[ccp4bb] Postdoctoral position at RCSB PDB San Diego

[Jose Duarte]

We are seeking a talented, highly motivated postdoctoral researcher to join
the multidisciplinary team of the RCSB Protein Data Bank at UC San Diego,
San Diego Supercomputer Center (SDSC).

Fast and accurate search of protein structures by 3-dimensional shape in
large databases continues to be a challenge in Bioinformatics. This has
been exacerbated by the recent appearance of accurate methods to predict
protein structures from sequence. Those methods, when applied to existing
protein sequence databases, produce numbers of structures many orders of
magnitude larger than the existing experimental knowledge in the PDB
database. The incumbent will research novel methods to compare
macromolecular structures that are scalable to the deluge of structural
data and that work at any level: domains, chains or assemblies. The
ultimate aim of this project is to improve the findability of data in the
PDB by building the next generation search engine for structural molecular
biology.

Note, this position is reviewed annually on the basis of performance and
can be renewed.
Requirements

Qualifications: Ph.D. in one of the following research areas

   -

   Computer Science with a focus on Bioinformatics
   -

   Structural Bioinformatics, or related field with a focus on software
   development
   -

   Structural Biology with a focus on software development


Demonstrated proficiency in a high-level programming language, such as
Java, Python, C++, and experience with state of the art software
engineering tools. Strong skills in problem solving and algorithm design
are required. Experience in Machine Learning/Deep Learning is desirable. A
background in NoSQL database technologies would be beneficial. Experience
in development of modern web applications, user interface design, or
scientific visualization would also be a plus. We expect candidates to have
shown high productivity demonstrated by publications and contributions to
open source software projects. Excellent written and oral communication
skills are required.
About the RCSB

Our group supports RCSB Protein Data Bank (PDB) operations at UC San Diego.
The RCSB PDB (http://www.rcsb.org) represents the preeminent source of
experimentally determined macromolecular structure information for research
and teaching in fundamental biology, biomedicine, bioenergy, and
biotechnology. With millions of unique users from over 160 countries around
the world, the RCSB PDB is one of the leading worldwide Biological
Databases.



As an Organized Research Unit of UC San Diego, SDSC is a world leader in
data-intensive computing and cyber infrastructure, providing resources,
services, and expertise to the national research community, including
industry and academia.

http://www.rcsb.org/pages/jobs




Jose Duarte
RCSB Protein Data Bank
San Diego Supercomputing Center, UC San Diego
9500 Gilman Drive
La Jolla CA 92093, USA



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[ccp4bb] Survey in planning a national ultrahigh field (UHF) NMR network

[Monica Sekharan]

Dear Colleague,

We invite you to participate in the survey in planning a national ultrahigh
field (UHF) NMR network, with comprehensive resources and expertise, spanning
key areas of NSF interest, that will be accessible to the entire scientific
community within the United States. The main objective is to address the
urgent nationwide need for UHF NMR infrastructure, which is lacking in the US.
This goal will be achieved through the establishment of a national consortium
of ultrahigh field NMR facilities and an extensive NMR knowledge base of best
practices and technologies. This paradigm represents a consensus vision from
the magnetic resonance community, articulated in the 2015 NSF-sponsored
workshop “Ultrahigh Field NMR and MRI: Science at Crossroads'', and is also
strongly supported by the broader scientific community.

The first immediate step in this process is to establish science drivers and
nationwide needs in UHF NMR spectroscopy and the guiding principles for siting
UHF instrumentation in strategically located facilities across the United
States. To this end, we are soliciting your input through a comprehensive
survey that is sent to the NMR and broader community. If you are already an
NMR practitioner or interested in applying NMR in your research, please fill
out this survey, it will take only 10-15 minutes of your time. We invite both
US and international participants at any career stages and any type of
institutions (academia, government, private sector) to inform us on your NMR
needs and thoughts concerning future UHF infrastructure.

Survey link: https://sites.udel.edu/national-uhf-initiative/uhf-survey/
Password: 2022UHFsurvey%

The community’s input will be scrutinized by an independent committee
comprising world-renowned scientists who have expertise in NMR spectroscopy
or/and in large-scale scientific infrastructure operation and management. The
committee will establish recommendations for siting of UHF network
infrastructure nodes.

We greatly appreciate your time and input in this important process. Your
responses at your earliest convenience and no later than by July 15, 2022,
will be most helpful.

If you have any questions or would like to engage in further discussion,
please do not hesitate to reach out to any of us.

With best wishes,
Tatyana Polenova, Joanna Long, Jeff Hoch, Len Mueller, Bob Powers

___

Tatyana Polenova, Ph.D.
Professor
Department of Chemistry and Biochemistry
036 Brown Laboratories
University of Delaware
Newark, DE 19716 USA
tpole...@udel.edu



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Re: [ccp4bb] Diffraction Methods in Structural Biology - Gordon Research Conference - in-person! - July 24-29, 2022

[James Holton]

Oh, and if you are concerned about virus transmission at in-person 
conferences, you are not alone! I would not be going forward with this 
if I didn't feel sufficient controls were in place. To date, I ahve 
heard of no reporteed cases of transmission at GRC meetings, so I feel 
they are doing their job. Vaccination is required, and 
masking/distancing rules are not draconian but sensible. Outdoor dining 
is available, and room and board are included with registration.


I will also be bringing my air quality meters (CO2 and particulate) for 
monitoring how well the air is being replaced and filtered. If you don't 
already own such devices, I highly recommend them. Bring them on the 
plane, and be sure to keep your mask tight during boarding and 
un-boarding when air filtration is minimal. Exhaled breath has 100x the 
CO2 of outside air, and so makes a pessimistic proxy for how much of the 
ambient air was recently in someone else's lungs. If CO2 is high, filter 
it. Do that with HEPA filters, a mask, or both. PM2.5 and other particle 
counters reading zero means your HEPA filters are working. But, if CO2 
reads 400 ppm you are effectively outside.  We are scientists. We know 
how to do this.


The official GRC COVID-19 policies are detailed here:
https://www.grc.org/covid-19-protocols-and-travel-information/

the latest venue policies (Bates College) can be found here:
https://www.grc.org/_resources/common/userfiles/file/Bates%20&%20GRC-COVID%20and%20Venue%20Information%20.pdf

Looking forward to a safe and productive GRC!

-James Holton
MAD Scientist

On 5/7/2022 10:11 AM, James Holton wrote:

One more thing:

Some may also recall that in 2020 we were accepting tax-deductible 
donations to help attendees from underrepresented groups overcome the 
financial barriers to GRC attendance. Those funds are still available, 
and donations are also still possible. I ask that applicants who feel 
they may qualify please self-identify to me, off-list, in an email. It 
is my goal to bring as many diverse backgrounds and points of view as 
possible into this meeting, because that is what makes for the most 
productive discussions.


-James Holton
MAD Scientist


On 5/2/2022 12:35 PM, James Holton wrote:


Many of you may recall approximately 1000 years ago we were looking 
forward to getting together for another great Diffraction Methods 
GRC. Now, after a 4-year break, the meeting is on!
https://www.grc.org/diffraction-methods-in-structural-biology-conference/2022/ 



It will be in-person at Bates College in Lewiston, ME, USA, on July 
24-29 of 2022. Strange how it is strange to be considering meeting in 
person, but recent GRCs have proven they can be conducted safely. 
We've learned a lot about viruses in recent years, both in our lives 
and in our labs. Artificial Intelligence has come a long way, and the 
role of biological structure, and indeed science in general, is 
impacting the everyday lives of human beings more than ever before.


It is time we got together to talk about all this. Yes, we've gotten 
a lot of work done remotely, but some things just have to wait until 
you are face-to-face. Preferably over a Maine lobster dinner. GRCs 
are not about listening to talks, they are about the discussion that 
comes after. Newcomers and Veterans sharing and debating ideas until 
far too late at night. It is my sincere hope that fighting this 
virus, and looking toward a brighter future, will inspire even more 
visionary and collaborative ideas for the role structure will play in 
that future. I can't imagine a better theme of discussion for this 
next meeting.


-James Holton
MAD Scientist and Chair of the 2020/2022 Diffraction Methods GRC






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Re: [ccp4bb] Diffraction Methods in Structural Biology - Gordon Research Conference - in-person! - July 24-29, 2022

[James Holton]

OK folks!  Now is the time. Registration deadline for the Diffraction 
Methods GRC is tomorrow, July 3.


Please if you haven't registered yet but have only been accepted as an 
attendee, you need to actually pay registration or your application will 
be cancelled on July 5.  I'd hate to miss you!


If you need help paying for registration please do reach out to me 
off-list and I will let you know what kinds of assistance are 
available.  In some cases a financial need itself can qualify.


Cheers, and hope to see you there,

-James Holton
MAD Scientist


On 5/3/2022 7:35 AM, James Holton wrote:


Many of you may recall approximately 1000 years ago we were looking 
forward to getting together for another great Diffraction Methods GRC. 
Now, after a 4-year break, the meeting is on!
https://www.grc.org/diffraction-methods-in-structural-biology-conference/2022/ 



It will be in-person at Bates College in Lewiston, ME, USA, on July 
24-29 of 2022. Strange how it is strange to be considering meeting in 
person, but recent GRCs have proven they can be conducted safely. 
We've learned a lot about viruses in recent years, both in our lives 
and in our labs. Artificial Intelligence has come a long way, and the 
role of biological structure, and indeed science in general, is 
impacting the everyday lives of human beings more than ever before.


It is time we got together to talk about all this. Yes, we've gotten a 
lot of work done remotely, but some things just have to wait until you 
are face-to-face. Preferably over a Maine lobster dinner. GRCs are not 
about listening to talks, they are about the discussion that comes 
after. Newcomers and Veterans sharing and debating ideas until far too 
late at night. It is my sincere hope that fighting this virus, and 
looking toward a brighter future, will inspire even more visionary and 
collaborative ideas for the role structure will play in that future. I 
can't imagine a better theme of discussion for this next meeting.


-James Holton
MAD Scientist and Chair of the 2020/2022 Diffraction Methods GRC





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Re: [ccp4bb] Unidentified electron density

[Jon Cooper]

Hello, I wonder if it is disorder i.e. alternative conformations of the Asp and 
flexible Lys.

Do let us know your final interpretation as we don't often, or indeed ever, 
hear the final outcome of these mystery density competitions and I would love 
to learn more from them.

Cheers, Jon.C.

Sent from ProtonMail mobile

 Original Message 
On 30 Jun 2022, 08:03, Sayan Saha wrote:

> Dear All,
>
> I am trying to refine a protein structure. I observed an additional electron 
> density (Figures attached) connected to the aspartate residue.
>
> Any suggestion in this regard would be appreciated.
>
> With best regards,
> Sayan Saha.
>
> ---
>
> To unsubscribe from the CCP4BB list, click the following link:
> https://www.jiscmail.ac.uk/cgi-bin/WA-JISC.exe?SUBED1=CCP4BB=1



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[ccp4bb] Helmholtz Workshop on Integrative Structural Biology

[Manfred S. Weiss]

***

The Helmholtz-Zentrum Berlin (HZB) and the Max Delbruck Centre
for Molecular Medicine (MDC) are organizing a one-week training
workshop on methods and applications in Integrative Structural Biology
within the frame of the Helmholtz Cross Cutting Activity
"Structural Biology". The workshop's main focus is on sample preparation
for biophysical studies, X-ray crystallography, cryo-electron microscopy
and NMR including hands-on practical training. Lectures and keynote
presentations will illustrate state-of-the-art examples for the combination
of multiple structural biology techniques to study the structure and dynamics
of biologically important and challenging systems. The workshop will
take place in Berlin-Adlershof and in Berlin-Buch from Oct 08-14, 2022.

The workshop is aimed a PhD students and young postdoctoral researchers
who want to broaden their structural biology experience.

For more information and for application, please visit the site
https://www.helmholtz-berlin.de/events/helmholtz-training-workshop/index_en.html

With best regards
Uwe, Oli, Yvette and Manfred



--
Dr. Manfred S. Weiss
Macromolecular Crystallography
Helmholtz-Zentrum Berlin
Albert-Einstein-Str. 15
D-12489 Berlin
Germany



Helmholtz-Zentrum Berlin für Materialien und Energie GmbH

Mitglied der Hermann von Helmholtz-Gemeinschaft Deutscher Forschungszentren e.V.

Aufsichtsrat: Vorsitzender Dr. Volkmar Dietz, stv. Vorsitzende Dr. Jutta 
Koch-Unterseher
Geschäftsführung: Prof. Dr. Bernd Rech, Thomas Frederking

Sitz Berlin, AG Charlottenburg, 89 HRB 5583

Postadresse:
Hahn-Meitner-Platz 1
14109 Berlin
Deutschland



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Re: [ccp4bb] Easy/Silly question

[Krieger, James M]

Oh, yes. Sorry.

From: Robbie Joosten 
Sent: Friday, July 1, 2022 10:02 AM
To: Krieger, James M ; CCP4BB@JISCMAIL.AC.UK 

Subject: RE: [ccp4bb] Easy/Silly question

BMA is mannose, not maltose

> -Original Message-
> From: CCP4 bulletin board  On Behalf Of Krieger,
> James M
> Sent: Friday, July 1, 2022 09:59
> To: CCP4BB@JISCMAIL.AC.UK
> Subject: Re: [ccp4bb] Easy/Silly question
>
> How about BMA for beta-D-maltose?
>
>
>On 1 Jul 2022, at 05:55, Nigel Moriarty  wrote:
>
>
>
>
>Yes, MAL was obsoleted about 2 years ago.
>
>Cheers
>
>
>Nigel
>
>
>---
>Nigel W. Moriarty
>Building 33R0349, Molecular Biophysics and Integrated Bioimaging
>Lawrence Berkeley National Laboratory
>Berkeley, CA 94720-8235
>Phone : 510-486-5709 Email : nwmoria...@lbl.gov
>Fax   : 510-486-5909  Web  : CCI.LBL.gov
>  bl.gov%2F=05%7C01%7Ckriegerj%40PITT.EDU%7Cc0630e52bec94d171
> a4708da5b1dc6b9%7C9ef9f489e0a04eeb87cc3a526112fd0d%7C1%7C0%7C6
> 37922481423292553%7CUnknown%7CTWFpbGZsb3d8eyJWIjoiMC4wLjAwM
> DAiLCJQIjoiV2luMzIiLCJBTiI6Ik1haWwiLCJXVCI6Mn0%3D%7C3000%7C%7C%7
> C=PlWqacZfxRwjFqAdkMmtlz92YFpBwhFRBxa13p4wFx4%3D
> d=0>
>ORCID : orcid.org/-0001-8857-9464
>  id.org%2F-0001-8857-
> 9464=05%7C01%7Ckriegerj%40PITT.EDU%7Cc0630e52bec94d171a470
> 8da5b1dc6b9%7C9ef9f489e0a04eeb87cc3a526112fd0d%7C1%7C0%7C63792
> 2481423292553%7CUnknown%7CTWFpbGZsb3d8eyJWIjoiMC4wLjAwMDAiL
> CJQIjoiV2luMzIiLCJBTiI6Ik1haWwiLCJXVCI6Mn0%3D%7C3000%7C%7C%7C
> data=cOI56DuPY4K95dxf0HIIfAZ7mgoLvLLCxD7M%2BXjqa4g%3D=
> 0>
>
>
>
>On Thu, Jun 30, 2022 at 9:26 PM Diana Tomchick
>   > wrote:
>
>
>It's GLC
>
>otherwise known as 4-ortho-alpha-D-Glucopyranosyl-D-
> glucose.
>
>See PDB ID 1ANF
>
>also
>
>
> https://nam12.safelinks.protection.outlook.com/?url=https%3A%2F%2Fen.wikipedia.org%2Fwiki%2FMaltosedata=05%7C01%7CKRIEGERJ%40PITT.EDU%7Cd8813ad1de8c47af33be08da5b3804a0%7C9ef9f489e0a04eeb87cc3a526112fd0d%7C1%7C0%7C637922593564961025%7CUnknown%7CTWFpbGZsb3d8eyJWIjoiMC4wLjAwMDAiLCJQIjoiV2luMzIiLCJBTiI6Ik1haWwiLCJXVCI6Mn0%3D%7C3000%7C%7C%7Csdata=dqzT33PxgoSZOQQKu0FLJEt1%2FxM3X74qY%2FyBcliepgY%3Dreserved=0
>  wikipedia.org%2Fwiki%2FMaltose=05%7C01%7Ckriegerj%40PITT.EDU
> %7Cc0630e52bec94d171a4708da5b1dc6b9%7C9ef9f489e0a04eeb87cc3a526
> 112fd0d%7C1%7C0%7C637922481423292553%7CUnknown%7CTWFpbGZsb3
> d8eyJWIjoiMC4wLjAwMDAiLCJQIjoiV2luMzIiLCJBTiI6Ik1haWwiLCJXVCI6Mn0
> %3D%7C3000%7C%7C%7C=6w8tDRVJN2wdTOoumoljHoDa3VDudJIRg
> H7QtK8MXpw%3D=0>
>
>
>  wikipedia.org%2Fwiki%2FMaltose=05%7C01%7Ckriegerj%40PITT.EDU
> %7Cc0630e52bec94d171a4708da5b1dc6b9%7C9ef9f489e0a04eeb87cc3a526
> 112fd0d%7C1%7C0%7C637922481423292553%7CUnknown%7CTWFpbGZsb3
> d8eyJWIjoiMC4wLjAwMDAiLCJQIjoiV2luMzIiLCJBTiI6Ik1haWwiLCJXVCI6Mn0
> %3D%7C3000%7C%7C%7C=6w8tDRVJN2wdTOoumoljHoDa3VDudJIRg
> H7QtK8MXpw%3D=0>
> Maltose - Wikipedia
>  wikipedia.org%2Fwiki%2FMaltose=05%7C01%7Ckriegerj%40PITT.EDU
> %7Cc0630e52bec94d171a4708da5b1dc6b9%7C9ef9f489e0a04eeb87cc3a526
> 112fd0d%7C1%7C0%7C637922481423292553%7CUnknown%7CTWFpbGZsb3
> d8eyJWIjoiMC4wLjAwMDAiLCJQIjoiV2luMzIiLCJBTiI6Ik1haWwiLCJXVCI6Mn0
> %3D%7C3000%7C%7C%7C=6w8tDRVJN2wdTOoumoljHoDa3VDudJIRg
> H7QtK8MXpw%3D=0>
> Maltose (/ ˈ m ɔː l t oʊ s / or / ˈ m ɔː l t oʊ z /), also known as 
> maltobiose or
> malt sugar, is a disaccharide formed from two units of glucose joined with an
> α(1→4) bond.In the isomer isomaltose, the two glucose molecules are joined
> with an α(1→6) bond.Maltose is the two-unit member of the amylose
> homologous series, the key structural motif of starch.When alpha-amylase
> breaks ...
> en.wikipedia.org
>  wikipedia.org%2F=05%7C01%7Ckriegerj%40PITT.EDU%7Cc0630e52bec
> 94d171a4708da5b1dc6b9%7C9ef9f489e0a04eeb87cc3a526112fd0d%7C1%7C
> 0%7C637922481423292553%7CUnknown%7CTWFpbGZsb3d8eyJWIjoiMC4w
> LjAwMDAiLCJQIjoiV2luMzIiLCJBTiI6Ik1haWwiLCJXVCI6Mn0%3D%7C3000%7C
> %7C%7C=q6tgL29oHtiVRlDicK39FdGgKI3JcDyUXHxxfLLBfAA%3D
> rved=0>
>Diana
>
>
>**
>Diana R. Tomchick

Re: [ccp4bb] Easy/Silly question

[Casper Wilkens]

Hello,

You can build it from the two monomers in Coot.

All the best,
Casper

From: CCP4 bulletin board  On Behalf Of Paul Emsley
Sent: 1. juli 2022 06:17
To: CCP4BB@JISCMAIL.AC.UK
Subject: Re: [ccp4bb] Easy/Silly question



On 01/07/2022 04:50, Joel Tyndall wrote:
Hi folks,

I frustratingly cant find “maltose” as a ligand in the pdb or ccp4 database. 
Does any one have the code for the ligand? Surely its been used before.




In Coot:

File -> Search Monomer Library -> "maltose" -> Search

-> MAL





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Re: [ccp4bb] Easy/Silly question

[Robbie Joosten]

BMA is mannose, not maltose

> -Original Message-
> From: CCP4 bulletin board  On Behalf Of Krieger,
> James M
> Sent: Friday, July 1, 2022 09:59
> To: CCP4BB@JISCMAIL.AC.UK
> Subject: Re: [ccp4bb] Easy/Silly question
> 
> How about BMA for beta-D-maltose?
> 
> 
>   On 1 Jul 2022, at 05:55, Nigel Moriarty  wrote:
> 
> 
> 
>   
>   Yes, MAL was obsoleted about 2 years ago.
> 
>   Cheers
> 
> 
>   Nigel
> 
> 
>   ---
>   Nigel W. Moriarty
>   Building 33R0349, Molecular Biophysics and Integrated Bioimaging
>   Lawrence Berkeley National Laboratory
>   Berkeley, CA 94720-8235
>   Phone : 510-486-5709 Email : nwmoria...@lbl.gov
>   Fax   : 510-486-5909  Web  : CCI.LBL.gov
>  bl.gov%2F=05%7C01%7Ckriegerj%40PITT.EDU%7Cc0630e52bec94d171
> a4708da5b1dc6b9%7C9ef9f489e0a04eeb87cc3a526112fd0d%7C1%7C0%7C6
> 37922481423292553%7CUnknown%7CTWFpbGZsb3d8eyJWIjoiMC4wLjAwM
> DAiLCJQIjoiV2luMzIiLCJBTiI6Ik1haWwiLCJXVCI6Mn0%3D%7C3000%7C%7C%7
> C=PlWqacZfxRwjFqAdkMmtlz92YFpBwhFRBxa13p4wFx4%3D
> d=0>
>   ORCID : orcid.org/-0001-8857-9464
>  id.org%2F-0001-8857-
> 9464=05%7C01%7Ckriegerj%40PITT.EDU%7Cc0630e52bec94d171a470
> 8da5b1dc6b9%7C9ef9f489e0a04eeb87cc3a526112fd0d%7C1%7C0%7C63792
> 2481423292553%7CUnknown%7CTWFpbGZsb3d8eyJWIjoiMC4wLjAwMDAiL
> CJQIjoiV2luMzIiLCJBTiI6Ik1haWwiLCJXVCI6Mn0%3D%7C3000%7C%7C%7C
> data=cOI56DuPY4K95dxf0HIIfAZ7mgoLvLLCxD7M%2BXjqa4g%3D=
> 0>
> 
> 
> 
>   On Thu, Jun 30, 2022 at 9:26 PM Diana Tomchick
>   > wrote:
> 
> 
>   It's GLC
> 
>   otherwise known as 4-ortho-alpha-D-Glucopyranosyl-D-
> glucose.
> 
>   See PDB ID 1ANF
> 
>   also
> 
>   https://en.wikipedia.org/wiki/Maltose
>  wikipedia.org%2Fwiki%2FMaltose=05%7C01%7Ckriegerj%40PITT.EDU
> %7Cc0630e52bec94d171a4708da5b1dc6b9%7C9ef9f489e0a04eeb87cc3a526
> 112fd0d%7C1%7C0%7C637922481423292553%7CUnknown%7CTWFpbGZsb3
> d8eyJWIjoiMC4wLjAwMDAiLCJQIjoiV2luMzIiLCJBTiI6Ik1haWwiLCJXVCI6Mn0
> %3D%7C3000%7C%7C%7C=6w8tDRVJN2wdTOoumoljHoDa3VDudJIRg
> H7QtK8MXpw%3D=0>
> 
> 
>  wikipedia.org%2Fwiki%2FMaltose=05%7C01%7Ckriegerj%40PITT.EDU
> %7Cc0630e52bec94d171a4708da5b1dc6b9%7C9ef9f489e0a04eeb87cc3a526
> 112fd0d%7C1%7C0%7C637922481423292553%7CUnknown%7CTWFpbGZsb3
> d8eyJWIjoiMC4wLjAwMDAiLCJQIjoiV2luMzIiLCJBTiI6Ik1haWwiLCJXVCI6Mn0
> %3D%7C3000%7C%7C%7C=6w8tDRVJN2wdTOoumoljHoDa3VDudJIRg
> H7QtK8MXpw%3D=0>
> Maltose - Wikipedia
>  wikipedia.org%2Fwiki%2FMaltose=05%7C01%7Ckriegerj%40PITT.EDU
> %7Cc0630e52bec94d171a4708da5b1dc6b9%7C9ef9f489e0a04eeb87cc3a526
> 112fd0d%7C1%7C0%7C637922481423292553%7CUnknown%7CTWFpbGZsb3
> d8eyJWIjoiMC4wLjAwMDAiLCJQIjoiV2luMzIiLCJBTiI6Ik1haWwiLCJXVCI6Mn0
> %3D%7C3000%7C%7C%7C=6w8tDRVJN2wdTOoumoljHoDa3VDudJIRg
> H7QtK8MXpw%3D=0>
> Maltose (/ ˈ m ɔː l t oʊ s / or / ˈ m ɔː l t oʊ z /), also known as 
> maltobiose or
> malt sugar, is a disaccharide formed from two units of glucose joined with an
> α(1→4) bond.In the isomer isomaltose, the two glucose molecules are joined
> with an α(1→6) bond.Maltose is the two-unit member of the amylose
> homologous series, the key structural motif of starch.When alpha-amylase
> breaks ...
> en.wikipedia.org
>  wikipedia.org%2F=05%7C01%7Ckriegerj%40PITT.EDU%7Cc0630e52bec
> 94d171a4708da5b1dc6b9%7C9ef9f489e0a04eeb87cc3a526112fd0d%7C1%7C
> 0%7C637922481423292553%7CUnknown%7CTWFpbGZsb3d8eyJWIjoiMC4w
> LjAwMDAiLCJQIjoiV2luMzIiLCJBTiI6Ik1haWwiLCJXVCI6Mn0%3D%7C3000%7C
> %7C%7C=q6tgL29oHtiVRlDicK39FdGgKI3JcDyUXHxxfLLBfAA%3D
> rved=0>
>   Diana
> 
> 
>   **
>   Diana R. Tomchick
>   Professor
>   Departments of Biophysics and Biochemistry
>   UT Southwestern Medical Center
>   5323 Harry Hines Blvd.
>   Rm. ND10.214A
>   Dallas, TX 75390-8816
>   diana.tomch...@utsouthwestern.edu
>   (214) 645-6383 (phone)
>   (214) 645-6353 (fax)
> 
> 
>   From: CCP4 bulletin board   > on behalf of Joel Tyndall
> mailto:joel.tynd...@otago.ac.nz> >
>   Sent: Thursday, June 30, 2022 10:50 PM
>   To: CCP4BB@JISCMAIL.AC.UK
>     >
>   Subject: [ccp4bb] Easy/Silly question
> 
> 
> 
> 
>   EXTERNAL MAIL
> 
> 
> 
>   Hi folks,
> 
> 
> 
>   I 

Re: [ccp4bb] Easy/Silly question

[Krieger, James M]

How about BMA for beta-D-maltose?

On 1 Jul 2022, at 05:55, Nigel Moriarty  wrote:


Yes, MAL was obsoleted about 2 years ago.

Cheers

Nigel

---
Nigel W. Moriarty
Building 33R0349, Molecular Biophysics and Integrated Bioimaging
Lawrence Berkeley National Laboratory
Berkeley, CA 94720-8235
Phone : 510-486-5709 Email : nwmoria...@lbl.gov
Fax   : 510-486-5909  Web  : 
CCI.LBL.gov
ORCID : 
orcid.org/-0001-8857-9464


On Thu, Jun 30, 2022 at 9:26 PM Diana Tomchick 
mailto:diana.tomch...@utsouthwestern.edu>> 
wrote:
It's GLC

otherwise known as 4-ortho-alpha-D-Glucopyranosyl-D-glucose.

See PDB ID 1ANF

also

https://en.wikipedia.org/wiki/Maltose
[https://upload.wikimedia.org/wikipedia/commons/thumb/6/6a/Maltose2.svg/1200px-Maltose2.svg.png]
Maltose - 
Wikipedia
Maltose (/ ˈ m ɔː l t oʊ s / or / ˈ m ɔː l t oʊ z /), also known as maltobiose 
or malt sugar, is a disaccharide formed from two units of glucose joined with 
an α(1→4) bond.In the isomer isomaltose, the two glucose molecules are joined 
with an α(1→6) bond.Maltose is the two-unit member of the amylose homologous 
series, the key structural motif of starch.When alpha-amylase breaks ...
en.wikipedia.org
Diana

**
Diana R. Tomchick
Professor
Departments of Biophysics and Biochemistry
UT Southwestern Medical Center
5323 Harry Hines Blvd.
Rm. ND10.214A
Dallas, TX 75390-8816
diana.tomch...@utsouthwestern.edu
(214) 645-6383 (phone)
(214) 645-6353 (fax)

From: CCP4 bulletin board mailto:CCP4BB@JISCMAIL.AC.UK>> 
on behalf of Joel Tyndall 
mailto:joel.tynd...@otago.ac.nz>>
Sent: Thursday, June 30, 2022 10:50 PM
To: CCP4BB@JISCMAIL.AC.UK 
mailto:CCP4BB@JISCMAIL.AC.UK>>
Subject: [ccp4bb] Easy/Silly question


EXTERNAL MAIL

Hi folks,



I frustratingly cant find “maltose” as a ligand in the pdb or ccp4 database. 
Does any one have the code for the ligand? Surely its been used before.



Thanks in advance



J



Joel Tyndall | BSc(Hons) PhD

Associate Professor in Medicinal Chemistry
School of Pharmacy | He Rau Kawakawa
University of Otago | Te Whare Wānanga o Otāgo

PO Box 56 9054

Dunedin | Ōtepoti

New Zealand | Aotearoa

Ph: 64 3 479 7293
Skype: jtyndall

Website | 
pharmacy.otago.ac.nz







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