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4CGF
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BU of 4cgf by Molmil
Interrogating HIV integrase for compounds that bind- a SAMPL challenge
Descriptor: 1,2-ETHANEDIOL, 5-{[(3S)-2-oxo-2,3-dihydro-1H-indol-3-yl]methyl}-1,3-benzodioxole-4-carboxylic acid, ACETATE ION, ...
Authors:Peat, T.S.
Deposit date:2013-11-23
Release date:2013-12-04
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Interrogating HIV Integrase for Compounds that Bind- a Sampl Challenge.
J.Comput.Aided Mol.Des., 28, 2014
4CJT
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BU of 4cjt by Molmil
Interrogating HIV integrase for compounds that bind- a SAMPL challenge
Descriptor: 1,2-benzoxazol-3-amine, ACETATE ION, GLYCEROL, ...
Authors:Peat, T.S.
Deposit date:2013-12-23
Release date:2014-01-08
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:Interrogating HIV Integrase for Compounds that Bind- a Sampl Challenge.
J.Comput.Aided Mol.Des., 28, 2014
4BZP
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BU of 4bzp by Molmil
Structure of the Mycobacterium tuberculosis APS kinase CysC in complex with ADP
Descriptor: 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, BIFUNCTIONAL ENZYME CYSN/CYSC
Authors:Poyraz, O, Lohkamp, B, Schnell, R, Schneider, G.
Deposit date:2013-07-29
Release date:2014-08-06
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Crystal Structures of the Kinase Domain of the Sulfate-Activating Complex in Mycobacterium Tuberculosis.
Plos One, 10, 2015
5T8S
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BU of 5t8s by Molmil
Crystal Structure of a S-adenosylmethionine Synthase from Neisseria gonorrhoeae with bound S-adenosylmethionine, AMP, Pyrophosphate, Phosphate, and Magnesium
Descriptor: ADENOSINE MONOPHOSPHATE, MAGNESIUM ION, PHOSPHATE ION, ...
Authors:Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2016-09-08
Release date:2016-09-28
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal Structure of a S-adenosylmethionine Synthase from Neisseria gonorrhoeae with bound S-adenosylmethionine, AMP, Pyrophosphate, Phosphate, and Magnesium
to be published
5T8T
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BU of 5t8t by Molmil
Crystal Structure of a S-adenosylmethionine Synthase from Neisseria gonorrhoeae with bound AMP and Magnesium
Descriptor: ADENOSINE MONOPHOSPHATE, MAGNESIUM ION, S-adenosylmethionine synthase
Authors:Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2016-09-08
Release date:2016-09-28
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal Structure of a S-adenosylmethionine Synthase from Neisseria gonorrhoeae with bound AMP and Magnesium
to be published
7LDF
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BU of 7ldf by Molmil
High resolution NMR solution structure of a de novo designed minimal thioredoxin fold protein
Descriptor: Minimal thioredoxin fold protein, ems_thioM_802
Authors:Urbauer, J.L, Strauch, E.M.
Deposit date:2021-01-13
Release date:2022-07-13
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Sampling of structure and sequence space of small protein folds.
Nat Commun, 13, 2022
7FJ8
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BU of 7fj8 by Molmil
KpAckA (PduW) with AMP complex structure
Descriptor: ADENOSINE MONOPHOSPHATE, Probable propionate kinase
Authors:Wu, W, Zhang, Q, Bartlam, M.
Deposit date:2021-08-03
Release date:2022-08-10
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:KpAckA (PduW) with AMP complex structure
To Be Published
6EDT
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BU of 6edt by Molmil
Mycobacterium tuberculosis RNAP open promoter complex with RbpA/CarD and AP3 promoter
Descriptor: DNA (65-MER), DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, ...
Authors:Darst, S.A, Campbell, E.A, Boyaci Selcuk, H, Chen, J.
Deposit date:2018-08-10
Release date:2018-11-21
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY
Cite:Structures of an RNA polymerase promoter melting intermediate elucidate DNA unwinding.
Nature, 565, 2019
7Z6H
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BU of 7z6h by Molmil
Structure of DNA-bound human RAD17-RFC clamp loader and 9-1-1 checkpoint clamp
Descriptor: Cell cycle checkpoint control protein RAD9A, Cell cycle checkpoint protein RAD1,Cell cycle checkpoint protein RAD17, Checkpoint protein HUS1, ...
Authors:Day, M, Oliver, A.W, Pearl, L.H.
Deposit date:2022-03-11
Release date:2022-05-04
Last modified:2022-08-31
Method:ELECTRON MICROSCOPY (3.59 Å)
Cite:Structure of the human RAD17-RFC clamp loader and 9-1-1 checkpoint clamp bound to a dsDNA-ssDNA junction.
Nucleic Acids Res., 50, 2022
1U7S
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BU of 1u7s by Molmil
Crystal structure of Native Sperm Whale myoglobin from low ionic strength enviroment (Form 1)
Descriptor: Myoglobin, PROTOPORPHYRIN IX CONTAINING FE
Authors:Zhang, W, Phillips Jr, G.N.
Deposit date:2004-08-04
Release date:2005-07-19
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Sampling of the native conformational ensemble of myoglobin via structures in different crystalline environments.
Proteins, 70, 2008
8GJ3
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BU of 8gj3 by Molmil
E. coli clamp loader on primed template DNA
Descriptor: ADENOSINE-5'-DIPHOSPHATE, DNA polymerase III subunit delta, DNA polymerase III subunit delta', ...
Authors:Oakley, A.J, Xu, Z.-Q, Dixon, N.E.
Deposit date:2023-03-14
Release date:2024-03-27
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Structural characterisation of the complete cycle of sliding clamp loading in Escherichia coli.
Nat Commun, 15, 2024
6EE8
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BU of 6ee8 by Molmil
Mycobacterium tuberculosis RNAP promoter unwinding intermediate complex with RbpA/CarD and AP3 promoter
Descriptor: DNA (60-MER), DNA (65-MER), DNA-directed RNA polymerase subunit alpha, ...
Authors:Darst, S.A, Campbell, E.A, Boyaci Selcuk, H, Chen, J.
Deposit date:2018-08-13
Release date:2018-11-21
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (3.92 Å)
Cite:Structures of an RNA polymerase promoter melting intermediate elucidate DNA unwinding.
Nature, 565, 2019
7N8W
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BU of 7n8w by Molmil
Crystal structure of ERI2 nuclease bound to rAMP
Descriptor: 1,2-ETHANEDIOL, ADENOSINE MONOPHOSPHATE, ERI1 exoribonuclease 2, ...
Authors:Thapar, R, Arvai, A.S, Tainer, J.A.
Deposit date:2021-06-15
Release date:2022-07-06
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Crystal structure of ERI2 nuclease bound to rAMP
To Be Published
8QEZ
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BU of 8qez by Molmil
Crystal structure of the AMPA receptor GluA2-L504Y-N775S ligand binding domain in complex with L-glutamate and positive allosteric modulator BPAM395 at 1.55A resolution
Descriptor: 6-chloranyl-4-cyclopropyl-2,3-dihydrothieno[3,2-e][1,2,4]thiadiazine 1,1-dioxide, ACETATE ION, CACODYLATE ION, ...
Authors:Dorosz, J, Laulumaa, S, Frydenvang, K, Kastrup, J.S.
Deposit date:2023-09-01
Release date:2023-12-27
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Exploring thienothiadiazine dioxides as isosteric analogues of benzo- and pyridothiadiazine dioxides in the search of new AMPA and kainate receptor positive allosteric modulators.
Eur.J.Med.Chem., 264, 2023
3AV3
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BU of 3av3 by Molmil
Crystal structure of glycinamide ribonucleotide transformylase 1 from Geobacillus kaustophilus
Descriptor: MAGNESIUM ION, Phosphoribosylglycinamide formyltransferase
Authors:Kanagawa, M, Baba, S, Nakagawa, N, Ebihara, A, Kuramitsu, S, Yokoyama, S, Sampei, G, Kawai, G, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2011-02-18
Release date:2012-03-07
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structures and reaction mechanisms of the two related enzymes, PurN and PurU.
J.Biochem., 154, 2013
6OMF
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BU of 6omf by Molmil
CryoEM structure of SigmaS-transcription initiation complex with activator Crl
Descriptor: DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ...
Authors:Jaramillo Cartagena, A, Darst, S.A, Campbell, E.A.
Deposit date:2019-04-18
Release date:2019-08-28
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (3.26 Å)
Cite:Structural basis for transcription activation by Crl through tethering of sigmaSand RNA polymerase.
Proc.Natl.Acad.Sci.USA, 116, 2019
3NW5
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BU of 3nw5 by Molmil
Crystal structure of insulin-like growth factor 1 receptor (IGF-1R-WT) complex with a carbon-linked proline isostere inhibitor (11B)
Descriptor: Insulin-like growth factor 1 receptor, N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-{(2R)-1-[(6-fluoropyridin-3-yl)carbonyl]pyrrolidin-2-yl}pyrrolo[2,1-f][1,2,4]triazin-4-amine
Authors:Sack, J.S.
Deposit date:2010-07-09
Release date:2010-07-28
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:Proline isosteres in a series of 2,4-disubstituted pyrrolo[1,2-f][1,2,4]triazine inhibitors of IGF-1R kinase and IR kinase.
Bioorg.Med.Chem.Lett., 20, 2010
3NW6
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BU of 3nw6 by Molmil
Crystal structure of insulin-like growth factor 1 receptor (IGF-1R-WT) complex with a carbon-linked proline isostere inhibitor (11A)
Descriptor: Insulin-like growth factor 1 receptor, N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-{(2S)-1-[(6-fluoropyridin-3-yl)carbonyl]pyrrolidin-2-yl}pyrrolo[2,1-f][1,2,4]triazin-4-amine
Authors:Sack, J.S.
Deposit date:2010-07-09
Release date:2010-07-28
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Proline isosteres in a series of 2,4-disubstituted pyrrolo[1,2-f][1,2,4]triazine inhibitors of IGF-1R kinase and IR kinase.
Bioorg.Med.Chem.Lett., 20, 2010
6OUL
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BU of 6oul by Molmil
Cryo-EM structure of Escherichia coli RNAP polymerase bound to rpsTP2 promoter DNA
Descriptor: CHAPSO, DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, ...
Authors:Chen, J, Chiu, C.E, Campbell, E.A, Darst, S.A.
Deposit date:2019-05-04
Release date:2020-02-26
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:E. coliTraR allosterically regulates transcription initiation by altering RNA polymerase conformation.
Elife, 8, 2019
6P1K
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BU of 6p1k by Molmil
Cryo-EM structure of Escherichia coli sigma70 bound RNAP polymerase holoenzyme
Descriptor: DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ...
Authors:Chen, J, Chiu, C.E, Campbell, E.A, Darst, S.A.
Deposit date:2019-05-20
Release date:2020-02-26
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (4.05 Å)
Cite:E. coliTraR allosterically regulates transcription initiation by altering RNA polymerase conformation.
Elife, 8, 2019
8QUV
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BU of 8quv by Molmil
Crystal structure of chlorite dismutase at 3000 eV with no absorption corrections
Descriptor: CHLORIDE ION, Chlorite Dismutase, GLYCEROL, ...
Authors:Duman, R, Wagner, A, Kamps, J, Orville, A.
Deposit date:2023-10-17
Release date:2024-06-19
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Ray-tracing analytical absorption correction for X-ray crystallography based on tomographic reconstructions.
J.Appl.Crystallogr., 57, 2024
8QVB
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BU of 8qvb by Molmil
Crystal structure of chlorite dismutase at 3000 eV based on a combination of spherical harmonics and analytical absorption corrections
Descriptor: CHLORIDE ION, Chlorite Dismutase, GLYCEROL, ...
Authors:Duman, R, Wagner, A, Kamps, J, Orville, A.
Deposit date:2023-10-17
Release date:2024-06-19
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Ray-tracing analytical absorption correction for X-ray crystallography based on tomographic reconstructions.
J.Appl.Crystallogr., 57, 2024
8QUU
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BU of 8quu by Molmil
Crystal structure of chlorite dismutase at 3000 eV based on spherical harmonics absorption corrections
Descriptor: CHLORIDE ION, Chlorite Dismutase, GLYCEROL, ...
Authors:Duman, R, Wagner, A, Kamps, J, Orville, A.
Deposit date:2023-10-17
Release date:2024-06-19
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Ray-tracing analytical absorption correction for X-ray crystallography based on tomographic reconstructions.
J.Appl.Crystallogr., 57, 2024
8QUZ
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BU of 8quz by Molmil
Crystal structure of chlorite dismutase at 3000 eV based on analytical absorption corrections
Descriptor: CHLORIDE ION, Chlorite Dismutase, GLYCEROL, ...
Authors:Duman, R, Wagner, A, Kamps, J, Orville, A.
Deposit date:2023-10-17
Release date:2024-07-03
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Ray-tracing analytical absorption correction for X-ray crystallography based on tomographic reconstructions.
J.Appl.Crystallogr., 57, 2024
7Q2Z
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BU of 7q2z by Molmil
Cryo-EM structure of S.cerevisiae condensin Ycg1-Brn1-DNA complex
Descriptor: Condensin complex subunit 2, Condensin complex subunit 3, DNA
Authors:Lee, B.-G, Rhodes, J, Lowe, J.
Deposit date:2021-10-26
Release date:2022-04-06
Last modified:2024-07-17
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Clamping of DNA shuts the condensin neck gate.
Proc.Natl.Acad.Sci.USA, 119, 2022

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數據於2024-11-06公開中

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