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4DIK
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BU of 4dik by Molmil
Flavo Di-iron protein H90A mutant from Thermotoga maritima
Descriptor: CHLORIDE ION, FLAVOPROTEIN, MU-OXO-DIIRON
Authors:Fang, H, Caranto, J.D, Taylor, A.B, Hart, P.J, Kurtz Jr, D.M.
Deposit date:2012-01-31
Release date:2012-10-17
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Histidine ligand variants of a flavo-diiron protein: effects on structure and activities.
J.Biol.Inorg.Chem., 17, 2012
4DIL
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BU of 4dil by Molmil
Flavo Di-iron protein H90N mutant from Thermotoga maritima
Descriptor: CHLORIDE ION, FLAVOPROTEIN, MU-OXO-DIIRON
Authors:Fang, H, Caranto, J.D, Taylor, A.B, Hart, P.J, Kurtz, D.M.
Deposit date:2012-01-31
Release date:2012-10-17
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Histidine ligand variants of a flavo-diiron protein: effects on structure and activities.
J.Biol.Inorg.Chem., 17, 2012
6MVL
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BU of 6mvl by Molmil
Crystal structure of VISTA bound to a pH-selective antibody Fab fragment
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Antibody Fab fragment heavy chain, Antibody Fab fragment light chain, ...
Authors:Critton, D.A.
Deposit date:2018-10-26
Release date:2019-10-23
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:VISTA is an acidic pH-selective ligand for PSGL-1.
Nature, 574, 2019
5TWN
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BU of 5twn by Molmil
CRYSTAL STRUCTURE OF THE HEPATITIS C VIRUS NS5B RNA- DEPENDENT RNA POLYMERASE IN COMPLEX WITH 5-[3-(tert-butylcarbamoyl)phenyl]-6-(ethylamino)-2-(4-fluorophenyl)-N-methylfuro[2,3-b]pyridine-3-carboxamide
Descriptor: (2E)-3-(4-{[(1-{[(13-cyclohexyl-6-oxo-6,7-dihydro-5H-indolo[1,2-d][1,4]benzodiazepin-10-yl)carbonyl]amino}cyclopentyl)carbonyl]amino}phenyl)prop-2-enoic acid, 5-[3-(tert-butylcarbamoyl)phenyl]-6-(ethylamino)-2-(4-fluorophenyl)-N-methylfuro[2,3-b]pyridine-3-carboxamide, NS5B RNA- DEPENDENT RNA POLYMERASE, ...
Authors:Sheriff, S.
Deposit date:2016-11-14
Release date:2017-03-15
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.04 Å)
Cite:The discovery of a pan-genotypic, primer grip inhibitor of HCV NS5B polymerase.
Medchemcomm, 8, 2017
5TWM
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BU of 5twm by Molmil
CRYSTAL STRUCTURE OF THE HEPATITIS C VIRUS GENOTYPE 2A STRAIN JFH1 L30S NS5B RNA-DEPENDENT RNA POLYMERASE IN COMPLEX WITH 5-[3-(tert-butylcarbamoyl)phenyl]-6-(ethylamino)-2-(4-fluorophenyl)-N-methylfuro[2,3-b]pyridine-3-carboxamide
Descriptor: 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, 5-[3-(tert-butylcarbamoyl)phenyl]-6-(ethylamino)-2-(4-fluorophenyl)-N-methylfuro[2,3-b]pyridine-3-carboxamide, NS5B RNA-dependent RNA POLYMERASE, ...
Authors:Sheriff, S.
Deposit date:2016-11-14
Release date:2017-03-15
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:The discovery of a pan-genotypic, primer grip inhibitor of HCV NS5B polymerase.
Medchemcomm, 8, 2017
5QJ1
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BU of 5qj1 by Molmil
CRYSTAL STRUCTURE OF THE HEPATITIS C VIRUS GENOTYPE 2A STRAIN JFH1 L30S NS5B RNA-DEPENDENT RNA POLYMERASE IN COMPLEX WITH 6-(ethylamino)-2-(4-fluorophenyl)-5-(3-{[1-(5-fluoropyrimidin-2-yl)cyclopropyl]carbamoyl}-4-methoxyphenyl)-N-methyl-1-benzofuran-3-carboxamide
Descriptor: 6-(ethylamino)-2-(4-fluorophenyl)-5-(3-{[1-(5-fluoropyrimidin-2-yl)cyclopropyl]carbamoyl}-4-methoxyphenyl)-N-methyl-1-benzofuran-3-carboxamide, GLYCEROL, RNA-dependent RNA polymerase, ...
Authors:Sheriff, S.
Deposit date:2018-08-13
Release date:2018-11-21
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.17 Å)
Cite:Structure-Property Basis for Solving Transporter-Mediated Efflux and Pan-Genotypic Inhibition in HCV NS5B Inhibitors.
ACS Med Chem Lett, 9, 2018
5QJ0
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BU of 5qj0 by Molmil
CRYSTAL STRUCTURE OF THE HEPATITIS C VIRUS GENOTYPE 2A STRAIN JFH1 NS5B RNA-DEPENDENT RNA POLYMERASE IN COMPLEX WITH 6-[ethyl(methylsulfonyl)amino]-2-(4-fluorophenyl)-N-methyl-5-(3-{[1-(pyrimidin-2-yl)cyclopropyl]carbamoyl}phenyl)-1-benzofuran-3-carboxamide
Descriptor: 6-[ethyl(methylsulfonyl)amino]-2-(4-fluorophenyl)-N-methyl-5-(3-{[1-(pyrimidin-2-yl)cyclopropyl]carbamoyl}phenyl)-1-benzofuran-3-carboxamide, GLYCEROL, NONAETHYLENE GLYCOL, ...
Authors:Sheriff, S.
Deposit date:2018-08-13
Release date:2018-11-21
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Structure-Property Basis for Solving Transporter-Mediated Efflux and Pan-Genotypic Inhibition in HCV NS5B Inhibitors.
ACS Med Chem Lett, 9, 2018
5GP4
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BU of 5gp4 by Molmil
Lactobacillus brevis CGMCC 1306 Glutamate decarboxylase
Descriptor: Glutamate decarboxylase, PYRIDOXAL-5'-PHOSPHATE
Authors:Mei, L, Huang, J.
Deposit date:2016-07-31
Release date:2017-08-02
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.16 Å)
Cite:Lactobacillus brevis CGMCC 1306 glutamate decarboxylase: Crystal structure and functional analysis.
Biochem. Biophys. Res. Commun., 503, 2018
7MCF
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BU of 7mcf by Molmil
CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX WITH 2-{3-(1,4-dimethyl-1H-1,2,3-triazol-5-yl)-6-fluoro-5-[(S)-(3-fluoropyridin-2-yl)(oxan-4-yl)methyl]-5H-pyrido[3,2-b]indol-7-yl}propan-2-ol
Descriptor: 2-{3-(1,4-dimethyl-1H-1,2,3-triazol-5-yl)-6-fluoro-5-[(S)-(3-fluoropyridin-2-yl)(oxan-4-yl)methyl]-5H-pyrido[3,2-b]indol-7-yl}propan-2-ol, Bromodomain-containing protein 4
Authors:Sheriff, S.
Deposit date:2021-04-02
Release date:2021-05-26
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:Development of BET inhibitors as potential treatments for cancer: A search for structural diversity.
Bioorg.Med.Chem.Lett., 44, 2021
7MCE
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BU of 7mce by Molmil
CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX WITH 2-{(7P)-7-(1,4-dimethyl-1H-1,2,3-triazol-5-yl)-8-fluoro-5-[(S)-(oxan-4-yl)(phenyl)methyl]-5H-pyrido[3,2-b]indol-3-yl}propan-2-ol
Descriptor: 2-{(7P)-7-(1,4-dimethyl-1H-1,2,3-triazol-5-yl)-8-fluoro-5-[(S)-(oxan-4-yl)(phenyl)methyl]-5H-pyrido[3,2-b]indol-3-yl}propan-2-ol, Bromodomain-containing protein 4
Authors:Sheriff, S.
Deposit date:2021-04-02
Release date:2021-09-29
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Development of BET inhibitors as potential treatments for cancer: A new carboline chemotype.
Bioorg.Med.Chem.Lett., 51, 2021
2AI6
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BU of 2ai6 by Molmil
Solution structure of human phosphohistidine phosphatase 1
Descriptor: 14 kDa phosphohistidine phosphatase
Authors:Gong, W, Cui, G, Jin, C, Xia, B.
Deposit date:2005-07-29
Release date:2006-10-17
Last modified:2020-02-26
Method:SOLUTION NMR
Cite:Solution structure and catalytic mechanism of human protein histidine phosphatase 1.
Biochem.J., 418, 2009
5ZGE
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BU of 5zge by Molmil
Crystal structure of NDM-1 at pH5.5 (Bis-Tris) in complex with hydrolyzed ampicillin
Descriptor: (2R,4S)-2-[(R)-{[(2R)-2-amino-2-phenylacetyl]amino}(carboxy)methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid, HYDROXIDE ION, Metallo-beta-lactamase type 2, ...
Authors:Zhang, H, Hao, Q.
Deposit date:2018-03-08
Release date:2018-08-22
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1 Å)
Cite:Active-Site Conformational Fluctuations Promote the Enzymatic Activity of NDM-1.
Antimicrob. Agents Chemother., 62, 2018
5ZGU
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BU of 5zgu by Molmil
Crystal structure of NDM-1 at pH7.0 (HEPES) with 2 molecules per asymmetric unit
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, GLYCEROL, HYDROXIDE ION, ...
Authors:Zhang, H, Hao, Q.
Deposit date:2018-03-10
Release date:2018-08-22
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Active-Site Conformational Fluctuations Promote the Enzymatic Activity of NDM-1.
Antimicrob. Agents Chemother., 62, 2018
5ZGR
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BU of 5zgr by Molmil
Crystal structure of NDM-1 at pH7.3 (HEPES) in complex with hydrolyzed ampicillin
Descriptor: (2R,4S)-2-[(R)-{[(2R)-2-amino-2-phenylacetyl]amino}(carboxy)methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid, GLYCEROL, Metallo-beta-lactamase type 2, ...
Authors:Zhang, H, Hao, Q.
Deposit date:2018-03-10
Release date:2018-08-22
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:Active-Site Conformational Fluctuations Promote the Enzymatic Activity of NDM-1.
Antimicrob. Agents Chemother., 62, 2018
5ZGV
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BU of 5zgv by Molmil
Crystal structure of NDM-1 at pH8.0 (Tris) with 2 molecules per asymmetric unit
Descriptor: GLYCEROL, HYDROXIDE ION, Metallo-beta-lactamase type 2, ...
Authors:Zhang, H, Hao, Q.
Deposit date:2018-03-10
Release date:2018-08-22
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:Active-Site Conformational Fluctuations Promote the Enzymatic Activity of NDM-1.
Antimicrob. Agents Chemother., 62, 2018
5ZGY
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BU of 5zgy by Molmil
Crystal structure of NDM-1 at pH7.5 (Bis-Tris) with 1 molecule per asymmetric unit
Descriptor: 1,2-ETHANEDIOL, HYDROXIDE ION, Metallo-beta-lactamase type 2, ...
Authors:Zhang, H, Hao, Q.
Deposit date:2018-03-10
Release date:2018-08-22
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (0.95 Å)
Cite:Active-Site Conformational Fluctuations Promote the Enzymatic Activity of NDM-1.
Antimicrob. Agents Chemother., 62, 2018
5ZGW
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BU of 5zgw by Molmil
Crystal structure of NDM-1 at pH7.5 with 1 molecule per asymmetric unit (crystallized at succinate pH5.5 and soaked at succinate pH7.5)
Descriptor: 1,2-ETHANEDIOL, GLYCEROL, HYDROXIDE ION, ...
Authors:Zhang, H, Hao, Q.
Deposit date:2018-03-10
Release date:2018-08-22
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (0.95 Å)
Cite:Active-Site Conformational Fluctuations Promote the Enzymatic Activity of NDM-1.
Antimicrob. Agents Chemother., 62, 2018
5ZGT
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BU of 5zgt by Molmil
Crystal structure of NDM-1 at pH7.5 (HEPES) with 2 molecules per asymmetric unit
Descriptor: GLYCEROL, HYDROXIDE ION, Metallo-beta-lactamase type 2, ...
Authors:Zhang, H, Hao, Q.
Deposit date:2018-03-10
Release date:2018-08-22
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Active-Site Conformational Fluctuations Promote the Enzymatic Activity of NDM-1.
Antimicrob. Agents Chemother., 62, 2018
5ZH1
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BU of 5zh1 by Molmil
Crystal structure of NDM-1 at pH7.5 (Imidazole) with 2 molecules per asymmetric unit
Descriptor: HYDROXIDE ION, IMIDAZOLE, Metallo-beta-lactamase type 2, ...
Authors:Zhang, H, Hao, Q.
Deposit date:2018-03-10
Release date:2018-08-22
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:Active-Site Conformational Fluctuations Promote the Enzymatic Activity of NDM-1.
Antimicrob. Agents Chemother., 62, 2018
5ZGQ
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BU of 5zgq by Molmil
Crystal structure of NDM-1 at pH7.5 (Tris-HCl, (NH4)2SO4) in complex with hydrolyzed ampicillin
Descriptor: (2R,4S)-2-[(R)-{[(2R)-2-amino-2-phenylacetyl]amino}(carboxy)methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid, HYDROXIDE ION, Metallo-beta-lactamase type 2, ...
Authors:Zhang, H, Hao, Q.
Deposit date:2018-03-10
Release date:2018-08-22
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Active-Site Conformational Fluctuations Promote the Enzymatic Activity of NDM-1.
Antimicrob. Agents Chemother., 62, 2018
5ZGZ
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BU of 5zgz by Molmil
Crystal structure of NDM-1 at pH7.5 (Imidazole) with 1 molecule per asymmetric unit
Descriptor: 1,2-ETHANEDIOL, HYDROXIDE ION, Metallo-beta-lactamase type 2, ...
Authors:Zhang, H, Hao, Q.
Deposit date:2018-03-10
Release date:2018-08-22
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (0.95 Å)
Cite:Active-Site Conformational Fluctuations Promote the Enzymatic Activity of NDM-1.
Antimicrob. Agents Chemother., 62, 2018
5ZGF
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BU of 5zgf by Molmil
Crystal structure of NDM-1 Q123G mutant
Descriptor: HYDROXIDE ION, Metallo-beta-lactamase type 2, ZINC ION
Authors:Zhang, H, Hao, Q.
Deposit date:2018-03-08
Release date:2018-08-22
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Active-Site Conformational Fluctuations Promote the Enzymatic Activity of NDM-1.
Antimicrob. Agents Chemother., 62, 2018
5ZGI
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BU of 5zgi by Molmil
Crystal structure of NDM-1 at pH6.5 (Succinate) with 1 molecule per asymmetric unit
Descriptor: 1,2-ETHANEDIOL, HYDROXIDE ION, Metallo-beta-lactamase type 2, ...
Authors:Zhang, H, Hao, Q.
Deposit date:2018-03-09
Release date:2018-08-22
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (0.98 Å)
Cite:Active-Site Conformational Fluctuations Promote the Enzymatic Activity of NDM-1.
Antimicrob. Agents Chemother., 62, 2018
5ZGX
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BU of 5zgx by Molmil
Crystal structure of NDM-1 at pH7.5 (Succinate) with 1 molecule per asymmetric unit
Descriptor: 1,2-ETHANEDIOL, HYDROXIDE ION, Metallo-beta-lactamase type 2, ...
Authors:Zhang, H, Hao, Q.
Deposit date:2018-03-10
Release date:2018-08-22
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (0.95 Å)
Cite:Active-Site Conformational Fluctuations Promote the Enzymatic Activity of NDM-1.
Antimicrob. Agents Chemother., 62, 2018
5ZGP
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BU of 5zgp by Molmil
Crystal structure of NDM-1 at pH6.2 (Bis-Tris) in complex with hydrolyzed ampicillin
Descriptor: (2R,4S)-2-[(R)-{[(2R)-2-amino-2-phenylacetyl]amino}(carboxy)methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
Authors:Zhang, H, Hao, Q.
Deposit date:2018-03-10
Release date:2018-08-22
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:Active-Site Conformational Fluctuations Promote the Enzymatic Activity of NDM-1.
Antimicrob. Agents Chemother., 62, 2018

 

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