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6JV4
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BU of 6jv4 by Molmil
Crystal structure of metallo-beta-lactamase VMB-1
分子名称: CITRIC ACID, VMB-1, ZINC ION
著者Cheng, Q, Chen, S.
登録日2019-04-15
公開日2019-11-27
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Genetic and Biochemical Characterization of VMB-1, a Novel Metallo-beta-Lactamase Encoded by a Conjugative, Broad-Host Range IncC Plasmid from Vibrio spp.
Adv Biosyst, 4, 2020
4XDZ
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BU of 4xdz by Molmil
Holo structure of ketol-acid reductoisomerase from Ignisphaera aggregans
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, GLYCEROL, Ketol-acid reductoisomerase, ...
著者Cahn, J.K.B, Brinkmann-Chen, S, Arnold, F.H.
登録日2014-12-20
公開日2015-04-22
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献Cofactor specificity motifs and the induced fit mechanism in class I ketol-acid reductoisomerases.
Biochem.J., 468, 2015
4XDY
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Structure of NADH-preferring ketol-acid reductoisomerase from an uncultured archean
分子名称: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, GLYCEROL, Ketol-acid reductoisomerase, ...
著者Cahn, J.K.B, Brinkmann-Chen, S, Arnold, F.H.
登録日2014-12-20
公開日2015-04-22
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.535 Å)
主引用文献Cofactor specificity motifs and the induced fit mechanism in class I ketol-acid reductoisomerases.
Biochem.J., 468, 2015
4XEH
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Apo structure of KARI from Ignisphaera aggregans
分子名称: Ketol-acid reductoisomerase
著者Cahn, J.K.B, Brinkmann-Chen, S, Arnold, F.H.
登録日2014-12-23
公開日2015-04-22
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.391 Å)
主引用文献Cofactor specificity motifs and the induced fit mechanism in class I ketol-acid reductoisomerases.
Biochem.J., 468, 2015
4UHP
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BU of 4uhp by Molmil
Crystal structure of the pyocin AP41 DNase-Immunity complex
分子名称: BACTERIOCIN IMMUNITY PROTEIN, LARGE COMPONENT OF PYOCIN AP41
著者Joshi, A, Chen, S, Wojdyla, J.A, Kaminska, R, Kleanthous, C.
登録日2015-03-25
公開日2015-08-05
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structures of the Ultra-High Affinity Protein-Protein Complexes of Pyocins S2 and Ap41 and Their Cognate Immunity Proteins from Pseudomonas Aeruginosa
J.Mol.Biol., 427, 2015
4UHQ
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BU of 4uhq by Molmil
Crystal structure of the pyocin AP41 DNase
分子名称: CITRIC ACID, LARGE COMPONENT OF PYOCIN AP41, NICKEL (II) ION
著者Joshi, A, Chen, S, Wojdyla, J.A, Kaminska, R, Kleanthous, C.
登録日2015-03-25
公開日2015-08-05
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structures of the Ultra-High Affinity Protein-Protein Complexes of Pyocins S2 and Ap41 and Their Cognate Immunity Proteins from Pseudomonas Aeruginosa
J.Mol.Biol., 427, 2015
1D4A
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BU of 1d4a by Molmil
CRYSTAL STRUCTURE OF HUMAN NAD[P]H-QUINONE OXIDOREDUCTASE AT 1.7 A RESOLUTION
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, QUINONE REDUCTASE
著者Faig, M, Bianchet, M.A, Chen, S, Winski, S, Ross, D, Amzel, L.M.
登録日1999-10-01
公開日1999-10-15
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structures of recombinant human and mouse NAD(P)H:quinone oxidoreductases: species comparison and structural changes with substrate binding and release.
Proc.Natl.Acad.Sci.USA, 97, 2000
1DXO
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BU of 1dxo by Molmil
Crystal structure of human NAD[P]H-QUINONE oxidoreductase CO with 2,3,5,6,tetramethyl-P-benzoquinone (duroquinone) at 2.5 Angstrom resolution
分子名称: DUROQUINONE, FLAVIN-ADENINE DINUCLEOTIDE, QUINONE REDUCTASE
著者Faig, M, Bianchet, M.A, Chen, S, Winski, S, Ross, D, Amzel, L.M.
登録日2000-01-12
公開日2000-04-23
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structures of Recombinant Mouse and Human Nad(P)H:Quinone Oxidoreductases:Species Comparison and Structural Changes with Substrate Binding and Release
Proc.Natl.Acad.Sci.USA, 97, 2000
1DXQ
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BU of 1dxq by Molmil
CRYSTAL STRUCTURE OF MOUSE NAD[P]H-QUINONE OXIDOREDUCTASE
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, QUINONE REDUCTASE
著者Faig, M, Bianchet, M.A, Chen, S, Winski, S, Ross, D, Amzel, L.M.
登録日2000-01-14
公開日2000-04-17
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structures of Recombinant Mouse and Human Nad(P)H:Quinone Oxidoreductases:Species Comparison and Structural Changes with Substrate Binding and Release
Proc.Natl.Acad.Sci.USA, 97, 2000
5Z8Z
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BU of 5z8z by Molmil
BRD4 Bromodomain 1 with an inhibitor
分子名称: 6-[(3S)-3-azanylpiperidin-1-yl]sulfonyl-1-ethyl-benzo[cd]indol-2-one, Bromodomain-containing protein 4
著者Xiao, S, Chen, S, Chen, H.
登録日2018-02-01
公開日2019-02-06
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献BRD4 Bromodomain 1 with an inhibitor
To Be Published
8YUU
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BU of 8yuu by Molmil
Cryo-EM structure of the histamine-bound H3R-Gi complex
分子名称: CHOLESTEROL, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
著者Shen, Q, Tang, X, Wen, X, Cheng, S, Xiao, P, Zang, S, Shen, D, Jiang, L, Zheng, Y, Zhang, H, Xu, H, Mao, C, Zhang, M, Hu, W, Sun, J, Chen, Z, Zhang, Y.
登録日2024-03-27
公開日2024-06-05
最終更新日2024-07-03
実験手法ELECTRON MICROSCOPY (2.7 Å)
主引用文献Molecular Determinant Underlying Selective Coupling of Primary G-Protein by Class A GPCRs.
Adv Sci, 11, 2024
8YUV
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BU of 8yuv by Molmil
Cryo-EM structure of the immepip-bound H3R-Gi complex
分子名称: 4-(1H-imidazol-5-ylmethyl)piperidine, CHOLESTEROL, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
著者Shen, Q, Tang, X, Wen, X, Cheng, S, Xiao, P, Zang, S, Shen, D, Jiang, L, Zheng, Y, Zhang, H, Xu, H, Mao, C, Zhang, M, Hu, W, Sun, J, Chen, Z, Zhang, Y.
登録日2024-03-27
公開日2024-06-05
最終更新日2024-07-03
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Molecular Determinant Underlying Selective Coupling of Primary G-Protein by Class A GPCRs.
Adv Sci, 11, 2024
8YUT
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BU of 8yut by Molmil
Cryo-EM structure of the amthamine-bound H2R-Gs complex
分子名称: 5-(2-azanylethyl)-4-methyl-1,3-thiazol-2-amine, CHOLESTEROL, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
著者Shen, Q, Tang, X, Wen, X, Cheng, S, Xiao, P, Zang, S, Shen, D, Jiang, L, Zheng, Y, Zhang, H, Xu, H, Mao, C, Zhang, M, Hu, W, Sun, J, Chen, Z, Zhang, Y.
登録日2024-03-27
公開日2024-06-05
最終更新日2024-07-03
実験手法ELECTRON MICROSCOPY (2.7 Å)
主引用文献Molecular Determinant Underlying Selective Coupling of Primary G-Protein by Class A GPCRs.
Adv Sci, 11, 2024
2XCL
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BU of 2xcl by Molmil
Nucleotide-bound Structures of Bacillus subtilis Glycinamide Ribonucleotide Synthetase
分子名称: MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, PHOSPHORIBOSYLAMINE--GLYCINE LIGASE
著者Bertrand, J.A, Chen, S, Zalkin, H, Smith, J.L.
登録日2010-04-23
公開日2011-03-23
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Nucleotide-Bound Structures of Bacillus Subtilis Glycinamide Ribonucleotide Synthetase
To be Published
2XD4
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BU of 2xd4 by Molmil
Nucleotide-bound Structures of Bacillus subtilis Glycinamide Ribonucleotide Synthetase
分子名称: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, PHOSPHORIBOSYLAMINE--GLYCINE LIGASE
著者Bertrand, J.A, Chen, S, Zalkin, H, Smith, J.L.
登録日2010-04-29
公開日2011-03-23
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Nucleotide-Bound Structures of Bacillus Subtilis Glycinamide Ribonucleotide Synthetase
To be Published
6ITY
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BU of 6ity by Molmil
CTX-M-64 sulbactam complex
分子名称: ACRYLIC ACID, Beta-lactamase, TRANS-ENAMINE INTERMEDIATE OF SULBACTAM
著者Cheng, Q, Chen, S.
登録日2018-11-26
公開日2019-10-30
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.14 Å)
主引用文献Structural Insight into the Mechanism of Inhibitor Resistance in CTX-M-199, a CTX-M-64 Variant Carrying the S130T Substitution.
Acs Infect Dis., 6, 2020
6J2O
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BU of 6j2o by Molmil
Crystal structure of CTX-M-64 clavulanic acid complex
分子名称: (2E)-3-[(4-hydroxy-2-oxobutyl)amino]prop-2-enal, Beta-lactamase
著者Cheng, Q, Chen, S.
登録日2019-01-02
公開日2019-10-30
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural Insight into the Mechanism of Inhibitor Resistance in CTX-M-199, a CTX-M-64 Variant Carrying the S130T Substitution.
Acs Infect Dis., 6, 2020
6J2B
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BU of 6j2b by Molmil
CTX-M-64 beta-lactamase S130T sulbactam complex
分子名称: Beta-lactamase, GLYCEROL, TRANS-ENAMINE INTERMEDIATE OF SULBACTAM
著者Cheng, Q, Chen, S.
登録日2018-12-31
公開日2019-10-30
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.44 Å)
主引用文献Structural Insight into the Mechanism of Inhibitor Resistance in CTX-M-199, a CTX-M-64 Variant Carrying the S130T Substitution.
Acs Infect Dis., 6, 2020
6J25
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BU of 6j25 by Molmil
CTX-M-64 beta-lactamase mutant-S130T
分子名称: Beta-lactamase
著者Cheng, Q, Chen, S.
登録日2018-12-30
公開日2019-10-30
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Structural Insight into the Mechanism of Inhibitor Resistance in CTX-M-199, a CTX-M-64 Variant Carrying the S130T Substitution.
Acs Infect Dis., 6, 2020
6J2K
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BU of 6j2k by Molmil
CTX-M-64 beta-lactamase S130T clavulanic acid complex
分子名称: (2E)-3-[(4-hydroxy-2-oxobutyl)amino]prop-2-enal, Beta-lactamase
著者Cheng, Q, Chen, S.
登録日2019-01-01
公開日2019-10-30
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.44 Å)
主引用文献Structural Insight into the Mechanism of Inhibitor Resistance in CTX-M-199, a CTX-M-64 Variant Carrying the S130T Substitution.
Acs Infect Dis., 6, 2020
6KEE
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BU of 6kee by Molmil
Crystal structure of BRD4 Bromodomain1 with an inhibitor
分子名称: 6-[2-[2,4-bis(fluoranyl)phenoxy]-5-(methylsulfonylmethyl)pyridin-3-yl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one, Bromodomain-containing protein 4
著者Xiao, S, Li, Z, Chen, S, Zhou, B, Luo, C.
登録日2019-07-04
公開日2020-07-08
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.12154651 Å)
主引用文献Crystal structure of BRD4 Bromodomain1 with an inhibitor
To be published
6KEG
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BU of 6keg by Molmil
BRD4 Bromodomain1 with an inhibitor
分子名称: 6-[2-[2,4-bis(fluoranyl)phenoxy]-5-(ethylsulfonylmethyl)pyridin-3-yl]-8-methyl-4H-pyrrolo[1,2-a]pyrazin-1-one, Bromodomain-containing protein 4
著者Xiao, S, Li, Z, Chen, S, Zhou, B, Luo, C.
登録日2019-07-04
公開日2020-07-08
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.232 Å)
主引用文献BRD4 Bromodomain1 with an inhibitor
To Be Published
6KEF
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BU of 6kef by Molmil
BRD4 Bromodomain1 with an inhibitor
分子名称: Bromodomain-containing protein 4, N-[3-(8-methyl-1-oxidanylidene-2H-pyrrolo[1,2-a]pyrazin-6-yl)-4-phenoxy-phenyl]methanesulfonamide
著者Xiao, S, Li, Z, Chen, S, Zhou, B, Luo, C.
登録日2019-07-04
公開日2020-07-08
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.44467545 Å)
主引用文献BRD4 Bromodomain1 with an inhibitor
To Be Published
6KED
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BU of 6ked by Molmil
BRD4 Bromodomain1 with an inhibitor
分子名称: 6-[2-[2,4-bis(fluoranyl)phenoxy]-5-(methylsulfonylmethyl)pyridin-3-yl]-8-methyl-2H-pyrrolo[1,2-d][1,2,4]triazin-1-one, Bromodomain-containing protein 4
著者Xiao, S, Li, Z, Chen, S, Zhou, B, Luo, C.
登録日2019-07-04
公開日2020-07-08
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.548447 Å)
主引用文献BRD4 Bromodomain1 with an inhibitor
To Be Published
5LS6
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BU of 5ls6 by Molmil
Structure of Human Polycomb Repressive Complex 2 (PRC2) with inhibitor
分子名称: 1-[(1~{R})-1-[1-[2,2-bis(fluoranyl)propyl]piperidin-4-yl]ethyl]-~{N}-[(4-methoxy-6-methyl-2-oxidanylidene-3~{H}-pyridin-3-yl)methyl]-2-methyl-indole-3-carboxamide, Histone-lysine N-methyltransferase EZH2,Histone-lysine N-methyltransferase EZH2,Histone-lysine N-methyltransferase EZH2, Jarid2 K116me3, ...
著者Zhang, Y, Justin, N, Chen, S, Wilson, J, Gamblin, S.
登録日2016-08-22
公開日2017-02-22
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (3.47 Å)
主引用文献Identification of (R)-N-((4-Methoxy-6-methyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)-2-methyl-1-(1-(1-(2,2,2-trifluoroethyl)piperidin-4-yl)ethyl)-1H-indole-3-carboxamide (CPI-1205), a Potent and Selective Inhibitor of Histone Methyltransferase EZH2, Suitable for Phase I Clinical Trials for B-Cell Lymphomas.
J. Med. Chem., 59, 2016

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