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5GRR
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BU of 5grr by Molmil
Crystal structure of MCR-1
分子名称: GLYCEROL, Probable phosphatidylethanolamine transferase Mcr-1, ZINC ION
著者Ma, G, Zhu, Y, Yu, Z, Zhang, H.
登録日2016-08-12
公開日2017-01-04
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献High resolution crystal structure of the catalytic domain of MCR-1
Sci Rep, 6, 2016
6LJ1
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BU of 6lj1 by Molmil
Crystal structure of NDM-1 in complex with D-captopril derivative wss02127 monomer
分子名称: (1R)-2-[(2S)-2-methyl-3-sulfanyl-propanoyl]-3,4-dihydro-1H-isoquinoline-1-carboxylic acid, Metallo-beta-lactamase type 2, ZINC ION
著者Zhang, H, Ma, G.
登録日2019-12-13
公開日2020-12-16
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.151 Å)
主引用文献Structure-guided optimization of D-captopril for discovery of potent NDM-1 inhibitors.
Bioorg.Med.Chem., 29, 2020
6LJ2
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BU of 6lj2 by Molmil
Crystal structure of NDM-1 in complex with heterodimer of D-captopril derivative wss02127 stereoisomer
分子名称: (1R)-2-[(2S)-2-methyl-3-sulfanyl-propanoyl]-3,4-dihydro-1H-isoquinoline-1-carboxylic acid, (1S)-2-[(2S)-2-methyl-3-sulfanyl-propanoyl]-3,4-dihydro-1H-isoquinoline-1-carboxylic acid, HYDROXIDE ION, ...
著者Zhang, H, Ma, G.
登録日2019-12-13
公開日2020-12-16
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Structure-guided optimization of D-captopril for discovery of potent NDM-1 inhibitors.
Bioorg.Med.Chem., 29, 2020
6LJ5
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BU of 6lj5 by Molmil
Crystal structure of NDM-1 in complex with D-captopril derivative wss04145
分子名称: 1,2-ETHANEDIOL, 1-[(2S)-2-methyl-3-sulfanyl-propanoyl]piperidine-4-carboxylic acid, Metallo-beta-lactamase type 2, ...
著者Zhang, H, Ma, G.
登録日2019-12-13
公開日2020-12-16
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.26 Å)
主引用文献Structure-guided optimization of D-captopril for discovery of potent NDM-1 inhibitors.
Bioorg.Med.Chem., 29, 2020
6LJ0
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BU of 6lj0 by Molmil
Crystal structure of NDM-1 in complex with D-captopril derivative wss02122
分子名称: (2R)-1-[(2S)-2-methyl-3-sulfanyl-propanoyl]piperidine-2-carboxylic acid, Metallo-beta-lactamase type 2, ZINC ION
著者Zhang, H, Ma, G.
登録日2019-12-13
公開日2020-12-16
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Structure-guided optimization of D-captopril for discovery of potent NDM-1 inhibitors.
Bioorg.Med.Chem., 29, 2020
6LJ4
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BU of 6lj4 by Molmil
Crystal structure of NDM-1 in complex with D-captopril derivative wss04146
分子名称: (3S)-1-[(2S)-2-methyl-3-sulfanyl-propanoyl]piperidine-3-carboxylic acid, Metallo-beta-lactamase type 2, ZINC ION
著者Zhang, H, Ma, G.
登録日2019-12-13
公開日2020-12-16
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献Structure-guided optimization of D-captopril for discovery of potent NDM-1 inhibitors.
Bioorg.Med.Chem., 29, 2020
6LJ6
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BU of 6lj6 by Molmil
Crystal structure of NDM-1 in complex with D-captopril derivative wss05008
分子名称: 1-[(2S)-2-methyl-3-sulfanyl-propanoyl]piperidine-4-carboxamide, Metallo-beta-lactamase type 2, ZINC ION
著者Zhang, H, Ma, G.
登録日2019-12-13
公開日2020-12-16
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.27 Å)
主引用文献Structure-guided optimization of D-captopril for discovery of potent NDM-1 inhibitors.
Bioorg.Med.Chem., 29, 2020
6LJ8
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BU of 6lj8 by Molmil
Crystal structure of NDM-1 in complex with D-captopril derivative wss04134
分子名称: 1,2-ETHANEDIOL, 2-[1-[(2S)-2-methyl-3-sulfanyl-propanoyl]piperidin-4-yl]ethanoic acid, Metallo-beta-lactamase type 2, ...
著者Zhang, H, Ma, G.
登録日2019-12-13
公開日2020-12-16
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Structure-guided optimization of D-captopril for discovery of potent NDM-1 inhibitors.
Bioorg.Med.Chem., 29, 2020
6LIP
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BU of 6lip by Molmil
Crystal structure of NDM-1 in complex with D-captopril derivative wss0218
分子名称: (2R)-1-[3-sulfanyl-2-(sulfanylmethyl)propanoyl]pyrrolidine-2-carboxylic acid, Metallo-beta-lactamase type 2, ZINC ION
著者Zhang, H, Ma, G.
登録日2019-12-12
公開日2020-12-16
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (0.98 Å)
主引用文献Structure-guided optimization of D-captopril for discovery of potent NDM-1 inhibitors.
Bioorg.Med.Chem., 29, 2020
6LIZ
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BU of 6liz by Molmil
Crystal structure of NDM-1 in complex with D-captopril derivative wss02120
分子名称: (2R)-1-[(2S)-2-methyl-3-sulfanyl-propanoyl]azepane-2-carboxylic acid, Metallo-beta-lactamase type 2, ZINC ION
著者Zhang, H, Ma, G.
登録日2019-12-13
公開日2020-12-16
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.05 Å)
主引用文献Structure-guided optimization of D-captopril for discovery of potent NDM-1 inhibitors.
Bioorg.Med.Chem., 29, 2020
6LJ7
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BU of 6lj7 by Molmil
Crystal structure of NDM-1 in complex with D-captopril derivative wss05010
分子名称: 2-[1-[(2S)-2-methyl-3-sulfanyl-propanoyl]piperidin-4-yl]ethanamide, Metallo-beta-lactamase type 2, ZINC ION
著者Zhang, H, Ma, G.
登録日2019-12-13
公開日2020-12-16
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.16 Å)
主引用文献Structure-guided optimization of D-captopril for discovery of potent NDM-1 inhibitors.
Bioorg.Med.Chem., 29, 2020
3K7I
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BU of 3k7i by Molmil
Crystal structure of the E131K mutant of the Indian Hedgehog N-terminal signalling domain
分子名称: Indian hedgehog protein, SULFATE ION, ZINC ION
著者He, Y.-X, Kang, Y, Zhang, W.J, Yu, J, Ma, G, Zhou, C.-Z.
登録日2009-10-13
公開日2011-01-26
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.438 Å)
主引用文献Crystal structure of the E131K mutant of the Indian Hedgehog N-terminal signalling domain
To be Published
3K7H
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BU of 3k7h by Molmil
Crystal structure of the E95K mutant of the Indian Hedgehog N-terminal signalling domain
分子名称: Indian hedgehog protein, SULFATE ION, ZINC ION
著者He, Y.-X, Kang, Y, Zhang, W.J, Yu, J, Ma, G, Zhou, C.-Z.
登録日2009-10-13
公開日2011-01-26
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Crystal structure of the E95K mutant of the Indian Hedgehog N-terminal signalling domain
To be Published
3K7G
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BU of 3k7g by Molmil
Crystal structure of the Indian Hedgehog N-terminal signalling domain
分子名称: GLYCEROL, Indian hedgehog protein, SULFATE ION, ...
著者He, Y.-X, Kang, Y, Zhang, W.J, Yu, J, Ma, G, Zhou, C.-Z.
登録日2009-10-13
公開日2011-01-26
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Crystal structure of the Indian Hedgehog N-terminal signalling domain
To be Published
3K7J
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BU of 3k7j by Molmil
Crystal structure of the D100E mutant of the Indian Hedgehog N-terminal signalling domain
分子名称: CARBONATE ION, Indian hedgehog protein, SULFATE ION, ...
著者He, Y.-X, Kang, Y, Zhang, W.J, Yu, J, Ma, G, Zhou, C.-Z.
登録日2009-10-13
公開日2011-01-26
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structure of the D100E mutant of the Indian Hedgehog N-terminal signalling domain
To be Published
4LX3
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BU of 4lx3 by Molmil
Conserved Residues that Modulate Protein trans-Splicing of Npu DnaE Split Intein
分子名称: DNA polymerase III, alpha subunit, Nucleic acid binding, ...
著者Wu, Q, Gao, Z, Wei, Y, Ma, G, Zheng, Y, Dong, Y, Liu, Y.
登録日2013-07-29
公開日2014-06-25
最終更新日2022-08-24
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Conserved residues that modulate protein trans-splicing of Npu DnaE split intein.
Biochem.J., 461, 2014
5XP6
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BU of 5xp6 by Molmil
native structure of NDM-1 crystallized at pH5.5
分子名称: 1,2-ETHANEDIOL, HYDROXIDE ION, Metallo-beta-lactamase type 2, ...
著者Zhang, H, Ma, G, Lai, J, Sun, H.
登録日2017-06-01
公開日2018-03-07
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (0.95 Å)
主引用文献Bismuth antimicrobial drugs serve as broad-spectrum metallo-beta-lactamase inhibitors
Nat Commun, 9, 2018
5XP9
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BU of 5xp9 by Molmil
Crystal structure of Bismuth bound NDM-1
分子名称: Bismuth(III) ION, GLYCEROL, Metallo-beta-lactamase type 2
著者Zhang, H, Ma, G, Lai, T.P, Sun, H.
登録日2017-06-01
公開日2018-03-07
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Bismuth antimicrobial drugs serve as broad-spectrum metallo-beta-lactamase inhibitors
Nat Commun, 9, 2018
6JOM
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BU of 6jom by Molmil
Crystal structure of lipoate protein ligase from Mycoplasma hyopneumoniae
分子名称: 5'-O-[(R)-({5-[(3R)-1,2-DITHIOLAN-3-YL]PENTANOYL}OXY)(HYDROXY)PHOSPHORYL]ADENOSINE, Lipoate--protein ligase
著者Zhang, H, Chen, H, Ma, G.
登録日2019-03-22
公開日2020-03-25
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Functional Identification and Structural Analysis of a New Lipoate Protein Ligase inMycoplasma hyopneumoniae.
Front Cell Infect Microbiol, 10, 2020
5ZIO
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BU of 5zio by Molmil
Crystal structure of NDM-1 in complex with L-captopril
分子名称: L-CAPTOPRIL, Metallo-beta-lactamase type 2, ZINC ION
著者Zhang, H, Hao, Q.
登録日2018-03-16
公開日2019-03-20
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (0.98 Å)
主引用文献Structure-guided optimization of D-captopril for discovery of potent NDM-1 inhibitors
Bioorg.Med.Chem., 29, 2020
5ZJ2
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BU of 5zj2 by Molmil
Crystal structure of NDM-1 in complex with D-captopril
分子名称: 1-(3-MERCAPTO-2-METHYL-PROPIONYL)-PYRROLIDINE-2-CARBOXYLIC ACID, Metallo-beta-lactamase type 2, ZINC ION
著者Zhang, H, Hao, Q.
登録日2018-03-18
公開日2019-03-20
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Structure-guided optimization of D-captopril for discovery of potent NDM-1 inhibitors
Bioorg.Med.Chem., 29, 2020
3FAN
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BU of 3fan by Molmil
Crystal structure of chymotrypsin-like protease/proteinase (3CLSP/Nsp4) of porcine reproductive and respiratory syndrome virus (PRRSV)
分子名称: Non-structural protein, PHOSPHATE ION
著者Gao, F, Peng, H, Tian, X, Lu, G, Liu, Y, Gao, G.F.
登録日2008-11-17
公開日2009-09-08
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure and cleavage specificity of the chymotrypsin-like serine protease (3CLSP/nsp4) of Porcine Reproductive and Respiratory Syndrome Virus (PRRSV).
J.Mol.Biol., 392, 2009
3FAO
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BU of 3fao by Molmil
Crystal structure of S118A mutant 3CLSP of PRRSV
分子名称: Non-structural protein, PHOSPHATE ION
著者Gao, F, Peng, H, Tian, X, Lu, G, Liu, Y, Gao, G.F.
登録日2008-11-17
公開日2009-10-20
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Structure and cleavage specificity of the chymotrypsin-like serine protease (3CLSP/nsp4) of Porcine Reproductive and Respiratory Syndrome Virus (PRRSV).
J.Mol.Biol., 392, 2009
7YQE
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BU of 7yqe by Molmil
Structure of human SRC regulatory domains in complex with the C-terminal PRRP motifs of GPR54.
分子名称: Proto-oncogene tyrosine-protein kinase Src,KiSS-1 receptor
著者Song, G, Xu, S.
登録日2022-08-06
公開日2023-08-16
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Kisspeptin-10 binding to Gpr54 in osteoclasts prevents bone loss by activating Dusp18-mediated dephosphorylation of Src.
Nat Commun, 15, 2024
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
分子名称: (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, ...
著者Zhang, H, Hao, Q.
登録日2018-03-10
公開日2018-08-22
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献Active-Site Conformational Fluctuations Promote the Enzymatic Activity of NDM-1.
Antimicrob. Agents Chemother., 62, 2018

 

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