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7F0A
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BU of 7f0a by Molmil
Crystal structure of capreomycin phosphotransferase
Descriptor: Capreomycin phosphotransferase
Authors:Chang, C.Y, Pan, Y.C, Wang, Y.L, Toh, S.I.
Deposit date:2021-06-03
Release date:2022-05-11
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Dual-Mechanism Confers Self-Resistance to the Antituberculosis Antibiotic Capreomycin.
Acs Chem.Biol., 17, 2022
7F0F
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BU of 7f0f by Molmil
Crystal structure of capreomycin phosphotransferase in complex with CMN IIB
Descriptor: Capreomycin phosphotransferase, DPP-ALA-DPP-UAL-MYN-KBE
Authors:Chang, C.Y, Pan, Y.C, Wang, Y.L, Toh, S.I.
Deposit date:2021-06-03
Release date:2022-05-11
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Dual-Mechanism Confers Self-Resistance to the Antituberculosis Antibiotic Capreomycin.
Acs Chem.Biol., 17, 2022
7V5S
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BU of 7v5s by Molmil
Crystal structure of human bleomycin hydrolase C73A mutant
Descriptor: Bleomycin hydrolase, TETRAETHYLENE GLYCOL, TRIETHYLENE GLYCOL
Authors:Chang, C.Y, Zheng, Y.Z, Huang, S.J, Wang, Y.L, Toh, S.I, Lin, E.C.
Deposit date:2021-08-18
Release date:2022-06-29
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.02 Å)
Cite:The Structure-Function Relationship of Human Bleomycin Hydrolase: Mutation of a Cysteine Protease into a Serine Protease.
Chembiochem, 23, 2022
7V5T
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BU of 7v5t by Molmil
Crystal structure of human bleomycin hydrolase C73S mutant
Descriptor: Bleomycin hydrolase
Authors:Chang, C.Y, Zheng, Y.Z, Huang, S.J, Wang, Y.L, Toh, S.I, Lin, E.C.
Deposit date:2021-08-18
Release date:2022-06-29
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.25 Å)
Cite:The Structure-Function Relationship of Human Bleomycin Hydrolase: Mutation of a Cysteine Protease into a Serine Protease.
Chembiochem, 23, 2022
7V5L
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BU of 7v5l by Molmil
Crystal structure of human bleomycin hydrolase
Descriptor: Bleomycin hydrolase
Authors:Chang, C.Y, Zheng, Y.Z, Huang, S.J, Wang, Y.L, Toh, S.I, Lin, E.C.
Deposit date:2021-08-17
Release date:2022-06-29
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:The Structure-Function Relationship of Human Bleomycin Hydrolase: Mutation of a Cysteine Protease into a Serine Protease.
Chembiochem, 23, 2022
7XF9
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BU of 7xf9 by Molmil
Crystal structure of human bleomycin hydrolase H372A mutant
Descriptor: Bleomycin hydrolase
Authors:Chang, C.Y, Zheng, Y.Z, Huang, S.J, Wang, Y.L, Toh, S.I, Lin, E.C.
Deposit date:2022-04-01
Release date:2022-06-29
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:The Structure-Function Relationship of Human Bleomycin Hydrolase: Mutation of a Cysteine Protease into a Serine Protease.
Chembiochem, 23, 2022
7XBU
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BU of 7xbu by Molmil
Crystal structure of the adenylation domain of CmnG in complex with capreomycidine
Descriptor: (2S)-amino[(4R)-2-amino-1,4,5,6-tetrahydropyrimidin-4-yl]ethanoic acid, CmnG
Authors:Chen, I.H, Wang, Y.L, Chang, C.Y.
Deposit date:2022-03-22
Release date:2023-03-01
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Characterization and Structural Determination of CmnG-A, the Adenylation Domain That Activates the Nonproteinogenic Amino Acid Capreomycidine in Capreomycin Biosynthesis.
Chembiochem, 23, 2022
7XBT
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BU of 7xbt by Molmil
Crystal structure of the adenylation domain of CmnG in complex with AMP
Descriptor: ADENOSINE MONOPHOSPHATE, CmnG, MAGNESIUM ION
Authors:Chen, I.H, Wang, Y.L, Chang, C.Y.
Deposit date:2022-03-22
Release date:2023-03-01
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Characterization and Structural Determination of CmnG-A, the Adenylation Domain That Activates the Nonproteinogenic Amino Acid Capreomycidine in Capreomycin Biosynthesis.
Chembiochem, 23, 2022
7XBS
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BU of 7xbs by Molmil
Crystal structure of the adenylation domain of CmnG
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CmnG
Authors:Chen, I.H, Wang, Y.L, Chang, C.Y.
Deposit date:2022-03-22
Release date:2023-03-01
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Characterization and Structural Determination of CmnG-A, the Adenylation Domain That Activates the Nonproteinogenic Amino Acid Capreomycidine in Capreomycin Biosynthesis.
Chembiochem, 23, 2022
7XBV
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BU of 7xbv by Molmil
Crystal structure of the adenylation domain of CmnG in complex with AMPCPP
Descriptor: CmnG, DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, PHOSPHATE ION
Authors:Chen, I.H, Wang, Y.L, Chang, C.Y.
Deposit date:2022-03-22
Release date:2023-03-01
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Characterization and Structural Determination of CmnG-A, the Adenylation Domain That Activates the Nonproteinogenic Amino Acid Capreomycidine in Capreomycin Biosynthesis.
Chembiochem, 23, 2022
7XRT
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BU of 7xrt by Molmil
Bacteroides thetaiotaomicron ferulic acid esterase (BT_4077)
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, CALCIUM ION, Ferulic acid esterase
Authors:Du, G.M, Wang, Y.L, Xin, F.J.
Deposit date:2022-05-11
Release date:2023-11-22
Method:X-RAY DIFFRACTION (2.007 Å)
Cite:Insights into the regulatory mechanism of BtFae activity by oligomerization and a distinct substrate binding pocket adjacent to the active site
To Be Published
7XRV
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BU of 7xrv by Molmil
Bacteroides thetaiotaomicron ferulic acid esterase - S150A (BT_4077-S150A) complex with trans-methylferulate
Descriptor: CALCIUM ION, Ferulic acid esterase, Trans-methylferulate
Authors:Du, G.M, Wang, Y.L, Xin, F.J.
Deposit date:2022-05-11
Release date:2023-11-22
Method:X-RAY DIFFRACTION (2.713 Å)
Cite:Insights into the regulatory mechanism of BtFae activity by oligomerization and a distinct substrate binding pocket adjacent to the active site
To Be Published
3MZ8
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BU of 3mz8 by Molmil
Crystal Structure of Zinc-Bound Natrin From Naja atra
Descriptor: Natrin-1, ZINC ION
Authors:Wang, Y.L, Hsieh, Y.C, Liu, J.S, Chen, C.J, Wu, W.G.
Deposit date:2010-05-12
Release date:2010-09-29
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Cobra CRISP functions as an inflammatory modulator via a novel Zn2+- and heparan sulfate- dependent transcriptional regulation of endothelial cell adhesion molecules
J.Biol.Chem., 285, 2010
6J8R
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BU of 6j8r by Molmil
Metallo-Beta-Lactamase VIM-2 in complex with Dual MBL/SBL Inhibitor MS01
Descriptor: Beta-lactamase class B VIM-2, FORMIC ACID, GLYCEROL, ...
Authors:Li, G.-B, Liu, S.
Deposit date:2019-01-21
Release date:2019-07-17
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.575 Å)
Cite:Structure-Based Development of (1-(3'-Mercaptopropanamido)methyl)boronic Acid Derived Broad-Spectrum, Dual-Action Inhibitors of Metallo- and Serine-beta-lactamases.
J.Med.Chem., 62, 2019
6J8Q
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BU of 6j8q by Molmil
Serine Beta-Lactamase KPC-2 in Complex with Dual MBL/SBL Inhibitor WL-001
Descriptor: ACETIC ACID, DI(HYDROXYETHYL)ETHER, SULFATE ION, ...
Authors:Li, G.-B, Liu, S.
Deposit date:2019-01-21
Release date:2019-07-17
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.787 Å)
Cite:Structure-Based Development of (1-(3'-Mercaptopropanamido)methyl)boronic Acid Derived Broad-Spectrum, Dual-Action Inhibitors of Metallo- and Serine-beta-lactamases.
J.Med.Chem., 62, 2019
6JN4
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BU of 6jn4 by Molmil
Serine Beta-Lactamase KPC-2 in Complex with Dual MBL/SBL Inhibitor WL-001
Descriptor: ACETATE ION, ACETIC ACID, DI(HYDROXYETHYL)ETHER, ...
Authors:Li, G.-B, Liu, S.
Deposit date:2019-03-13
Release date:2019-07-17
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure-Based Development of (1-(3'-Mercaptopropanamido)methyl)boronic Acid Derived Broad-Spectrum, Dual-Action Inhibitors of Metallo- and Serine-beta-lactamases.
J.Med.Chem., 62, 2019
6JN5
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BU of 6jn5 by Molmil
Serine Beta-Lactamase KPC-2 in Complex with Dual MBL/SBL Inhibitor MS23
Descriptor: Serine Beta-Lactamase KPC-2, [(S)-(4-fluorophenyl)-[[(2S)-2-methyl-3-sulfanyl-propanoyl]amino]methyl]boronic acid
Authors:Li, G.-B, Liu, S.
Deposit date:2019-03-13
Release date:2019-07-17
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Structure-Based Development of (1-(3'-Mercaptopropanamido)methyl)boronic Acid Derived Broad-Spectrum, Dual-Action Inhibitors of Metallo- and Serine-beta-lactamases.
J.Med.Chem., 62, 2019
6JN3
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BU of 6jn3 by Molmil
Serine Beta-Lactamase KPC-2 in Complex with Dual MBL/SBL Inhibitor MS05
Descriptor: ACETIC ACID, DI(HYDROXYETHYL)ETHER, Serine Beta-Lactamase KPC-2, ...
Authors:Li, G.-B, Liu, S.
Deposit date:2019-03-13
Release date:2019-07-17
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.216 Å)
Cite:Structure-Based Development of (1-(3'-Mercaptopropanamido)methyl)boronic Acid Derived Broad-Spectrum, Dual-Action Inhibitors of Metallo- and Serine-beta-lactamases.
J.Med.Chem., 62, 2019
6JN6
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BU of 6jn6 by Molmil
Metallo-Beta-Lactamase VIM-2 in complex with Dual MBL/SBL Inhibitor MS19
Descriptor: Beta-lactamase class B VIM-2, FORMIC ACID, ZINC ION, ...
Authors:Li, G.-B, Liu, S.
Deposit date:2019-03-13
Release date:2019-07-17
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.602 Å)
Cite:Structure-Based Development of (1-(3'-Mercaptopropanamido)methyl)boronic Acid Derived Broad-Spectrum, Dual-Action Inhibitors of Metallo- and Serine-beta-lactamases.
J.Med.Chem., 62, 2019
6KE1
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BU of 6ke1 by Molmil
Crystal structure of TtCas1
Descriptor: CRISPR-associated endonuclease Cas1 2
Authors:Wang, Y.L, Li, J.Z, Yang, J, Wang, J.Y.
Deposit date:2019-07-03
Release date:2019-12-18
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.39 Å)
Cite:Crystal structure of Cas1 in complex with branched DNA.
Sci China Life Sci, 63, 2020
6KDV
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BU of 6kdv by Molmil
Crystal structure of TtCas1-DNA complex
Descriptor: CRISPR-associated endonuclease Cas1 2, DNA (5'-D(*GP*AP*GP*TP*CP*GP*AP*TP*GP*CP*TP*GP*GP*TP*TP*TP*TP*TP*TP*TP*TP*TP*T)-3'), DNA (5'-D(*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*CP*CP*AP*GP*CP*AP*TP*CP*GP*AP*CP*TP*C)-3')
Authors:Wang, Y.L, Li, J.Z, Yang, J, Wang, J.Y.
Deposit date:2019-07-02
Release date:2019-12-18
Last modified:2020-05-06
Method:X-RAY DIFFRACTION (3.11 Å)
Cite:Crystal structure of Cas1 in complex with branched DNA.
Sci China Life Sci, 63, 2020
5XYZ
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BU of 5xyz by Molmil
The structure of human BTK kinase domain in complex with a covalent inhibitor
Descriptor: N-[3-(5-{[(2-chloro-6-fluorophenyl)methyl]amino}-1H-1,2,4-triazol-3-yl)phenyl]propanamide, Tyrosine-protein kinase BTK
Authors:Wang, Y.L, Sun, Y.Z, Cao, R, Liu, D, Xie, Y.T, Li, L, Qi, X.B, Huang, N.
Deposit date:2017-07-11
Release date:2018-05-23
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.64 Å)
Cite:In Silico Identification of a Novel Hinge-Binding Scaffold for Kinase Inhibitor Discovery.
J. Med. Chem., 60, 2017
5XYX
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BU of 5xyx by Molmil
The structure of p38 alpha in complex with a triazol inhibitor
Descriptor: Mitogen-activated protein kinase 14, N-(2-chloro-6-fluorobenzyl)-5-(furan-2-yl)-2H-1,2,4-triazol-3-amine
Authors:Wang, Y.L, Sun, Y.Z, Cao, R, Liu, D, Li, L, Qi, X.B, Huang, N.
Deposit date:2017-07-11
Release date:2018-01-17
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.61 Å)
Cite:In Silico Identification of a Novel Hinge-Binding Scaffold for Kinase Inhibitor Discovery.
J. Med. Chem., 60, 2017
5XYY
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BU of 5xyy by Molmil
The structure of p38 alpha in complex with a triazol inhibitor
Descriptor: 3-(5-{[(2-chloro-6-fluorophenyl)methyl]amino}-4H-1,2,4-triazol-3-yl)phenol, Mitogen-activated protein kinase 14
Authors:Wang, Y.L, Sun, Y.Z, Cao, R, Liu, D, Li, L, Qi, X.B, Huang, N.
Deposit date:2017-07-11
Release date:2018-01-17
Last modified:2024-04-10
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:In Silico Identification of a Novel Hinge-Binding Scaffold for Kinase Inhibitor Discovery.
J. Med. Chem., 60, 2017
7WCY
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BU of 7wcy by Molmil
Crystal Structure of H-2Kb with Cryptosporidium parvum gp40/15 epitope
Descriptor: Beta-2-microglobulin, H-2 class I histocompatibility antigen, K-B alpha chain, ...
Authors:Wang, Y.L, Gao, M.H, Zhang, L.X, Fan, S.H.
Deposit date:2021-12-20
Release date:2022-12-28
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.36 Å)
Cite:Structural Analyses of a Dominant Cryptosporidium parvum Epitope Presented by H-2K b Offer New Options To Combat Cryptosporidiosis.
Mbio, 14, 2023

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数据于2024-06-12公开中

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