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8H3K
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BU of 8h3k by Molmil
Crystal Structure of SARS-CoV-2 Main Protease (Mpro) Double Mutant (L50F and E166V) in Complex with Inhibitor Enstrelvir
分子名称: 3-(4-AMINO-2-METHYL-PYRIMIDIN-5-YLMETHYL)-5-(2-HYDROXY-ETHYL)-4-METHYL-THIAZOL-3-IUM, 3C-like proteinase nsp5, 6-[(6-chloranyl-2-methyl-indazol-5-yl)amino]-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-[[2,4,5-tris(fluoranyl)phenyl]methyl]-1,3,5-triazine-2,4-dione, ...
著者Wang, H, Lin, M, Duan, Y, Zhang, X, Zhou, H, Bian, Q, Liu, X, Rao, Z, Yang, H.
登録日2022-10-08
公開日2023-10-11
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Molecular mechanisms of SARS-CoV-2 resistance to nirmatrelvir.
Nature, 622, 2023
7VIC
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BU of 7vic by Molmil
The crystal structure of SARS-CoV-2 3C-like protease in complex with a traditional Chinese Medicine Inhibitors
分子名称: (1beta,6beta,7beta,8alpha,9beta,10alpha,13alpha,14R,16beta)-1,6,7,14-tetrahydroxy-7,20-epoxykauran-15-one, 3C-like proteinase
著者Zhong, B, Chen, B, Zhou, H, Sun, L.
登録日2021-09-26
公開日2022-03-30
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Oridonin Inhibits SARS-CoV-2 by Targeting Its 3C-Like Protease.
Small Sci, 2, 2022
8W8J
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BU of 8w8j by Molmil
Crystal structure of bacterial prolyl-tRNA synthetase in complex with inhibitor PAA-19
分子名称: (2~{S})-~{N}-[3-(4-azanyl-5-fluoranyl-quinazolin-7-yl)phenyl]sulfonylpyrrolidine-2-carboxamide, 1,2-ETHANEDIOL, Proline--tRNA ligase
著者Luo, Z, Zhou, H.
登録日2023-09-03
公開日2024-09-04
実験手法X-RAY DIFFRACTION (1.807 Å)
主引用文献Structure-Guided Fluorine Scanning Accelerates the Discovery of Potent and Selective Inhibitors Against Bacterial Prolyl-tRNA Synthetase
To Be Published
8W8L
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BU of 8w8l by Molmil
Crystal structure of bacterial prolyl-tRNA synthetase in complex with inhibitor PAA-38
分子名称: (2~{S})-~{N}-[5-(4-azanyl-8-fluoranyl-quinazolin-7-yl)-2-fluoranyl-phenyl]sulfonylpyrrolidine-2-carboxamide, 1,2-ETHANEDIOL, MAGNESIUM ION, ...
著者Luo, Z, Zhou, H.
登録日2023-09-03
公開日2024-09-04
実験手法X-RAY DIFFRACTION (1.824 Å)
主引用文献Structure-Guided Fluorine Scanning Accelerates the Discovery of Potent and Selective Inhibitors Against Bacterial Prolyl-tRNA Synthetase
To Be Published
8W9I
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BU of 8w9i by Molmil
Crystal structure of bacterial prolyl-tRNA synthetase in complex with inhibitor PAA-5
分子名称: (2~{S})-~{N}-[3-(4-azanylquinazolin-7-yl)phenyl]sulfonylpyrrolidine-2-carboxamide, 1,2-ETHANEDIOL, MAGNESIUM ION, ...
著者Luo, Z, Zhou, H.
登録日2023-09-05
公開日2024-09-11
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Structure-Guided Fluorine Scanning Accelerates the Discovery of Potent and Selective Inhibitors Against Bacterial Prolyl-tRNA Synthetase
To Be Published
6IPX
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BU of 6ipx by Molmil
Crystal structure of the apo form transcription factor
分子名称: AimR transcriptional regulator
著者Oy, S.Y, Zhen, X, Zhou, H, Ding, W.
登録日2018-11-05
公開日2019-01-23
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.634 Å)
主引用文献Structural basis of AimP signaling molecule recognition by AimR in Spbeta group of bacteriophages.
Protein Cell, 10, 2019
6JIS
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BU of 6jis by Molmil
Crystal structure of the histidine racemase CntK in cobalt and nickel transporter system of staphylococcus aureus
分子名称: 1,2-ETHANEDIOL, CESIUM ION, CHLORIDE ION, ...
著者Luo, S, Ju, Y, Zhou, H.
登録日2019-02-23
公開日2019-10-16
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Crystal structure of CntK, the cofactor-independent histidine racemase in staphylopine-mediated metal acquisition of Staphylococcus aureus.
Int.J.Biol.Macromol., 135, 2019
8YA5
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BU of 8ya5 by Molmil
Mpro from SARS-CoV-2
分子名称: 3C-like proteinase
著者Zhang, C.Y, Xu, Q, Wang, W.W, Zhou, H, Wang, Q.S.
登録日2024-02-07
公開日2024-02-28
実験手法X-RAY DIFFRACTION (2.72 Å)
主引用文献Crystallographic data collection using a multilayer monochromator on an undulator beamline at SSRF
To Be Published
8YA4
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BU of 8ya4 by Molmil
Crystal structure of a lysozyme form hen egg white
分子名称: Lysozyme C
著者Zhang, C.Y, Xu, Q, Wang, W.W, Zhou, H.
登録日2024-02-07
公開日2024-02-28
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystallographic data collection using a multilayer monochromator on an undulator beamline at SSRF
To Be Published
8YA1
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BU of 8ya1 by Molmil
HEN EGG WHITE LYSOZYME
分子名称: Lysozyme C
著者Zhang, C.Y, Xu, Q, Wang, W.W, Zhou, H.
登録日2024-02-07
公開日2024-02-28
実験手法X-RAY DIFFRACTION (1.57 Å)
主引用文献Crystallographic data collection using a multilayer monochromator on an undulator beamline at SSRF
To Be Published
8Y9W
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BU of 8y9w by Molmil
CRYSTAL STRUCTURE OF A LYSOZYME FROM HEN EGG WHITE
分子名称: Lysozyme C
著者Zhang, C.Y, Xu, Q, Zhou, H, Wang, Q.S.
登録日2024-02-07
公開日2024-02-28
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystallographic data collection using a multilayer monochromator on an undulator beamline at SSRF
To Be Published
8Y9V
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BU of 8y9v by Molmil
ZIKV NS2B/NS3 protease
分子名称: DAR-LYS-ORN-ARG, Serine protease NS3, Serine protease subunit NS2B
著者Zhang, C.Y, Xu, Q, Wang, W.W, Zhou, H, Wang, Q.S.
登録日2024-02-07
公開日2024-02-28
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystallographic data collection using a multilayer monochromator on an undulator beamline at SSRF
To Be Published
6IDE
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BU of 6ide by Molmil
Crystal structure of the Vibrio cholera VqmA-Ligand-DNA complex provides molecular mechanisms for drug design
分子名称: 3,5-dimethylpyrazin-2-ol, DNA (5'-D(*AP*GP*GP*GP*GP*GP*GP*AP*AP*AP*TP*CP*CP*CP*CP*CP*CP*T)-3'), DNA (5'-D(*AP*GP*GP*GP*GP*GP*GP*AP*TP*TP*TP*CP*CP*CP*CP*CP*CP*T)-3'), ...
著者Wu, H, Li, M.J, Guo, H.J, Zhou, H, Li, B, Xu, Q, Xu, C.Y, Yu, F, He, J.H.
登録日2018-09-09
公開日2019-01-16
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.51 Å)
主引用文献Crystal structure of theVibrio choleraeVqmA-ligand-DNA complex provides insight into ligand-binding mechanisms relevant for drug design.
J. Biol. Chem., 294, 2019
7F43
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BU of 7f43 by Molmil
PARP15 catalytic domain in complex with Niraparib
分子名称: 2-{4-[(3S)-piperidin-3-yl]phenyl}-2H-indazole-7-carboxamide, Protein mono-ADP-ribosyltransferase PARP15
著者Zhou, X.L, Zhou, H, Li, J, Zhang, J.
登録日2021-06-17
公開日2022-06-22
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献PARP15 catalytic domain in complex with Niraparib
To Be Published
7F42
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BU of 7f42 by Molmil
PARP15 catalytic domain in complex with Iniparib
分子名称: 4-iodo-3-nitrobenzamide, Protein mono-ADP-ribosyltransferase PARP15
著者Zhou, X.L, Zhou, H, Li, J, Zhang, J.
登録日2021-06-17
公開日2022-06-22
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.41 Å)
主引用文献PARP15 catalytic domain in complex with Iniparib
To Be Published
7DQZ
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BU of 7dqz by Molmil
Crystal structure of SARS 3C-like protease in apo form
分子名称: 3C-like proteinase
著者Zhang, Y.T, Gao, H.X, Zhou, H, Zhong, F.L, Hu, X.H, Zhou, X.L, Lin, C, Wang, Q.S, Li, J, Zhang, J.
登録日2020-12-24
公開日2021-09-29
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Structure-Based Discovery and Structural Basis of a Novel Broad-Spectrum Natural Product against the Main Protease of Coronavirus.
J.Virol., 96, 2022
7EO8
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BU of 7eo8 by Molmil
Crystal structure of SARS coronavirus main protease in complex with an inhibitor Shikonin
分子名称: 2-[(1R)-4-methyl-1-oxidanyl-pent-3-enyl]-5,8-bis(oxidanyl)naphthalene-1,4-dione, 3C-like proteinase
著者Zhang, Y.T, Gao, H.X, Zhou, H, Zhong, F.L, Hu, X.H, Zhou, X.L, Lin, C, Wang, Q.S, Li, J, Zhang, J.
登録日2021-04-21
公開日2021-10-20
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.2808516 Å)
主引用文献Structure-Based Discovery and Structural Basis of a Novel Broad-Spectrum Natural Product against the Main Protease of Coronavirus.
J.Virol., 96, 2022
5GM1
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BU of 5gm1 by Molmil
Crystal structure of methyltransferase TleD complexed with SAH
分子名称: O-methylransferase, S-ADENOSYL-L-HOMOCYSTEINE
著者Yu, F, Li, M.J, Xu, C.Y, Zhou, H, Sun, B, Wang, Z.J, Xu, Q, Xie, M.Y, Zuo, G, Huang, P, Wang, Q.S, He, J.H.
登録日2016-07-12
公開日2016-09-28
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.501 Å)
主引用文献Crystal structure and enantioselectivity of terpene cyclization in SAM-dependent methyltransferase TleD
Biochem.J., 473, 2016
5GM2
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BU of 5gm2 by Molmil
Crystal structure of methyltransferase TleD complexed with SAH and teleocidin A1
分子名称: (2S,5S)-9-[(3R)-3,7-dimethylocta-1,6-dien-3-yl]-5-(hydroxymethyl)-1-methyl-2-(propan-2-yl)-1,2,4,5,6,8-hexahydro-3H-[1,4]diazonino[7,6,5-cd]indol-3-one, O-methylransferase, S-ADENOSYL-L-HOMOCYSTEINE
著者Yu, F, Li, M.J, Xu, C.Y, Zhou, H, Sun, B, Wang, Z.J, Xu, Q, Xie, M.Y, Zuo, G, Huang, P, Wang, Q.S, He, J.H.
登録日2016-07-12
公開日2016-09-28
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Crystal structure and enantioselectivity of terpene cyclization in SAM-dependent methyltransferase TleD
Biochem.J., 473, 2016
4Y25
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BU of 4y25 by Molmil
Bacterial polysaccharide outer membrane secretin
分子名称: Poly-beta-1,6-N-acetyl-D-glucosamine export protein
著者Wang, Y, AndolePannuri, A, Ni, D, Zhou, H, Cao, X, Lu, X, Romeo, T, Huang, Y.
登録日2015-02-09
公開日2016-03-16
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.821 Å)
主引用文献Structural Basis for Translocation of a Biofilm-supporting Exopolysaccharide across the Bacterial Outer Membrane
J.Biol.Chem., 291, 2016
4ZRI
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BU of 4zri by Molmil
Crystal structure of Merlin-FERM and Lats2
分子名称: Merlin, Serine/threonine-protein kinase LATS2
著者Li, F, Zhou, H, Long, J, Shen, Y.
登録日2015-05-12
公開日2015-06-17
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Angiomotin binding-induced activation of Merlin/NF2 in the Hippo pathway
Cell Res., 25, 2015
7MD5
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BU of 7md5 by Molmil
Insulin receptor ectodomain dimer complexed with two IRPA-9 partial agonists
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Gomez-Llorente, Y, Zhou, H, Scapin, G.
登録日2021-04-03
公開日2022-02-23
最終更新日2022-03-02
実験手法ELECTRON MICROSCOPY (5.2 Å)
主引用文献Functionally selective signaling and broad metabolic benefits by novel insulin receptor partial agonists.
Nat Commun, 13, 2022
7MD4
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BU of 7md4 by Molmil
Insulin receptor ectodomain dimer complexed with two IRPA-3 partial agonists
分子名称: Insulin B chain, Insulin chain A, Isoform Short of Insulin receptor, ...
著者Gomez-Llorente, Y, Zhou, H, Scapin, G.
登録日2021-04-03
公開日2022-02-23
最終更新日2022-03-02
実験手法ELECTRON MICROSCOPY (4.5 Å)
主引用文献Functionally selective signaling and broad metabolic benefits by novel insulin receptor partial agonists.
Nat Commun, 13, 2022
8DK3
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CryoEM structure of Pseudomonas aeruginosa PA14 JetC ATPase domain bound to DNA and cWHD domain of JetA
分子名称: DNA (26-MER), JetA, JetC, ...
著者Deep, A, Gu, Y, Gao, Y, Ego, K, Herzik, M, Zhou, H, Corbett, K.
登録日2022-07-01
公開日2022-10-05
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (3.28 Å)
主引用文献The SMC-family Wadjet complex protects bacteria from plasmid transformation by recognition and cleavage of closed-circular DNA.
Mol.Cell, 82, 2022
4REG
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BU of 4reg by Molmil
Crystal Structure Analysis of PF0642
分子名称: Uncharacterized protein
著者He, J.H, Zhou, H, Liu, X.P.
登録日2014-09-23
公開日2015-10-28
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.494 Å)
主引用文献Structural and functional characterization of PF0642
To be Published

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件を2024-10-16に公開中

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