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PDB: 1404 件
7WO3
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BU of 7wo3 by Molmil
SARS-CoV-2 3CLpro
分子名称: (2S)-2-[[(2S)-2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]-3-methyl-butanoyl]amino]-4-methyl-N-[(2S)-1-oxidanylidene-3-[(3S)-2-oxidanylidenepiperidin-3-yl]propan-2-yl]pentanamide, 3C-like proteinase
著者Wang, Y, Ye, S.
登録日2022-01-20
公開日2022-04-13
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Discovery of SARS-CoV-2 3CL Pro Peptidomimetic Inhibitors through the Catalytic Dyad Histidine-Specific Protein-Ligand Interactions.
Int J Mol Sci, 23, 2022
5W87
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BU of 5w87 by Molmil
Crystal structure of the C-terminal lobe of the human HERC6 HECT domain
分子名称: PHOSPHATE ION, Probable E3 ubiquitin-protein ligase HERC6
著者WANG, Y, BELLESIS, A.G, ROYER, W.E, SPRATT, D.E.
登録日2017-06-21
公開日2018-07-04
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.199 Å)
主引用文献Crystal structure of the C-terminal lobe of the human HERC6 HECT domain
To Be Published
5WYI
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BU of 5wyi by Molmil
The Yaf9 YEATS domain Recognizing H3K122suc Peptide
分子名称: (2S)-2-azanyl-6-[(4-hydroxy-4-oxo-butanoyl)amino]hexanoic acid, ILE-MET-PRO-LYS-ASP-ILE-GLN-LEU, SUCCINIC ACID, ...
著者Wang, Y, Hao, Q.
登録日2017-01-13
公開日2018-01-17
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The Yaf9 YEATS domain Recognizing H3K122suc Peptide
To Be Published
5XKS
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BU of 5xks by Molmil
Crystal structure of monoacylglycerol lipase from thermophilic Geobacillus sp. 12AMOR
分子名称: Thermostable monoacylglycerol lipase
著者Wang, Y.H, Lan, D.M.
登録日2017-05-09
公開日2018-05-09
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.189 Å)
主引用文献Crystal structure of monoacylglycerol lipase from thermophilic Geobacillus sp. 12AMOR
To Be Published
5XKG
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BU of 5xkg by Molmil
Crystal structure of T2R-TTL-CH1 complex
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-[(3-azanyl-4-methoxy-phenyl)-methyl-amino]chromen-2-one, CALCIUM ION, ...
著者Wang, Y, Yang, J, Wang, T, Chen, L.
登録日2017-05-07
公開日2018-04-18
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Identification of a powerful and reversible microtubule-inhibitor with efficacy against multidrug-resistant tumors
To Be Published
4IW1
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BU of 4iw1 by Molmil
HSA-fructose complex
分子名称: D-fructose, PHOSPHATE ION, Serum albumin, ...
著者Wang, Y, Yu, H, Shi, X, Huang, M.
登録日2013-01-23
公開日2013-04-24
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.56 Å)
主引用文献Structural mechanism of ring-opening reaction of glucose by human serum albumin
J.Biol.Chem., 288, 2013
5XKH
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Crystal structure of T2R-TTL-CF1 complex
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-[(4-methoxy-3-oxidanyl-phenyl)-methyl-amino]chromen-2-one, CALCIUM ION, ...
著者Wang, Y, Yang, J, Wang, T, Chen, L.
登録日2017-05-07
公開日2018-06-20
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Identification of a powerful and reversible microtubule-inhibitor with efficacy against multidrug-resistant tumors
To Be Published
4JFM
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BU of 4jfm by Molmil
Increasing the Efficiency Efficiency of Ligands for the FK506-Binding Protein 51 by Conformational Control: Complex of FKBP51 with 2-(3,4-dimethoxyphenoxy)ethyl (2S)-1-[(2-oxo-2,3-dihydro-1,3-benzothiazol-6-yl)sulfonyl]piperidine-2-carboxylate
分子名称: 2-(3,4-dimethoxyphenoxy)ethyl (2S)-1-[(2-oxo-2,3-dihydro-1,3-benzothiazol-6-yl)sulfonyl]piperidine-2-carboxylate, Peptidyl-prolyl cis-trans isomerase FKBP5
著者Wang, Y, Kirschner, A, Fabian, A, Gopalakrishnan, R, Kress, C, Hoogeland, B, Koch, U, Kozany, C, Bracher, A, Hausch, F.
登録日2013-02-28
公開日2013-08-28
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.02 Å)
主引用文献Increasing the efficiency of ligands for FK506-binding protein 51 by conformational control.
J.Med.Chem., 56, 2013
5Y8V
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Crystal structure of GAS41
分子名称: MAGNESIUM ION, YEATS domain-containing protein 4
著者Wang, Y, Hao, Q.
登録日2017-08-21
公開日2018-04-25
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.61 Å)
主引用文献Identification of the YEATS domain of GAS41 as a pH-dependent reader of histone succinylation
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
4K2C
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BU of 4k2c by Molmil
HSA Ligand Free
分子名称: Serum albumin
著者Wang, Y, Luo, Z, Shi, X, Huang, M.
登録日2013-04-08
公開日2013-05-01
最終更新日2018-02-21
実験手法X-RAY DIFFRACTION (3.23 Å)
主引用文献Structural mechanism of ring-opening reaction of glucose by human serum albumin.
J. Biol. Chem., 288, 2013
4JFJ
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Increasing the Efficiency Efficiency of Ligands for the FK506-Binding Protein 51 by Conformational Control: Complex of FKBP51 with compound (1S,6R)-10-(1,3-benzothiazol-6-ylsulfonyl)-3-[2-(3,4-dimethoxyphenoxy)ethyl]-3,10-diazabicyclo[4.3.1]decan-2-one
分子名称: (1S,6R)-10-(1,3-benzothiazol-6-ylsulfonyl)-3-[2-(3,4-dimethoxyphenoxy)ethyl]-3,10-diazabicyclo[4.3.1]decan-2-one, Peptidyl-prolyl cis-trans isomerase FKBP5
著者Wang, Y, Kirschner, A, Fabian, A, Gopalakrishnan, R, Kress, C, Hoogeland, B, Koch, U, Kozany, C, Bracher, A, Hausch, F.
登録日2013-02-28
公開日2013-08-28
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.08 Å)
主引用文献Increasing the efficiency of ligands for FK506-binding protein 51 by conformational control.
J.Med.Chem., 56, 2013
4M8M
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BU of 4m8m by Molmil
Crystal structure of the active dimer of zebrafish PlexinC1 cytoplasmic region
分子名称: GCN4 coiled-coil fused zebrafish PlexinC1
著者Wang, Y, Pascoe, H.G, Zhang, X.
登録日2013-08-13
公開日2013-10-09
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (3.307 Å)
主引用文献Structural basis for activation and non-canonical catalysis of the Rap GTPase activating protein domain of plexin.
Elife, 2, 2013
4JFL
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BU of 4jfl by Molmil
Increasing the Efficiency Efficiency of Ligands for the FK506-Binding Protein 51 by Conformational Control: Complex of FKBP51 with 6-({(1S,5R)-3-[2-(3,4-dimethoxyphenoxy)ethyl]-2-oxo-3,9-diazabicyclo[3.3.1]non-9-yl}sulfonyl)-1,3-benzothiazol-2(3H)-one
分子名称: 6-({(1S,5R)-3-[2-(3,4-dimethoxyphenoxy)ethyl]-2-oxo-3,9-diazabicyclo[3.3.1]non-9-yl}sulfonyl)-1,3-benzothiazol-2(3H)-one, Peptidyl-prolyl cis-trans isomerase FKBP5
著者Wang, Y, Kirschner, A, Fabian, A, Gopalakrishnan, R, Kress, C, Hoogeland, B, Koch, U, Kozany, C, Bracher, A, Hausch, F.
登録日2013-02-28
公開日2013-08-28
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Increasing the efficiency of ligands for FK506-binding protein 51 by conformational control.
J.Med.Chem., 56, 2013
4JFI
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Increasing the Efficiency Efficiency of Ligands for the FK506-Binding Protein 51 by Conformational Control: Complex of FKBP51 with compound 1-[(9S,13R,13aR)-1,3-dimethoxy-8-oxo-5,8,9,10,11,12,13,13a-octahydro-6H-9,13-epiminoazocino[2,1-a]isoquinolin-14-yl]-2-(3,4,5-trimethoxyphenyl)ethane-1,2-dione
分子名称: 1-[(9S,13R,13aR)-1,3-dimethoxy-8-oxo-5,8,9,10,11,12,13,13a-octahydro-6H-9,13-epiminoazocino[2,1-a]isoquinolin-14-yl]-2-(3,4,5-trimethoxyphenyl)ethane-1,2-dione, DIMETHYL SULFOXIDE, GLYCEROL, ...
著者Wang, Y, Kirschner, A, Fabian, A, Gopalakrishnan, R, Kress, C, Hoogeland, B, Koch, U, Kozany, C, Bracher, A, Hausch, F.
登録日2013-02-28
公開日2013-08-28
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.05 Å)
主引用文献Increasing the efficiency of ligands for FK506-binding protein 51 by conformational control.
J.Med.Chem., 56, 2013
4JFK
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BU of 4jfk by Molmil
Increasing the Efficiency Efficiency of Ligands for the FK506-Binding Protein 51 by Conformational Control: Complex of FKBP51 with (1S,6R)-3-[2-(3,4-dimethoxyphenoxy)ethyl]-10-[(2-oxo-2,3-dihydro-1,3-benzothiazol-6-yl)sulfonyl]-3,10-diazabicyclo[4.3.1]decan-2-one
分子名称: (1S,6R)-3-[2-(3,4-dimethoxyphenoxy)ethyl]-10-[(2-oxo-2,3-dihydro-1,3-benzothiazol-6-yl)sulfonyl]-3,10-diazabicyclo[4.3.1]decan-2-one, Peptidyl-prolyl cis-trans isomerase FKBP5
著者Wang, Y, Kirschner, A, Fabian, A, Gopalakrishnan, R, Kress, C, Hoogeland, B, Koch, U, Kozany, C, Bracher, A, Hausch, F.
登録日2013-02-28
公開日2013-08-28
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献Increasing the efficiency of ligands for FK506-binding protein 51 by conformational control.
J.Med.Chem., 56, 2013
4IW2
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BU of 4iw2 by Molmil
HSA-glucose complex
分子名称: D-glucose, PHOSPHATE ION, Serum albumin, ...
著者Wang, Y, Yu, H, Shi, X, Luo, Z, Huang, M.
登録日2013-01-23
公開日2013-04-24
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.41 Å)
主引用文献Structural mechanism of ring-opening reaction of glucose by human serum albumin
J.Biol.Chem., 288, 2013
2H4Z
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Human bisphosphoglycerate mutase complexed with 2,3-bisphosphoglycerate
分子名称: (2R)-2,3-diphosphoglyceric acid, Bisphosphoglycerate mutase
著者Wang, Y, Gong, W.
登録日2006-05-25
公開日2006-10-24
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Seeing the process of histidine phosphorylation in human bisphosphoglycerate mutase.
J.Biol.Chem., 281, 2006
6ISO
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BU of 6iso by Molmil
Human SIRT3 Recognizing H3K4cr
分子名称: (2E)-BUT-2-ENAL, ARG-THR-LYS-GLN-THR-ALA-ARG, GLYCEROL, ...
著者Wang, Y, Hao, Q.
登録日2018-11-17
公開日2019-01-23
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献Identification of 'erasers' for lysine crotonylated histone marks using a chemical proteomics approach.
Elife, 3, 2014
7X7D
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BU of 7x7d by Molmil
SARS-CoV-2 Delta RBD and Nb22
分子名称: Nb22, Spike protein S1
著者Wang, Y, Ye, S.
登録日2022-03-09
公開日2022-04-13
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.92 Å)
主引用文献Short-Term Instantaneous Prophylaxis and Efficient Treatment Against SARS-CoV-2 in hACE2 Mice Conferred by an Intranasal Nanobody (Nb22).
Front Immunol, 13, 2022
7X7E
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BU of 7x7e by Molmil
SARS-CoV-2 RBD and Nb22
分子名称: Nb22, Spike protein S1, TETRAETHYLENE GLYCOL
著者Wang, Y, Ye, S.
登録日2022-03-09
公開日2022-04-20
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.67 Å)
主引用文献Short-Term Instantaneous Prophylaxis and Efficient Treatment Against SARS-CoV-2 in hACE2 Mice Conferred by an Intranasal Nanobody (Nb22).
Front Immunol, 13, 2022
2H4X
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Human bisphosphoglycerate mutase complex with 3-phosphoglycerate with crystal growth 90 days
分子名称: 3-PHOSPHOGLYCERIC ACID, Bisphosphoglycerate mutase
著者Wang, Y, Gong, W.
登録日2006-05-25
公開日2006-10-24
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Seeing the process of histidine phosphorylation in human bisphosphoglycerate mutase.
J.Biol.Chem., 281, 2006
2HHJ
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BU of 2hhj by Molmil
Human bisphosphoglycerate mutase complexed with 2,3-bisphosphoglycerate (15 days)
分子名称: (2R)-2,3-diphosphoglyceric acid, 3-PHOSPHOGLYCERIC ACID, Bisphosphoglycerate mutase, ...
著者Wang, Y, Gong, W.
登録日2006-06-28
公開日2006-10-24
最終更新日2016-07-27
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Seeing the process of histidine phosphorylation in human bisphosphoglycerate mutase.
J.Biol.Chem., 281, 2006
8JKE
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BU of 8jke by Molmil
AfsR(T337A) transcription activation complex
分子名称: DNA(65-MER), DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, ...
著者Wang, Y, Zheng, J.
登録日2023-06-01
公開日2024-02-14
最終更新日2024-04-03
実験手法ELECTRON MICROSCOPY (3.67 Å)
主引用文献Structural and functional characterization of AfsR, an SARP family transcriptional activator of antibiotic biosynthesis in Streptomyces.
Plos Biol., 22, 2024
3SO9
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Darunavir in Complex with a Human Immunodeficiency Virus Type 1 Protease Variant
分子名称: (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, HIV-1 protease
著者Wang, Y, Liu, Z, Brunzelle, S.J, Kovari, L.C, Kovari, I.A.
登録日2011-06-30
公開日2011-10-12
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.87 Å)
主引用文献The higher barrier of darunavir and tipranavir resistance for HIV-1 protease.
Biochem.Biophys.Res.Commun., 412, 2011
7WOH
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BU of 7woh by Molmil
SARS-CoV-2 3CLpro
分子名称: (2S)-4-methyl-N-[(2S)-1-oxidanylidene-3-[(3S)-2-oxidanylidenepiperidin-3-yl]propan-2-yl]-2-[[(2S)-3-phenyl-2-[[(E)-3-phenylprop-2-enoyl]amino]propanoyl]amino]pentanamide, 3C-like proteinase
著者Wang, Y, Ye, S.
登録日2022-01-21
公開日2022-04-13
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献Discovery of SARS-CoV-2 3CL Pro Peptidomimetic Inhibitors through the Catalytic Dyad Histidine-Specific Protein-Ligand Interactions.
Int J Mol Sci, 23, 2022

221051

件を2024-06-12に公開中

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