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5DJU
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BU of 5dju by Molmil
Crystal structure of LOV2 (C450A) domain in complex with Zdk3
分子名称: CHLORIDE ION, Engineered protein, Zdk3 affibody, ...
著者Tarnawski, M, Wang, H, Yumerefendi, H, Hahn, K.M, Schlichting, I.
登録日2015-09-02
公開日2016-07-20
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献LOVTRAP: an optogenetic system for photoinduced protein dissociation.
Nat.Methods, 13, 2016
5DJT
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BU of 5djt by Molmil
Crystal structure of LOV2 (C450A) domain in complex with Zdk2
分子名称: CHLORIDE ION, COPPER (II) ION, Engineered protein, ...
著者Tarnawski, M, Wang, H, Yumerefendi, H, Hahn, K.M, Schlichting, I.
登録日2015-09-02
公開日2016-07-20
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献LOVTRAP: an optogenetic system for photoinduced protein dissociation.
Nat.Methods, 13, 2016
4I15
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BU of 4i15 by Molmil
Crystal structure of TbrPDEB1
分子名称: Class 1 phosphodiesterase PDEB1, MAGNESIUM ION, ZINC ION
著者Wang, H, Ke, H.
登録日2012-11-20
公開日2013-03-13
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Discovery of Novel Trypanosoma brucei Phosphodiesterase B1 Inhibitors by Virtual Screening against the Unliganded TbrPDEB1 Crystal Structure.
J.Med.Chem., 56, 2013
4IQ8
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BU of 4iq8 by Molmil
Crystal structure of glyceraldehyde-3-phosphate dehydrogenase 3 from Saccharomyces cerevisiae
分子名称: Glyceraldehyde-3-phosphate dehydrogenase 3
著者Wang, H, Liu, Q, Niu, L, Teng, M, Li, X.
登録日2013-01-11
公開日2013-02-06
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.49 Å)
主引用文献Preliminary crystallographic analysis of glyceraldehyde-3-phosphate dehydrogenase 3 from Saccharomyces cerevisiae.
Acta Crystallogr.,Sect.F, 68, 2012
8JHO
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BU of 8jho by Molmil
Cryo-EM structure of the histone deacetylase complex Rpd3S in complex with di-nucleosome
分子名称: Chromatin modification-related protein EAF3, Di-nucleosome template foward, Di-nucleosome template reverse, ...
著者Wang, H.
登録日2023-05-25
公開日2023-09-27
最終更新日2023-12-27
実験手法ELECTRON MICROSCOPY (7.6 Å)
主引用文献Structure of histone deacetylase complex Rpd3S bound to nucleosome.
Nat.Struct.Mol.Biol., 30, 2023
5EFW
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BU of 5efw by Molmil
Crystal structure of LOV2-Zdk1 - the complex of oat LOV2 and the affibody protein Zdark1
分子名称: FLAVIN MONONUCLEOTIDE, NPH1-1, SULFATE ION, ...
著者Winkler, A, Wang, H, Hartmann, E, Hahn, K, Schlichting, I.
登録日2015-10-26
公開日2016-07-20
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献LOVTRAP: an optogenetic system for photoinduced protein dissociation.
Nat.Methods, 13, 2016
2DUC
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BU of 2duc by Molmil
Crystal structure of SARS coronavirus main proteinase(3CLPRO)
分子名称: Replicase polyprotein 1ab
著者Wang, H, Kim, Y.T, Muramatsu, T, Takemoto, C, Shirouzu, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日2006-07-21
公開日2007-07-24
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献SARS-CoV 3CL protease cleaves its C-terminal autoprocessing site by novel subsite cooperativity
Proc. Natl. Acad. Sci. U.S.A., 113, 2016
5WH5
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BU of 5wh5 by Molmil
Crystal structure of the PDE4D2 catalytic domain in complex with inhibitor (R)-Zl-n-91
分子名称: 1-[4-(difluoromethoxy)-3-{[(3R)-oxolan-3-yl]oxy}phenyl]-3-methylbutan-1-one, MAGNESIUM ION, ZINC ION, ...
著者Wang, H.
登録日2017-07-14
公開日2018-07-18
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Identification of a PDE4-Specific Pocket for the Design of Selective Inhibitors.
Biochemistry, 57, 2018
5B6O
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BU of 5b6o by Molmil
Crystal structure of MS8104
分子名称: 3C-like proteinase
著者Wang, H, Kim, Y, Muramatsu, T, Takemoto, C, Shirouzu, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日2016-05-31
公開日2016-06-15
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.202 Å)
主引用文献SARS-CoV 3CL protease cleaves its C-terminal autoprocessing site by novel subsite cooperativity
Proc. Natl. Acad. Sci. U.S.A., 113, 2016
4Q4C
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BU of 4q4c by Molmil
Crystal structure of the catalytic domain of human diphosphoinositol pentakisphosphate kinase 2 (PPIP5K2) in complex with ADP and synthetic 1,5-(PP)2-IP4 (1,5-IP8)
分子名称: (1R,3S,4R,5S,6R)-2,4,5,6-tetrakis(phosphonooxy)cyclohexane-1,3-diyl bis[trihydrogen (diphosphate)], ADENOSINE-5'-DIPHOSPHATE, Inositol hexakisphosphate and diphosphoinositol-pentakisphosphate kinase 2, ...
著者Wang, H, Shears, S.B.
登録日2014-04-14
公開日2014-08-06
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Synthesis of Densely Phosphorylated Bis-1,5-Diphospho-myo-Inositol Tetrakisphosphate and its Enantiomer by Bidirectional P-Anhydride Formation.
Angew.Chem.Int.Ed.Engl., 53, 2014
4Q4D
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BU of 4q4d by Molmil
Crystal structure of the catalytic domain of human diphosphoinositol pentakisphosphate kinase 2 (PPIP5K2) in complex with AMP-PNP and synthetic 3,5-(PP)2-IP4 (3,5-IP8)
分子名称: (1R,3S,4S,5R,6S)-2,4,5,6-tetrakis(phosphonooxy)cyclohexane-1,3-diyl bis[trihydrogen (diphosphate)], Inositol hexakisphosphate and diphosphoinositol-pentakisphosphate kinase 2, MAGNESIUM ION, ...
著者Wang, H, Shears, S.B.
登録日2014-04-14
公開日2014-08-06
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Synthesis of Densely Phosphorylated Bis-1,5-Diphospho-myo-Inositol Tetrakisphosphate and its Enantiomer by Bidirectional P-Anhydride Formation.
Angew.Chem.Int.Ed.Engl., 53, 2014
5BYA
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BU of 5bya by Molmil
Crystal structure of the catalytic domain of human diphosphoinositol pentakisphosphate kinase 2 (PPIP5K2) in complex with ADP and 1,5-(PCP)2-IP4
分子名称: 1,2-ETHANEDIOL, ACETATE ION, ADENOSINE-5'-DIPHOSPHATE, ...
著者Wang, H, Shears, S.B.
登録日2015-06-10
公開日2015-07-22
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Synthetic tools for studying the chemical biology of InsP8.
Chem.Commun.(Camb.), 51, 2015
5BYB
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BU of 5byb by Molmil
Crystal structure of the catalytic domain of human diphosphoinositol pentakisphosphate kinase 2 (PPIP5K2) in complex with ADP and 1,5-(PA)2-IP4
分子名称: 1,2-ETHANEDIOL, ACETATE ION, ADENOSINE-5'-DIPHOSPHATE, ...
著者Wang, H, Shears, S.B.
登録日2015-06-10
公開日2015-07-22
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Synthetic tools for studying the chemical biology of InsP8.
Chem.Commun.(Camb.), 51, 2015
5DGH
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BU of 5dgh by Molmil
Crystal structure of the catalytic domain of human diphosphoinositol pentakisphosphate kinase 2 (PPIP5K2) in complex with AMP-PNP and 5-(PCP)-IP5
分子名称: 1,2-ETHANEDIOL, ACETATE ION, Inositol hexakisphosphate and diphosphoinositol-pentakisphosphate kinase 2, ...
著者Wang, H, Shears, S.B.
登録日2015-08-27
公開日2016-08-10
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Cellular Cations Control Conformational Switching of Inositol Pyrophosphate Analogues.
Chemistry, 22, 2016
5DGI
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BU of 5dgi by Molmil
Crystal structure of the catalytic domain of human diphosphoinositol pentakisphosphate kinase 2 (PPIP5K2) in complex with ADP and 3,5-(PCP)2-IP4
分子名称: 1,2-ETHANEDIOL, 3,5-di-methylenebisphosphonate inositol tetrakisphosphate, ACETATE ION, ...
著者Wang, H, Shears, S.B.
登録日2015-08-27
公開日2016-08-10
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Cellular Cations Control Conformational Switching of Inositol Pyrophosphate Analogues.
Chemistry, 22, 2016
6LHE
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BU of 6lhe by Molmil
Crystal Structure of Gold-bound NDM-1
分子名称: GOLD ION, Metallo-beta-lactamase type 2, SULFATE ION
著者Wang, H, Sun, H, Wang, M.
登録日2019-12-07
公開日2020-09-16
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.206 Å)
主引用文献Resensitizing carbapenem- and colistin-resistant bacteria to antibiotics using auranofin.
Nat Commun, 11, 2020
8H3G
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BU of 8h3g by Molmil
Crystal Structure of SARS-CoV-2 Main Protease (Mpro) E166V Mutant in Complex with Inhibitor Enstrelvir
分子名称: 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, GLYCEROL
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 (1.46 Å)
主引用文献Molecular mechanisms of SARS-CoV-2 resistance to nirmatrelvir.
Nature, 622, 2023
8H3L
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BU of 8h3l by Molmil
Crystal Structure of SARS-CoV-2 Main Protease (Mpro) Double Mutant (T21I and E166V) in Complex with Inhibitor Enstrelvir
分子名称: 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 (2.3 Å)
主引用文献Molecular mechanisms of SARS-CoV-2 resistance to nirmatrelvir.
Nature, 622, 2023
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
5F7H
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BU of 5f7h by Molmil
Human T-cell immunoglobulin and mucin domain protein 4 (hTIM-4) complex with phosphoserine
分子名称: CALCIUM ION, PHOSPHOSERINE, T-cell immunoglobulin and mucin domain-containing protein 4
著者Gao, G.F, Lu, G, Wang, H, Qi, J.
登録日2015-12-08
公開日2016-02-03
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal structures of human TIM members: Ebolavirus entry-enhancing receptors
Chin.Sci.Bull., 60, 2015
4HN2
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BU of 4hn2 by Molmil
Crystal structure of the catalytic domain of human diphosphoinositol pentakisphosphate kinase 2 (PPIP5K2) in complex with AMPPNP and a substrate analog 5PA-IP5
分子名称: (2-oxo-2-{[(1s,2R,3S,4s,5R,6S)-2,3,4,5,6-pentakis(phosphonooxy)cyclohexyl]oxy}ethyl)phosphonic acid, Inositol hexakisphosphate and diphosphoinositol-pentakisphosphate kinase 2, MAGNESIUM ION, ...
著者Wang, H.
登録日2012-10-18
公開日2012-10-31
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献First synthetic analogues of diphosphoinositol polyphosphates: interaction with PP-InsP(5) kinase.
Chem.Commun.(Camb.), 48, 2012
6AQ4
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BU of 6aq4 by Molmil
CRYSTAL STRUCTURE OF PROTEIN CiTE FROM MYCOBACTERIUM TUBERCULOSIS IN COMPLEX WITH MAGNESIUM, PYRUVATE AND CITRAMALYL-COA
分子名称: CHLORIDE ION, Citramalyl-CoA, Citrate lyase subunit beta-like protein, ...
著者Fedorov, A.A, Fedorov, E.V, Wang, H, Bonanno, J.B, Carvalho, L, Almo, S.C.
登録日2017-08-18
公開日2018-08-01
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.825 Å)
主引用文献An essential bifunctional enzyme inMycobacterium tuberculosisfor itaconate dissimilation and leucine catabolism.
Proc.Natl.Acad.Sci.USA, 116, 2019
6AS5
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BU of 6as5 by Molmil
CRYSTAL STRUCTURE OF PROTEIN CitE FROM MYCOBACTERIUM TUBERCULOSIS IN COMPLEX WITH MAGNESIUM, ACETOACETATE AND COENZYME A
分子名称: ACETOACETIC ACID, COENZYME A, Citrate lyase subunit beta-like protein, ...
著者Fedorov, A.A, Fedorov, E.V, Wang, H, Bonanno, J.B, Carvalho, L, Almo, S.C.
登録日2017-08-23
公開日2018-08-01
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.035 Å)
主引用文献An essential bifunctional enzyme inMycobacterium tuberculosisfor itaconate dissimilation and leucine catabolism.
Proc.Natl.Acad.Sci.USA, 116, 2019
6ARB
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BU of 6arb by Molmil
CRYSTAL STRUCTURE OF PROTEIN CitE FROM MYCOBACTERIUM TUBERCULOSIS IN COMPLEX WITH MAGNESIUM, PYRUVATE AND COENZYME A
分子名称: COENZYME A, Citrate lyase subunit beta-like protein, GLYCEROL, ...
著者Fedorov, A.A, Fedorov, E.V, Wang, H, Bonanno, J.B, Carvalho, L, Almo, S.C.
登録日2017-08-22
公開日2018-08-01
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.717 Å)
主引用文献An essential bifunctional enzyme inMycobacterium tuberculosisfor itaconate dissimilation and leucine catabolism.
Proc.Natl.Acad.Sci.USA, 116, 2019
5F7F
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BU of 5f7f by Molmil
Human T-cell immunoglobulin and mucin domain protein 4 (hTIM-4)
分子名称: T-cell immunoglobulin and mucin domain-containing protein 4
著者Gao, G.F, Lu, G, Wang, H, Qi, J.
登録日2015-12-08
公開日2016-02-03
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.502 Å)
主引用文献Crystal structures of human TIM members: Ebolavirus entry-enhancing receptors
Chin.Sci.Bull., 60, 2015

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