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PDB: 1554 件
5XPS
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BU of 5xps by Molmil
Crystal Structure of Transketolase in complex with erythrose-4-phosphate from Pichia Stipitis
分子名称: CALCIUM ION, DI(HYDROXYETHYL)ETHER, ERYTHOSE-4-PHOSPHATE, ...
著者Li, T.L, Hsu, N.S, Wang, Y.L.
登録日2017-06-04
公開日2018-06-06
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.07 Å)
主引用文献Evidence of Diradicals Involved in the Yeast Transketolase Catalyzed Keto-Transferring Reactions.
Chembiochem, 19, 2018
7VJL
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BU of 7vjl by Molmil
The crystal structure of FGFR4 kinase domain in complex with N-(5-cyano-4-((2-methoxyethyl)amino)pyridin-2-yl)-7-(2,2,2-trifluoroacetyl)-3,4-dihydro-1,8-naphthyridine-1(2H)-carboxamide
分子名称: Fibroblast growth factor receptor 4, N-[5-(aminomethyl)-4-(2-methoxyethylamino)pyridin-2-yl]-7-[2,2,2-tris(fluoranyl)ethanoyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
著者Zhang, Z.M, Wang, Y.J.
登録日2021-09-28
公開日2022-02-23
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.900173 Å)
主引用文献Characterization of an aromatic trifluoromethyl ketone as a new warhead for covalently reversible kinase inhibitor design.
Bioorg.Med.Chem., 50, 2021
6QGD
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BU of 6qgd by Molmil
Structure of human Mcl-1 in complex with thienopyrimidine inhibitor
分子名称: 2-[(6-ethyl-5-phenyl-thieno[2,3-d]pyrimidin-4-yl)amino]-3-oxidanyl-propanoic acid, Maltose-binding periplasmic protein,Induced myeloid leukemia cell differentiation protein Mcl-1, SODIUM ION, ...
著者Dokurno, P, Murray, J, Davidson, J, Chen, I, Davis, B, Graham, C.J, Harris, R, Jordan, A.M, Matassova, N, Pedder, C, Ray, S, Roughley, S, Smith, J, Walmsley, C, Wang, Y, Whitehead, N, Williamson, D.S, Casara, P, Le Diguarher, T, Hickman, J, Stark, J, Kotschy, A, Geneste, O, Hubbard, R.E.
登録日2019-01-11
公開日2019-06-12
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Establishing Drug Discovery and Identification of Hit Series for the Anti-apoptotic Proteins, Bcl-2 and Mcl-1.
Acs Omega, 4, 2019
6QGG
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BU of 6qgg by Molmil
Structure of human Bcl-2 in complex with analogue of ABT-737
分子名称: Apoptosis regulator Bcl-2,Bcl-2-like protein 1,Apoptosis regulator Bcl-2,Bcl-2-like protein 1, [(3~{R})-3-[[4-[[4-[4-[[2-(4-chlorophenyl)phenyl]methyl]piperazin-1-yl]phenyl]carbonylsulfamoyl]-2-nitro-phenyl]amino]-4-phenylsulfanyl-butyl]-(2-hydroxy-2-oxoethyl)-dimethyl-azanium
著者Dokurno, P, Murray, J, Davidson, J, Chen, I, Davis, B, Graham, C.J, Harris, R, Jordan, A.M, Matassova, N, Pedder, C, Ray, S, Roughley, S, Smith, J, Walmsley, C, Wang, Y, Whitehead, N, Williamson, D.S, Casara, P, Le Diguarher, T, Hickman, J, Stark, J, Kotschy, A, Geneste, O, Hubbard, R.E.
登録日2019-01-11
公開日2019-06-12
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Establishing Drug Discovery and Identification of Hit Series for the Anti-apoptotic Proteins, Bcl-2 and Mcl-1.
Acs Omega, 4, 2019
5XTX
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BU of 5xtx by Molmil
Crystal Structure of Transketolase in complex with TPP intermediate VII from Pichia Stipitis
分子名称: 2-[3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methylidene-2-[(2S,3S,4R,5R)-1,2,3,4,5-pentakis(oxidanyl)-6-phosphonooxy-hexan-2-yl]-1,3-thiazolidin-5-yl]ethyl phosphono hydrogen phosphate, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ...
著者Li, T.L, Hsu, N.S, Wang, Y.L.
登録日2017-06-21
公開日2018-06-27
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.049 Å)
主引用文献Evidence of Diradicals Involved in the Yeast Transketolase Catalyzed Keto-Transferring Reactions.
Chembiochem, 19, 2018
5XU9
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Crystal Structure of Transketolase in complex with TPP intermediate IX and gauche form erythrose-4-phosphate from Pichia Stipitis
分子名称: 2-[(2E)-3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-2-[1,2-bis(oxidanyl)ethylidene]-4-methyl-1,3-thiazol-5-yl]ethyl phosphono hydrogen phosphate, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ...
著者Li, T.L, Hsu, N.S, Wang, Y.L.
登録日2017-06-22
公開日2018-06-27
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.166 Å)
主引用文献Evidence of Diradicals Involved in the Yeast Transketolase Catalyzed Keto-Transferring Reactions.
Chembiochem, 19, 2018
3I6O
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BU of 3i6o by Molmil
Crystal structure of wild type HIV-1 protease with macrocyclic inhibitor GRL-0216A
分子名称: (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(1S,2R)-1-benzyl-2-hydroxy-3-[(7E)-13-methoxy-1,1-dioxido-3,4,5,6,9,10-hexahydro-2H-11,1,2-benzoxathiazacyclotridecin-2-yl]propyl}carbamate, GLYCEROL, IODIDE ION, ...
著者Chumanevich, A.A, Wang, Y.-F, Kovalevsky, A.Y, Weber, I.T.
登録日2009-07-07
公開日2009-09-29
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.17 Å)
主引用文献Design, Synthesis, Protein-Ligand X-ray Structure, and Biological Evaluation of a Series of Novel Macrocyclic Human Immunodeficiency Virus-1 Protease Inhibitors to Combat Drug Resistance.
J.Med.Chem., 52, 2009
5XQK
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BU of 5xqk by Molmil
Crystal Structure of Transketolase in complex with xylulose-5-phosphate from Pichia Stipitis
分子名称: 2-C-{3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thia zol-3-ium-2-yl}-5-O-phosphono-D-xylitol, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ...
著者Li, T.L, Hsu, N.S, Wang, Y.L.
登録日2017-06-07
公開日2018-06-13
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.12 Å)
主引用文献Evidence of Diradicals Involved in the Yeast Transketolase Catalyzed Keto-Transferring Reactions.
Chembiochem, 19, 2018
6DXE
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BU of 6dxe by Molmil
Crystal structure of chalcone synthase from Arabidopsis thaliana - M64I F170S G173A S213G Q217A T270V C347S mutant
分子名称: Chalcone synthase
著者Liou, G, Chiang, Y.C, Wang, Y, Weng, J.K.
登録日2018-06-28
公開日2018-10-17
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.608 Å)
主引用文献Mechanistic basis for the evolution of chalcone synthase catalytic cysteine reactivity in land plants.
J. Biol. Chem., 293, 2018
3MBR
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BU of 3mbr by Molmil
Crystal Structure of the Glutaminyl Cyclase from Xanthomonas campestris
分子名称: CALCIUM ION, Glutamine cyclotransferase
著者Huang, W.-L, Wang, Y.-R, Ko, T.-P, Chia, C.-Y, Huang, K.-F, Wang, A.H.-J.
登録日2010-03-25
公開日2010-06-30
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.44 Å)
主引用文献Crystal structure and functional analysis of the glutaminyl cyclase from Xanthomonas campestris
J.Mol.Biol., 401, 2010
7V5S
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BU of 7v5s by Molmil
Crystal structure of human bleomycin hydrolase C73A mutant
分子名称: Bleomycin hydrolase, TETRAETHYLENE GLYCOL, TRIETHYLENE GLYCOL
著者Chang, C.Y, Zheng, Y.Z, Huang, S.J, Wang, Y.L, Toh, S.I, Lin, E.C.
登録日2021-08-18
公開日2022-06-29
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.02 Å)
主引用文献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
分子名称: Bleomycin hydrolase
著者Chang, C.Y, Zheng, Y.Z, Huang, S.J, Wang, Y.L, Toh, S.I, Lin, E.C.
登録日2021-08-17
公開日2022-06-29
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献The Structure-Function Relationship of Human Bleomycin Hydrolase: Mutation of a Cysteine Protease into a Serine Protease.
Chembiochem, 23, 2022
6DX8
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BU of 6dx8 by Molmil
Crystal structure of chalcone synthase from Selaginella moellendorffii
分子名称: Chalcone synthase
著者Liou, G, Chiang, Y.C, Wang, Y, Weng, J.K.
登録日2018-06-28
公開日2018-10-17
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Mechanistic basis for the evolution of chalcone synthase catalytic cysteine reactivity in land plants.
J. Biol. Chem., 293, 2018
5XQA
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BU of 5xqa by Molmil
Crystal Structure of Transketolase in complex with ribose-5-phosphate from Pichia Stipitis
分子名称: 5-O-phosphono-alpha-D-ribofuranose, CALCIUM ION, THIAMINE DIPHOSPHATE, ...
著者Li, T.L, Hsu, N.S, Wang, Y.L.
登録日2017-06-06
公開日2018-06-06
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.14 Å)
主引用文献Evidence of Diradicals Involved in the Yeast Transketolase Catalyzed Keto-Transferring Reactions.
Chembiochem, 19, 2018
7V5T
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BU of 7v5t by Molmil
Crystal structure of human bleomycin hydrolase C73S mutant
分子名称: Bleomycin hydrolase
著者Chang, C.Y, Zheng, Y.Z, Huang, S.J, Wang, Y.L, Toh, S.I, Lin, E.C.
登録日2021-08-18
公開日2022-06-29
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.25 Å)
主引用文献The Structure-Function Relationship of Human Bleomycin Hydrolase: Mutation of a Cysteine Protease into a Serine Protease.
Chembiochem, 23, 2022
5XRV
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BU of 5xrv by Molmil
Crystal Structure of Transketolase in complex with TPP_V and fructose-6-phosphate from Pichia Stipitis
分子名称: 2-[(5S)-3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methylidene-1,3-thiazolidin-5-yl]ethyl phosphono hydrogen phosphate, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ...
著者Li, T.L, Hsu, N.S, Wang, Y.L.
登録日2017-06-09
公開日2018-06-13
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Evidence of Diradicals Involved in the Yeast Transketolase Catalyzed Keto-Transferring Reactions.
Chembiochem, 19, 2018
6DXA
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BU of 6dxa by Molmil
Crystal structure of chalcone synthase from Pinus sylvestris
分子名称: Chalcone synthase
著者Liou, G, Chiang, Y.C, Wang, Y, Weng, J.K.
登録日2018-06-28
公開日2018-10-17
最終更新日2019-11-27
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Mechanistic basis for the evolution of chalcone synthase catalytic cysteine reactivity in land plants.
J. Biol. Chem., 293, 2018
5VEW
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BU of 5vew by Molmil
Structure of the human GLP-1 receptor complex with PF-06372222
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Glucagon-like peptide 1 receptor,Endolysin chimera, N-{4-[(R)-(3,3-dimethylcyclobutyl)({6-[4-(trifluoromethyl)-1H-imidazol-1-yl]pyridin-3-yl}amino)methyl]benzene-1-carbonyl}-beta-alanine, ...
著者Song, G, Yang, D, Wang, Y, Graaf, C.D, Zhou, Q, Jiang, S, Liu, K, Cai, X, Dai, A, Lin, G, Liu, D, Wu, F, Wu, Y, Zhao, S, Ye, L, Han, G.W, Lau, J, Wu, B, Hanson, M.A, Liu, Z.-J, Wang, M.-W, Stevens, R.C.
登録日2017-04-05
公開日2017-05-24
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Human GLP-1 receptor transmembrane domain structure in complex with allosteric modulators.
Nature, 546, 2017
5H1L
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BU of 5h1l by Molmil
Crystal structure of WD40 repeat domains of Gemin5 in complex with 7-nt U4 snRNA fragment
分子名称: GLYCEROL, Gem-associated protein 5, U4 snRNA (5'-R(*AP*UP*UP*UP*UP*UP*G)-3')
著者Jin, W, Wang, Y, Liu, C.P, Yang, N, Jin, M, Cong, Y, Wang, M, Xu, R.M.
登録日2016-10-10
公開日2016-11-23
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural basis for snRNA recognition by the double-WD40 repeat domain of Gemin5
Genes Dev., 30, 2016
8HYK
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BU of 8hyk by Molmil
CD-NTase EfCdnE in complex with intermediate pppU[2'-5']p
分子名称: EfCdnE, MAGNESIUM ION, [[(2R,3R,4R,5R)-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-4-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate
著者Ko, T.-P, Wang, Y.-C, Yang, C.-S, Hou, M.-H, Chen, Y.
登録日2023-01-06
公開日2023-07-05
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.021 Å)
主引用文献Crystal structure and functional implications of cyclic di-pyrimidine-synthesizing cGAS/DncV-like nucleotidyltransferases.
Nat Commun, 14, 2023
8TOO
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BU of 8too by Molmil
Crystal structure of Epstein-Barr virus gp42 in complex with antibody 4C12
分子名称: 4C12 heavy chain, 4C12 light chain, Glycoprotein 42
著者Bu, W, Kumar, A, Board, N, Kim, J, Dowdell, K, Zhang, S, Lei, Y, Hostal, A, Krogmann, T, Wang, Y, Pittaluga, S, Marcotrigiano, J, Cohen, J.I.
登録日2023-08-03
公開日2024-03-27
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Epstein-Barr virus gp42 antibodies reveal sites of vulnerability for receptor binding and fusion to B cells.
Immunity, 57, 2024
8TNN
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BU of 8tnn by Molmil
Crystal structure of Epstein-Barr virus gH/gL/gp42 in complex with gp42 antibody A10
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, A10 heavy chain, A10 light chain, ...
著者Bu, W, Kumar, A, Board, N, Kim, J, Dowdell, K, Zhang, S, Lei, Y, Hostal, A, Krogmann, T, Wang, Y, Pittaluga, S, Marcotrigiano, J, Cohen, J.I.
登録日2023-08-02
公開日2024-03-27
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (3.36 Å)
主引用文献Epstein-Barr virus gp42 antibodies reveal sites of vulnerability for receptor binding and fusion to B cells.
Immunity, 57, 2024
6IPQ
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BU of 6ipq by Molmil
Non-native ferritin 8-mer mutant-C90A/C102A/C130A
分子名称: Ferritin heavy chain, MAGNESIUM ION
著者Zang, J, Chen, H, Wang, Y, Zhao, G.
登録日2018-11-03
公開日2019-03-13
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (3.103 Å)
主引用文献Disulfide-mediated conversion of 8-mer bowl-like protein architecture into three different nanocages.
Nat Commun, 10, 2019
8TNT
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BU of 8tnt by Molmil
Crystal structure of Epstein-Barr virus gH/gL/gp42 in complex with antibodies F-2-1 and 769C2
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 769C2 heavy chain, 769C2 light chain, ...
著者Bu, W, Kumar, A, Board, N, Kim, J, Dowdell, K, Zhang, S, Lei, Y, Hostal, A, Krogmann, T, Wang, Y, Pittaluga, S, Marcotrigiano, J, Cohen, J.I.
登録日2023-08-02
公開日2024-03-27
実験手法X-RAY DIFFRACTION (3.15 Å)
主引用文献Epstein-Barr virus gp42 antibodies reveal sites of vulnerability for receptor binding and fusion to B cells.
Immunity, 57, 2024
5H1M
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Crystal structure of WD40 repeat domains of Gemin5 in complex with M7G
分子名称: 7N-METHYL-8-HYDROGUANOSINE-5'-DIPHOSPHATE, Gem-associated protein 5
著者Jin, W, Wang, Y, Liu, C.P, Yang, N, Jin, M, Cong, Y, Wang, M, Xu, R.M.
登録日2016-10-10
公開日2016-11-23
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.492 Å)
主引用文献Structural basis for snRNA recognition by the double-WD40 repeat domain of Gemin5
Genes Dev., 30, 2016

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