8VLH
 
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4PSQ
 | | Crystal Structure of Retinol-Binding Protein 4 (RBP4) in complex with a non-retinoid ligand | | 分子名称: | (1-benzyl-1H-imidazol-4-yl)[4-(2-chlorophenyl)piperazin-1-yl]methanone, 1,2-ETHANEDIOL, PHOSPHATE ION, ... | | 著者 | Wang, Z, Johnstone, S, Walker, N. | | 登録日 | 2014-03-07 | | 公開日 | 2014-07-02 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Structure-assisted discovery of the first non-retinoid ligands for Retinol-Binding Protein 4.
Bioorg.Med.Chem.Lett., 24, 2014
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6CRZ
 | | SARS Spike Glycoprotein, Trypsin-cleaved, Stabilized variant, C3 symmetry | | 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, Spike glycoprotein,Fibritin, ... | | 著者 | Kirchdoerfer, R.N, Wang, N, Pallesen, J, Turner, H.L, Cottrell, C.A, McLellan, J.S, Ward, A.B. | | 登録日 | 2018-03-19 | | 公開日 | 2018-04-11 | | 最終更新日 | 2024-11-13 | | 実験手法 | ELECTRON MICROSCOPY (3.3 Å) | | 主引用文献 | Stabilized coronavirus spikes are resistant to conformational changes induced by receptor recognition or proteolysis.
Sci Rep, 8, 2018
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7HBL
 | | PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with Fr12214 | | 分子名称: | 3-chloranyl-4-fluoranyl-benzamide, Heat shock protein HSP 90-alpha | | 著者 | Huang, L, Wang, W, Zhu, Z, Li, Q, Li, M, Zhou, H, Xu, Q, Wen, W, Wang, Q, Yu, F. | | 登録日 | 2024-07-10 | | 公開日 | 2025-03-26 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | Novel starting points for fragment-based drug design against human heat-shock protein 90 identified using crystallographic fragment screening.
Iucrj, 12, 2025
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7HAH
 | | PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with PS-5160 | | 分子名称: | Heat shock protein HSP 90-alpha, [4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methanol | | 著者 | Huang, L, Wang, W, Zhu, Z, Li, Q, Li, M, Zhou, H, Xu, Q, Wen, W, Wang, Q, Yu, F. | | 登録日 | 2024-07-10 | | 公開日 | 2025-03-26 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Novel starting points for fragment-based drug design against human heat-shock protein 90 identified using crystallographic fragment screening.
Iucrj, 12, 2025
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7HBQ
 | | PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with FS-2731 | | 分子名称: | 5-bromo-2-(1H-pyrazol-1-yl)pyrimidine, Heat shock protein HSP 90-alpha | | 著者 | Huang, L, Wang, W, Zhu, Z, Li, Q, Li, M, Zhou, H, Xu, Q, Wen, W, Wang, Q, Yu, F. | | 登録日 | 2024-07-10 | | 公開日 | 2025-03-26 | | 実験手法 | X-RAY DIFFRACTION (2.73 Å) | | 主引用文献 | Novel starting points for fragment-based drug design against human heat-shock protein 90 identified using crystallographic fragment screening.
Iucrj, 12, 2025
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1YNJ
 | | Taq RNA polymerase-Sorangicin complex | | 分子名称: | DNA-directed RNA polymerase alpha chain, DNA-directed RNA polymerase beta chain, DNA-directed RNA polymerase beta' chain, ... | | 著者 | Campbell, E.A, Pavlova, O, Zenkin, N, Leon, F, Irschik, H, Jansen, R, Severinov, K, Darst, S.A. | | 登録日 | 2005-01-24 | | 公開日 | 2005-03-15 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | | 主引用文献 | Structural, functional, and genetic analysis of sorangicin inhibition of bacterial RNA polymerase
Embo J., 24, 2005
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7HBU
 | | PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with CC-0741 | | 分子名称: | 1~{H}-indole-7-carboxylic acid, Heat shock protein HSP 90-alpha | | 著者 | Huang, L, Wang, W, Zhu, Z, Li, Q, Li, M, Zhou, H, Xu, Q, Wen, W, Wang, Q, Yu, F. | | 登録日 | 2024-07-10 | | 公開日 | 2025-03-26 | | 実験手法 | X-RAY DIFFRACTION (1.44 Å) | | 主引用文献 | Novel starting points for fragment-based drug design against human heat-shock protein 90 identified using crystallographic fragment screening.
Iucrj, 12, 2025
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7HAP
 | | PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with Fr13088 | | 分子名称: | Heat shock protein HSP 90-alpha, [1-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]methanol | | 著者 | Huang, L, Wang, W, Zhu, Z, Li, Q, Li, M, Zhou, H, Xu, Q, Wen, W, Wang, Q, Yu, F. | | 登録日 | 2024-07-10 | | 公開日 | 2025-03-26 | | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | | 主引用文献 | Novel starting points for fragment-based drug design against human heat-shock protein 90 identified using crystallographic fragment screening.
Iucrj, 12, 2025
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7HBE
 | | PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with Fr12771 | | 分子名称: | 5-methyl-2-(trifluoromethyl)furan-3-carboxamide, Heat shock protein HSP 90-alpha | | 著者 | Huang, L, Wang, W, Zhu, Z, Li, Q, Li, M, Zhou, H, Xu, Q, Wen, W, Wang, Q, Yu, F. | | 登録日 | 2024-07-10 | | 公開日 | 2025-03-26 | | 実験手法 | X-RAY DIFFRACTION (1.79 Å) | | 主引用文献 | Novel starting points for fragment-based drug design against human heat-shock protein 90 identified using crystallographic fragment screening.
Iucrj, 12, 2025
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7HBV
 | | PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with PS-4833 | | 分子名称: | 7-methoxy-1H-pyrrolo[2,3-c]pyridine, Heat shock protein HSP 90-alpha | | 著者 | Huang, L, Wang, W, Zhu, Z, Li, Q, Li, M, Zhou, H, Xu, Q, Wen, W, Wang, Q, Yu, F. | | 登録日 | 2024-07-10 | | 公開日 | 2025-03-26 | | 実験手法 | X-RAY DIFFRACTION (1.56 Å) | | 主引用文献 | Novel starting points for fragment-based drug design against human heat-shock protein 90 identified using crystallographic fragment screening.
Iucrj, 12, 2025
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6CTJ
 | | Ternary complex crystal structure of DNA polymerase Beta with a dideoxy terminated primer with CHCH3, beta, gamma dTTP analogue | | 分子名称: | 5'-O-[(R)-hydroxy({(R)-hydroxy[(1S)-1-phosphonoethyl]phosphoryl}oxy)phosphoryl]thymidine, CHLORIDE ION, DNA (5'-D(*CP*CP*GP*AP*CP*AP*GP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), ... | | 著者 | Batra, V.K, Wilson, S.H. | | 登録日 | 2018-03-23 | | 公開日 | 2018-06-20 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Mapping Functional Substrate-Enzyme Interactions in the pol beta Active Site through Chemical Biology: Structural Responses to Acidity Modification of Incoming dNTPs.
Biochemistry, 57, 2018
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6CTT
 | | Ternary complex crystal structure of DNA polymerase Beta with a dideoxy terminated primer with CHCL (R & S isomers, beta, gamma dCTP analogue | | 分子名称: | 2'-DEOXYCYTIDINE-5'-MONOPHOSPHATE, 5'-O-[(R)-{[(R)-[(R)-chloro(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-2'-deoxycytidine, 5'-O-[(R)-{[(R)-[(S)-chloro(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-2'-deoxycytidine, ... | | 著者 | Batra, V.K, Wilson, S.H. | | 登録日 | 2018-03-23 | | 公開日 | 2018-06-20 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Mapping Functional Substrate-Enzyme Interactions in the pol beta Active Site through Chemical Biology: Structural Responses to Acidity Modification of Incoming dNTPs.
Biochemistry, 57, 2018
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7HBW
 | | PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with PS-4774 | | 分子名称: | 3-bromo-1H-pyrazolo[3,4-c]pyridine, Heat shock protein HSP 90-alpha | | 著者 | Huang, L, Wang, W, Zhu, Z, Li, Q, Li, M, Zhou, H, Xu, Q, Wen, W, Wang, Q, Yu, F. | | 登録日 | 2024-07-10 | | 公開日 | 2025-03-26 | | 実験手法 | X-RAY DIFFRACTION (1.91 Å) | | 主引用文献 | Novel starting points for fragment-based drug design against human heat-shock protein 90 identified using crystallographic fragment screening.
Iucrj, 12, 2025
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4R5A
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7HBX
 | | PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with AS-5591 | | 分子名称: | (3-methyl-5-phenyl-1,2-oxazol-4-yl)methanol, Heat shock protein HSP 90-alpha | | 著者 | Huang, L, Wang, W, Zhu, Z, Li, Q, Li, M, Zhou, H, Xu, Q, Wen, W, Wang, Q, Yu, F. | | 登録日 | 2024-07-10 | | 公開日 | 2025-03-26 | | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | | 主引用文献 | Novel starting points for fragment-based drug design against human heat-shock protein 90 identified using crystallographic fragment screening.
Iucrj, 12, 2025
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7HB7
 | | PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with Fr12696 | | 分子名称: | 2,2-dimethyl-2,3-dihydro-1-benzofuran-7-carboxamide, Heat shock protein HSP 90-alpha | | 著者 | Huang, L, Wang, W, Zhu, Z, Li, Q, Li, M, Zhou, H, Xu, Q, Wen, W, Wang, Q, Yu, F. | | 登録日 | 2024-07-10 | | 公開日 | 2025-03-26 | | 実験手法 | X-RAY DIFFRACTION (2.98 Å) | | 主引用文献 | Novel starting points for fragment-based drug design against human heat-shock protein 90 identified using crystallographic fragment screening.
Iucrj, 12, 2025
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6CU7
 | | Alpha Synuclein fibril formed by full length protein - Rod Polymorph | | 分子名称: | Alpha-synuclein | | 著者 | Li, B, Hatami, A, Ge, P, Murray, K.A, Sheth, P, Zhang, M, Nair, G, Sawaya, M.R, Zhu, C, Broad, M, Shin, W.S, Ye, S, John, V, Eisenberg, D.S, Zhou, Z.H, Jiang, L. | | 登録日 | 2018-03-23 | | 公開日 | 2018-09-12 | | 最終更新日 | 2024-03-13 | | 実験手法 | ELECTRON MICROSCOPY (3.5 Å) | | 主引用文献 | Cryo-EM of full-length alpha-synuclein reveals fibril polymorphs with a common structural kernel.
Nat Commun, 9, 2018
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6CEB
 | | Insulin Receptor ectodomain in complex with two insulin molecules - C1 symmetry | | 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 | Scapin, G, Dandey, V.P, Zhang, Z, Strickland, C, Potter, C.S, Carragher, B. | | 登録日 | 2018-02-11 | | 公開日 | 2018-03-14 | | 最終更新日 | 2024-10-23 | | 実験手法 | ELECTRON MICROSCOPY (4.7 Å) | | 主引用文献 | Structure of the insulin receptor-insulin complex by single-particle cryo-EM analysis.
Nature, 556, 2018
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4R63
 | | Binary complex crystal structure of R258A mutant of DNA polymerase Beta | | 分子名称: | DNA (5'-D(*CP*CP*GP*AP*CP*AP*GP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), DNA (5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*C)-3'), DNA (5'-D(P*GP*TP*CP*GP*G)-3'), ... | | 著者 | Batra, V.K, Beard, W.A, Wilson, S.H. | | 登録日 | 2014-08-22 | | 公開日 | 2014-10-08 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Substrate-induced DNA Polymerase beta Activation.
J.Biol.Chem., 289, 2014
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4R67
 | | Human constitutive 20S proteasome in complex with carfilzomib | | 分子名称: | N-{(2S)-2-[(morpholin-4-ylacetyl)amino]-4-phenylbutanoyl}-L-leucyl-N-[(2R,3S,4S)-1,3-dihydroxy-2,6-dimethylheptan-4-yl]-L-phenylalaninamide, Proteasome subunit alpha type-1, Proteasome subunit alpha type-2, ... | | 著者 | Sacchettini, J.C, Harshbarger, W.H. | | 登録日 | 2014-08-22 | | 公開日 | 2015-02-11 | | 最終更新日 | 2024-10-30 | | 実験手法 | X-RAY DIFFRACTION (2.89 Å) | | 主引用文献 | Crystal Structure of the Human 20S Proteasome in Complex with Carfilzomib.
Structure, 23, 2015
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6V2F
 | | Crystal structure of the HIV capsid hexamer bound to the small molecule long-acting inhibitor, GS-6207 | | 分子名称: | HIV-1 capsid, Lenacapavir | | 著者 | Appleby, T.C, Link, J.O, Yant, S.R, Villasenor, A.G, Somoza, J.R, Hu, E.Y, Schroeder, S.D, Cihlar, T. | | 登録日 | 2019-11-22 | | 公開日 | 2020-07-01 | | 最終更新日 | 2024-12-25 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Clinical targeting of HIV capsid protein with a long-acting small molecule.
Nature, 584, 2020
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6V2R
 | | Crystal Structure of chromodomain of CBX7 mutant V13A in complex with inhibitor UNC3866 | | 分子名称: | Chromobox protein homolog 7, UNC3866, UNKNOWN ATOM OR ION | | 著者 | Liu, Y, Tempel, W, Walker, J.R, Stuckey, J.I, Dickson, B.M, James, L.I, Frye, S.V, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | | 登録日 | 2019-11-25 | | 公開日 | 2019-12-25 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Structural Basis for the Binding Selectivity of Human CDY Chromodomains.
Cell Chem Biol, 27, 2020
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6V5E
 | | Crystal structure of CTX-M-14 P167S/D240G beta-lactamase | | 分子名称: | Beta-lactamase | | 著者 | Brown, C.A, Hu, L, Sankaran, B, Prasad, B.V.V, Palzkill, T.G. | | 登録日 | 2019-12-04 | | 公開日 | 2020-04-22 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Antagonism between substitutions in beta-lactamase explains a path not taken in the evolution of bacterial drug resistance.
J.Biol.Chem., 295, 2020
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6V3D
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