1YUG
 
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5AKE
 | | ligand complex structure of soluble epoxide hydrolase | | 分子名称: | BIFUNCTIONAL EPOXIDE HYDROLASE 2, DIMETHYL SULFOXIDE, GLYCEROL, ... | | 著者 | Oster, L, Tapani, S, Xue, Y, Kack, H. | | 登録日 | 2015-03-03 | | 公開日 | 2015-05-13 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.26 Å) | | 主引用文献 | Successful Generation of Structural Information for Fragment-Based Drug Discovery.
Drug Discov Today, 20, 2015
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6V19
 | | immune receptor complex | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Fibrinogen beta 72,74cit69-81, GLYCEROL, ... | | 著者 | Lim, J.J, Rossjohn, J. | | 登録日 | 2019-11-20 | | 公開日 | 2020-11-25 | | 最終更新日 | 2024-10-30 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | The shared susceptibility epitope of HLA-DR4 binds citrullinated self-antigens and the TCR.
Sci Immunol, 6, 2021
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6CRB
 | | Ternary complex crystal structure of DNA polymerase Beta with a dideoxy terminated primer with CF2, beta, gamma dATP analogue | | 分子名称: | 9-{2-deoxy-5-O-[(S)-{[(S)-[difluoro(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-alpha-D-erythro-pentofuranosyl}-9H-purin-6-amine, DNA polymerase beta, Downstream Primer Strand, ... | | 著者 | Batra, V.K, Wilson, S.H. | | 登録日 | 2018-03-16 | | 公開日 | 2018-07-18 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.151 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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7H9O
 | | PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with Fr13146 | | 分子名称: | Heat shock protein HSP 90-alpha, {4-[(oxan-4-yl)oxy]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 (1.55 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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6V03
 | | ELIC-propylammonium complex in POPC-only nanodiscs | | 分子名称: | 3-AMINOPROPANE, Gamma-aminobutyric-acid receptor subunit beta-1 | | 著者 | Grosman, C, Kumar, P. | | 登録日 | 2019-11-18 | | 公開日 | 2020-01-15 | | 最終更新日 | 2024-03-06 | | 実験手法 | ELECTRON MICROSCOPY (3.3 Å) | | 主引用文献 | Cryo-EM structures of a lipid-sensitive pentameric ligand-gated ion channel embedded in a phosphatidylcholine-only bilayer.
Proc.Natl.Acad.Sci.USA, 117, 2020
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4P35
 | | Crystal structure of DJ-1 with Zinc(II) bound (crystal I) | | 分子名称: | CHLORIDE ION, GLYCEROL, Protein DJ-1, ... | | 著者 | Tashiro, S, Wu, C.-X, Hoang, Q.Q, Caaveiro, J.M.M, Tsumoto, K. | | 登録日 | 2014-03-05 | | 公開日 | 2014-04-09 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | Thermodynamic and Structural Characterization of the Specific Binding of Zn(II) to Human Protein DJ-1.
Biochemistry, 53, 2014
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4YZF
 | | Crystal structure of the anion exchanger domain of human erythrocyte Band 3 | | 分子名称: | 2,2'-ethane-1,2-diylbis{5-[(sulfanylmethyl)amino]benzenesulfonic acid}, Band 3 anion transport protein, FAB fragment of Immunoglobulin (IgG) molecule | | 著者 | Alguel, Y, Arakawa, T, Yugiri, T.K, Iwanari, H, Hatae, H, Iwata, M, Abe, Y, Hino, T, Suno, C.I, Kuma, H, Kang, D, Murata, T, Hamakubo, T, Cameron, A.D, Kobayashi, T, Hamasaki, N, Iwata, S. | | 登録日 | 2015-03-25 | | 公開日 | 2015-11-04 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (3.5 Å) | | 主引用文献 | Crystal structure of the anion exchanger domain of human erythrocyte band 3.
Science, 350, 2015
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4PFQ
 | | Crystal structure of hypoxanthine phosphoribosyltransferase from Brachybacterium faecium DSM 4810, NYSGRC Target 029763. | | 分子名称: | Hypoxanthine phosphoribosyltransferase, MAGNESIUM ION | | 著者 | Malashkevich, V.N, Bhosle, R, Toro, R, Hillerich, B, Gizzi, A, Garforth, S, Kar, A, Chan, M.K, Lafluer, J, Patel, H, Matikainen, B, Chamala, S, Lim, S, Celikgil, A, Villegas, G, Evans, B, Love, J, Fiser, A, Seidel, R, Bonanno, J.B, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC) | | 登録日 | 2014-04-30 | | 公開日 | 2014-07-02 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Crystal structure of hypoxanthine phosphoribosyltransferase from Brachybacterium faecium DSM 4810, NYSGRC Target 0299763.
to be published
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6CDN
 | | Crystal structure of cysteine-bound ferrous form of the crosslinked Cl-Tyr157 human cysteine dioxygenase | | 分子名称: | CYSTEINE, Cysteine dioxygenase type 1, FE (II) ION, ... | | 著者 | Liu, A, Li, J, Shin, I. | | 登録日 | 2018-02-08 | | 公開日 | 2018-07-04 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.055 Å) | | 主引用文献 | Cleavage of a carbon-fluorine bond by an engineered cysteine dioxygenase.
Nat. Chem. Biol., 14, 2018
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4Z1K
 | | Carbonic anhydrase inhibitors: Design and synthesis of new heteroaryl-N-carbonylbenzenesulfonamides targeting druggable human carbonic anhydrase isoforms (hCA VII, hCA IX, and hCA XIV) | | 分子名称: | 4-[(6,7-dihydroxy-3,4-dihydroisoquinolin-2(1H)-yl)carbonyl]benzenesulfonamide, Carbonic anhydrase 2, ZINC ION | | 著者 | Brynda, J, Pospisilova, K, Rezacova, P, Pachl, P. | | 登録日 | 2015-03-27 | | 公開日 | 2015-08-26 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | | 主引用文献 | Carbonic anhydrase inhibitors: Design, synthesis and structural characterization of new heteroaryl-N-carbonylbenzenesulfonamides targeting druggable human carbonic anhydrase isoforms.
Eur.J.Med.Chem., 102, 2015
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7HB6
 | | PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with Fr13755 | | 分子名称: | 5-fluoranyl-1~{H}-indole-2,3-dione, 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 (2.09 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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4PGS
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7HBK
 | | PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with Fr13232 | | 分子名称: | 6-(2,3-dimethylphenoxy)pyridin-3-amine, 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 (2.14 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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7HC1
 | | PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with 10T-0263 | | 分子名称: | (3M)-3-(3-fluoro-4-methoxyphenyl)-4-methyl-1H-pyrazole, 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 (2.13 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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7H9V
 | | PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with Fr12319 | | 分子名称: | 8-carbamoyl-1-benzopyran-1-ium, 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 (1.52 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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4PGY
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7H9W
 | | PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with Fr12314 | | 分子名称: | 3,4-dihydro-2~{H}-chromene-6-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 (1.64 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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8T1L
 | | Atomic model of the mammalian mouse Mediator complex with CKM module | | 分子名称: | Mediator of RNA polymerase II transcription subunit 1, Mediator of RNA polymerase II transcription subunit 10, Mediator of RNA polymerase II transcription subunit 11, ... | | 著者 | Zhao, H, Asturias, F. | | 登録日 | 2023-06-02 | | 公開日 | 2024-07-03 | | 最終更新日 | 2025-01-15 | | 実験手法 | ELECTRON MICROSCOPY (4.83 Å) | | 主引用文献 | An IDR-dependent mechanism for nuclear receptor control of Mediator interaction with RNA polymerase II.
Mol.Cell, 84, 2024
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7HA0
 | | PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with Fr12546 | | 分子名称: | 3-(pyridin-2-yloxy)aniline, 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 (1.47 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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7H9R
 | | PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with Fr14452 | | 分子名称: | Heat shock protein HSP 90-alpha, N-(3-ethynylphenyl)acetamide | | 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 (1.69 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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7HA7
 | | PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with PS-5947 | | 分子名称: | 4-bromo-3-[(dimethylamino)methyl]phenol, 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 (2.27 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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6CUZ
 | | Engineered TrpB from Pyrococcus furiosus, PfTrpB7E6 with (2S,3R)-ethylserine bound as the amino-acrylate | | 分子名称: | (2E)-2-[(E)-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)amino]pent-2-enoic acid, PHOSPHATE ION, SODIUM ION, ... | | 著者 | Scheele, R.A, Buller, A.R, Boville, C.E, Arnold, F.H. | | 登録日 | 2018-03-27 | | 公開日 | 2018-09-26 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | Engineered Biosynthesis of beta-Alkyl Tryptophan Analogues.
Angew. Chem. Int. Ed. Engl., 57, 2018
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7HAN
 | | PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with PS-3286 | | 分子名称: | (2P)-2-(1H-pyrazol-4-yl)pyrazine, 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 (1.61 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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6V3A
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