5R91
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5R9A
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5R9M
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5R9Q
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5RA1
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5RA5
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5WAK
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5R96
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5R9O
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5R99
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5RA0
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5R9P
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5RA6
| PanDDA analysis group deposition Form1 MAP kinase p38-alpha -- Fragment N11338a in complex with MAP kinase p38-alpha | 分子名称: | 1-[(1~{R},2~{R},4~{S})-2-bicyclo[2.2.1]heptanyl]-3-(2-pyridin-2-ylethyl)thiourea, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | 著者 | De Nicola, G.F, Nichols, C.E. | 登録日 | 2020-03-04 | 公開日 | 2020-07-22 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.86 Å) | 主引用文献 | Mining the PDB for Tractable Cases Where X-ray Crystallography Combined with Fragment Screens Can Be Used to Systematically Design Protein-Protein Inhibitors: Two Test Cases Illustrated by IL1 beta-IL1R and p38 alpha-TAB1 Complexes. J.Med.Chem., 63, 2020
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5R94
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5R9H
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5R9Y
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5R95
| PanDDA analysis group deposition Form1 MAP kinase p38-alpha -- Fragment KCL093 in complex with MAP kinase p38-alpha | 分子名称: | 1,2-ETHANEDIOL, 1-(4-aminophenyl)pyrrole-2,5-dione, CHLORIDE ION, ... | 著者 | De Nicola, G.F, Nichols, C.E. | 登録日 | 2020-03-04 | 公開日 | 2020-07-22 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.59 Å) | 主引用文献 | Mining the PDB for Tractable Cases Where X-ray Crystallography Combined with Fragment Screens Can Be Used to Systematically Design Protein-Protein Inhibitors: Two Test Cases Illustrated by IL1 beta-IL1R and p38 alpha-TAB1 Complexes. J.Med.Chem., 63, 2020
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5R9G
| PanDDA analysis group deposition Form1 MAP kinase p38-alpha -- Fragment PC587 in complex with MAP kinase p38-alpha | 分子名称: | (4R,4aS,7aS,9S)-3,10-dimethyl-5,6,7,7a,8,9-hexahydro-4H-4a,9-epiminopyrrolo[3',4':5,6]cyclohepta[1,2-d][1,2]oxazol-4-ol, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | 著者 | De Nicola, G.F, Nichols, C.E. | 登録日 | 2020-03-04 | 公開日 | 2020-07-22 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.73 Å) | 主引用文献 | Mining the PDB for Tractable Cases Where X-ray Crystallography Combined with Fragment Screens Can Be Used to Systematically Design Protein-Protein Inhibitors: Two Test Cases Illustrated by IL1 beta-IL1R and p38 alpha-TAB1 Complexes. J.Med.Chem., 63, 2020
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5R9X
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5R9V
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6KGN
| LSD1-CoREST-S2116 N5 adduct model | 分子名称: | 3-[3,5-bis(fluoranyl)-2-phenylmethoxy-phenyl]propanal, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ... | 著者 | Niwa, H, Sato, S, Umehara, T. | 登録日 | 2019-07-12 | 公開日 | 2020-03-25 | 最終更新日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (2.62 Å) | 主引用文献 | Development and Structural Evaluation of N-Alkylated trans-2-Phenylcyclopropylamine-Based LSD1 Inhibitors. Chemmedchem, 15, 2020
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6KE6
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6KGQ
| LSD1-FCPA-MPE five-membered ring adduct model | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, 3-[4-[5-fluoranyl-2-(trifluoromethyl)phenyl]phenyl]propanal, FLAVIN-ADENINE DINUCLEOTIDE, ... | 著者 | Niwa, H, Sato, S, Handa, N, Umehara, T. | 登録日 | 2019-07-12 | 公開日 | 2020-03-25 | 最終更新日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (2.32 Å) | 主引用文献 | Development and Structural Evaluation of N-Alkylated trans-2-Phenylcyclopropylamine-Based LSD1 Inhibitors. Chemmedchem, 15, 2020
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6KL7
| Beta-arrestin 1 mutant S13D/T275D | 分子名称: | 1,2-ETHANEDIOL, BARIUM ION, Beta-arrestin-1 | 著者 | Kang, H, Choi, H.J. | 登録日 | 2019-07-29 | 公開日 | 2020-01-29 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.794 Å) | 主引用文献 | Conformational Dynamics and Functional Implications of Phosphorylated beta-Arrestins. Structure, 28, 2020
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6KUR
| Structure of influenza D virus polymerase bound to vRNA promoter in Mode B conformation (Class B1) | 分子名称: | 3'-vRNA, 5'-vRNA, Polymerase 3, ... | 著者 | Peng, Q, Peng, R, Qi, J, Gao, G.F, Shi, Y. | 登録日 | 2019-09-02 | 公開日 | 2019-10-02 | 最終更新日 | 2024-03-27 | 実験手法 | ELECTRON MICROSCOPY (3.7 Å) | 主引用文献 | Structural insight into RNA synthesis by influenza D polymerase. Nat Microbiol, 4, 2019
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