5ED6
 
 | | crystal structure of human Hint1 H114A mutant complexing with ATP | | 分子名称: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ADENOSINE MONOPHOSPHATE, Histidine triad nucleotide-binding protein 1 | | 著者 | Wang, J, Fang, P, Guo, M. | | 登録日 | 2015-10-20 | | 公開日 | 2017-01-25 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.52 Å) | | 主引用文献 | Second messenger Ap4A polymerizes target protein HINT1 to transduce signals in Fc epsilon RI-activated mast cells.
Nat Commun, 10, 2019
|
|
6C14
 | |
6K7P
 | | Crystal structure of human AFF4-THD domain | | 分子名称: | AF4/FMR2 family member 4 | | 著者 | Tang, D, Xue, Y, Li, S, Cheng, W, Duan, J, Wang, J, Qi, S. | | 登録日 | 2019-06-08 | | 公開日 | 2020-03-11 | | 最終更新日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Structural and functional insight into the effect of AFF4 dimerization on activation of HIV-1 proviral transcription.
Cell Discov, 6, 2020
|
|
7LDG
 | |
5GH9
 | |
8ECG
 | | Complex of HMG1 with pitavastatin | | 分子名称: | 3-hydroxy-3-methylglutaryl-coenzyme A reductase 1, GLYCEROL, Pitavastatin | | 著者 | Haywood, J, Bond, C.S. | | 登録日 | 2022-09-01 | | 公開日 | 2022-09-14 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.13 Å) | | 主引用文献 | A fungal tolerance trait and selective inhibitors proffer HMG-CoA reductase as a herbicide mode-of-action.
Nat Commun, 13, 2022
|
|
3H2L
 | | Crystal structure of HCV NS5B polymerase in complex with a novel bicyclic dihydro-pyridinone inhibitor | | 分子名称: | N-{3-[(4aR,7aS)-1-(4-fluorobenzyl)-4-hydroxy-2-oxo-2,4a,5,6,7,7a-hexahydro-1H-cyclopenta[b]pyridin-3-yl]-1,1-dioxido-2H-1,2,4-benzothiadiazin-7-yl}methanesulfonamide, NS5B polymerase | | 著者 | Han, Q, Showalter, R.E, Zhou, Q, Kissinger, C.R. | | 登録日 | 2009-04-14 | | 公開日 | 2009-12-08 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Discovery of tricyclic 5,6-dihydro-1H-pyridin-2-ones as novel, potent, and orally bioavailable inhibitors of HCV NS5B polymerase.
Bioorg.Med.Chem.Lett., 19, 2009
|
|
7X08
 | | S protein of SARS-CoV-2 in complex with 2G1 | | 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, LINOLEIC ACID, ... | | 著者 | Guo, Y.Y, Zhang, Y.Y, Zhou, Q. | | 登録日 | 2022-02-21 | | 公開日 | 2022-03-09 | | 最終更新日 | 2023-11-15 | | 実験手法 | ELECTRON MICROSCOPY (2.7 Å) | | 主引用文献 | Broad ultra-potent neutralization of SARS-CoV-2 variants by monoclonal antibodies specific to the tip of RBD.
Cell Discov, 8, 2022
|
|
7K88
 | | Crystal structure of bovine RPE65 in complex with hexaethylene glycol monooctyl ether | | 分子名称: | 3,6,9,12,15,18-hexaoxahexacosan-1-ol, FE (II) ION, Retinoid isomerohydrolase, ... | | 著者 | Kiser, P.D. | | 登録日 | 2020-09-26 | | 公開日 | 2021-06-02 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Rational Alteration of Pharmacokinetics of Chiral Fluorinated and Deuterated Derivatives of Emixustat for Retinal Therapy.
J.Med.Chem., 64, 2021
|
|
7K89
 | |
7K8G
 | |
1R9H
 | |
7K99
 | | Crystal Structure of P. aeruginosa LpxC with N-Hydroxyformamide inhibitor 19 | | 分子名称: | (hydroxy{(1S)-1-(methylsulfanyl)-2-[5-({4-[(morpholin-4-yl)methyl]phenyl}ethynyl)-1H-benzotriazol-1-yl]ethyl}amino)methanol, GLYCEROL, SULFATE ION, ... | | 著者 | Sacco, M, Chen, Y. | | 登録日 | 2020-09-28 | | 公開日 | 2020-11-25 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | N-Hydroxyformamide LpxC inhibitors, their in vivo efficacy in a mouse Escherichia coli infection model, and their safety in a rat hemodynamic assay.
Bioorg.Med.Chem., 28, 2020
|
|
7MWH
 | | Crystal structure of BAZ2A with DNA | | 分子名称: | Bromodomain adjacent to zinc finger domain protein 2A, DNA (5'-D(*CP*GP*GP*AP*AP*TP*GP*TP*AP*GP*GP*C)-3'), DNA (5'-D(*GP*CP*CP*TP*AP*(5CM)P*AP*TP*TP*CP*CP*G)-3'), ... | | 著者 | Liu, K, Dong, A, Li, Y, Loppnau, P, Edwards, A.M, Arrowsmith, C.H, Min, J, Structural Genomics Consortium (SGC) | | 登録日 | 2021-05-17 | | 公開日 | 2022-08-31 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.28 Å) | | 主引用文献 | Crystal structure of the BAZ2B TAM domain.
Heliyon, 8, 2022
|
|
4AGW
 | | Discovery of a small molecule type II inhibitor of wild-type and gatekeeper mutants of BCR-ABL, PDGFRalpha, Kit, and Src kinases | | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3-{2-[(cyclopropylcarbonyl)amino][1,3]thiazolo[5,4-b]pyridin-5-yl}-N-{4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromet hyl)phenyl}benzamide, GLYCEROL, ... | | 著者 | Weisberg, E, Choi, H.G, Seeliger, M, Gray, N, Griffin, J.D. | | 登録日 | 2012-02-01 | | 公開日 | 2012-02-15 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Discovery of a Small-Molecule Type II Inhibitor of Wild-Type and Gatekeeper Mutants of Bcr-Abl, Pdgfralpha, Kit, and Src Kinases: Novel Type II Inhibitor of Gatekeeper Mutants.
Blood, 115, 2010
|
|
7MK7
 | | Augmentor domain of augmentor-beta | | 分子名称: | ALK and LTK ligand 1,Maltodextrin-binding protein, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose | | 著者 | Krimmer, S.G, Reshetnyak, A.V, Puleo, D.E, Schlessinger, J. | | 登録日 | 2021-04-21 | | 公開日 | 2021-11-24 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.42815185 Å) | | 主引用文献 | Structural basis for ligand reception by anaplastic lymphoma kinase.
Nature, 600, 2021
|
|
7K9A
 | | Crystal Structure of P. aeruginosa LpxC with N-Hydroxyformamide inhibitor | | 分子名称: | DIMETHYL SULFOXIDE, GLYCEROL, N-hydroxy-N-[(1R)-2-{5-[(4-{[2-(hydroxymethyl)-1H-imidazol-1-yl]methyl}phenyl)ethynyl]-1H-benzotriazol-1-yl}-1-(methylsulfanyl)ethyl]formamide, ... | | 著者 | Sacco, M, Chen, Y. | | 登録日 | 2020-09-29 | | 公開日 | 2020-11-25 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | N-Hydroxyformamide LpxC inhibitors, their in vivo efficacy in a mouse Escherichia coli infection model, and their safety in a rat hemodynamic assay.
Bioorg.Med.Chem., 28, 2020
|
|
2EW6
 | | Structure of Helicobacter Pylori peptide deformylase in complex with inhibitor | | 分子名称: | (2E)-3-(3,4-DIHYDROXYPHENYL)-N-[2-(4-HYDROXYPHENYL)ETHYL]ACRYLAMIDE, COBALT (II) ION, peptide deformylase | | 著者 | Cai, J. | | 登録日 | 2005-11-02 | | 公開日 | 2006-10-24 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Peptide deformylase is a potential target for anti-Helicobacter pylori drugs: reverse docking, enzymatic assay, and X-ray crystallography validation
Protein Sci., 15, 2006
|
|
6N33
 | | Crystal structure of fms kinase domain with a small molecular inhibitor, PLX5622 | | 分子名称: | 6-fluoro-N-[(5-fluoro-2-methoxypyridin-3-yl)methyl]-5-[(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyridin-2-amine, Macrophage colony-stimulating factor 1 receptor | | 著者 | Zhang, Y. | | 登録日 | 2018-11-14 | | 公開日 | 2019-09-18 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | | 主引用文献 | Sustained microglial depletion with CSF1R inhibitor impairs parenchymal plaque development in an Alzheimer's disease model.
Nat Commun, 10, 2019
|
|
6JBT
 | | Complex structure of toripalimab-Fab and PD-1 | | 分子名称: | 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, Heavy chain, ... | | 著者 | Guo, L, Tan, S, Chai, Y, Qi, J, Gao, G.F, Yan, J. | | 登録日 | 2019-01-26 | | 公開日 | 2019-06-19 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.47 Å) | | 主引用文献 | Glycosylation-independent binding of monoclonal antibody toripalimab to FG loop of PD-1 for tumor immune checkpoint therapy.
Mabs, 11, 2019
|
|
2EW7
 | | Crystal Structure of Helicobacter Pylori peptide deformylase | | 分子名称: | COBALT (II) ION, peptide deformylase | | 著者 | Cai, J. | | 登録日 | 2005-11-02 | | 公開日 | 2006-10-24 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Peptide deformylase is a potential target for anti-Helicobacter pylori drugs: reverse docking, enzymatic assay, and X-ray crystallography validation
Protein Sci., 15, 2006
|
|
7L0E
 | |
2EW5
 | | Structure of Helicobacter Pylori peptide deformylase in complex with inhibitor | | 分子名称: | 4-{(1E)-3-OXO-3-[(2-PHENYLETHYL)AMINO]PROP-1-EN-1-YL}-1,2-PHENYLENE DIACETATE, COBALT (II) ION, peptide deformylase | | 著者 | Cai, J. | | 登録日 | 2005-11-02 | | 公開日 | 2006-10-24 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Peptide deformylase is a potential target for anti-Helicobacter pylori drugs: reverse docking, enzymatic assay, and X-ray crystallography validation
Protein Sci., 15, 2006
|
|
6JKK
 | | Crystal structure of BubR1 kinase domain | | 分子名称: | DI(HYDROXYETHYL)ETHER, GLYCEROL, Mitotic checkpoint control protein kinase BUB1 | | 著者 | Lin, L, Ye, S, Huang, Y, Liu, X, Zhang, R, Yao, X. | | 登録日 | 2019-03-01 | | 公開日 | 2019-06-26 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | BubR1 phosphorylates CENP-E as a switch enabling the transition from lateral association to end-on capture of spindle microtubules.
Cell Res., 29, 2019
|
|
5WMD
 | | N-terminal bromodomain of BRD4 in complex with OTX-015 | | 分子名称: | 2-[(6S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl]-N-(4-hydroxyphenyl)acetamide, Bromodomain-containing protein 4 | | 著者 | Zhang, Y. | | 登録日 | 2017-07-28 | | 公開日 | 2018-08-01 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.27 Å) | | 主引用文献 | BRD4 Profiling Identifies Critical Chronic Lymphocytic Leukemia Oncogenic Circuits and Reveals Sensitivity to PLX51107, a Novel Structurally Distinct BET Inhibitor.
Cancer Discov, 8, 2018
|
|
