7X7E
 
 | | SARS-CoV-2 RBD and Nb22 | | 分子名称: | Nb22, Spike protein S1, TETRAETHYLENE GLYCOL | | 著者 | Wang, Y, Ye, S. | | 登録日 | 2022-03-09 | | 公開日 | 2022-04-20 | | 最終更新日 | 2024-10-30 | | 実験手法 | X-RAY DIFFRACTION (2.67 Å) | | 主引用文献 | Short-Term Instantaneous Prophylaxis and Efficient Treatment Against SARS-CoV-2 in hACE2 Mice Conferred by an Intranasal Nanobody (Nb22).
Front Immunol, 13, 2022
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6BOZ
 | | Structure of human SETD8 in complex with covalent inhibitor MS4138 | | 分子名称: | 1,2-ETHANEDIOL, N-(3-{[7-(2-aminoethoxy)-6-methoxy-2-(pyrrolidin-1-yl)quinazolin-4-yl]amino}propyl)prop-2-enamide, N-lysine methyltransferase KMT5A | | 著者 | Babault, N, Anqi, M, Jin, J. | | 登録日 | 2017-11-21 | | 公開日 | 2019-05-01 | | 最終更新日 | 2019-12-04 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | The dynamic conformational landscape of the protein methyltransferase SETD8.
Elife, 8, 2019
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6NO9
 | | PIM1 in complex with Cpd16 (5-amino-N-(5-((4R,5R)-4-amino-5-fluoroazepan-1-yl)-1-methyl-1H-pyrazol-4-yl)-2-(2,6-difluorophenyl)thiazole-4-carboxamide) | | 分子名称: | 5-amino-N-{5-[(4R,5R)-4-amino-5-fluoroazepan-1-yl]-1-methyl-1H-pyrazol-4-yl}-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide, GLYCEROL, PHOSPHATE ION, ... | | 著者 | Murray, J.M, Noland, C. | | 登録日 | 2019-01-15 | | 公開日 | 2019-02-27 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.712 Å) | | 主引用文献 | Optimization of Pan-Pim Kinase Activity and Oral Bioavailability Leading to Diaminopyrazole (GDC-0339) for the Treatment of Multiple Myeloma.
J. Med. Chem., 62, 2019
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5VGO
 | | Bruton's tyrosine kinase (BTK) with compound G-744 | | 分子名称: | 2-(2-METHOXYETHOXY)ETHANOL, 2-[2-(hydroxymethyl)-3-{1-methyl-6-oxo-5-[(pyrimidin-4-yl)amino]-1,6-dihydropyridin-3-yl}phenyl]-6,6-dimethyl-3,4,6,7-tetrahydro-2H-cyclopenta[4,5]thieno[2,3-c]pyridin-1(5H)-one, GLYCEROL, ... | | 著者 | Yu, C, Eigenbrot, C. | | 登録日 | 2017-04-11 | | 公開日 | 2017-07-05 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.621 Å) | | 主引用文献 | Discovery of Potent and Selective Tricyclic Inhibitors of Bruton's Tyrosine Kinase with Improved Druglike Properties.
ACS Med Chem Lett, 8, 2017
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5V2N
 | | Crystal Structure of APO Human SETD8 | | 分子名称: | 1,2-ETHANEDIOL, N-lysine methyltransferase KMT5A | | 著者 | Skene, R.J. | | 登録日 | 2017-03-05 | | 公開日 | 2018-03-07 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | The dynamic conformational landscape of the protein methyltransferase SETD8.
Elife, 8, 2019
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7XRC
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6BPP
 | | E. coli MsbA in complex with LPS and inhibitor G092 | | 分子名称: | (2E)-3-{6-[(1S)-1-(3-amino-2,6-dichlorophenyl)ethoxy]-4-cyclopropylquinolin-3-yl}prop-2-enoic acid, 1,2-Distearoyl-sn-glycerophosphoethanolamine, 3-HYDROXY-TETRADECANOIC ACID, ... | | 著者 | Ho, H, Koth, C.M, Payandeh, J. | | 登録日 | 2017-11-24 | | 公開日 | 2018-05-02 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (2.92 Å) | | 主引用文献 | Structural basis for dual-mode inhibition of the ABC transporter MsbA.
Nature, 557, 2018
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7VFX
 | | The structure of Formyl Peptide Receptor 1 in complex with Gi and peptide agonist fMIFL | | 分子名称: | CHOLESTEROL, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | | 著者 | Wang, X.K, Chen, G, Liao, Q.W, Du, Y, Hu, H.L, Ye, D.Q. | | 登録日 | 2021-09-14 | | 公開日 | 2022-09-21 | | 最終更新日 | 2022-12-07 | | 実験手法 | ELECTRON MICROSCOPY (2.8 Å) | | 主引用文献 | Structural basis for recognition of N-formyl peptides as pathogen-associated molecular patterns.
Nat Commun, 13, 2022
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4NSO
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3DPK
 | | cFMS tyrosine kinase in complex with a pyridopyrimidinone inhibitor | | 分子名称: | 8-cyclohexyl-N-methoxy-5-oxo-2-{[4-(2-pyrrolidin-1-ylethyl)phenyl]amino}-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxamide, Macrophage colony-stimulating factor 1 receptor, Fibroblast growth factor receptor 1, ... | | 著者 | Schubert, C. | | 登録日 | 2008-07-08 | | 公開日 | 2009-02-17 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Pyrido[2,3-d]pyrimidin-5-ones: a novel class of antiinflammatory macrophage colony-stimulating factor-1 receptor inhibitors
J.Med.Chem., 52, 2009
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4K18
 | | Structure of PIM-1 kinase bound to 5-(4-cyanobenzyl)-N-(4-fluorophenyl)-7-hydroxypyrazolo[1,5-a]pyrimidine-3-carboxamide | | 分子名称: | 5-(4-cyanobenzyl)-N-(4-fluorophenyl)-7-hydroxypyrazolo[1,5-a]pyrimidine-3-carboxamide, PHOSPHATE ION, Serine/threonine-protein kinase pim-1 | | 著者 | Murray, J.M, Wallweber, H, Steffek, M. | | 登録日 | 2013-04-04 | | 公開日 | 2013-05-15 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.051 Å) | | 主引用文献 | Discovery of novel pyrazolo[1,5-a]pyrimidines as potent pan-Pim inhibitors by structure- and property-based drug design.
Bioorg.Med.Chem.Lett., 23, 2013
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4K0Y
 | | Structure of PIM-1 kinase bound to N-(4-fluorophenyl)-7-hydroxy-5-(piperidin-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide | | 分子名称: | N-(4-fluorophenyl)-7-hydroxy-5-(piperidin-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide, PHOSPHATE ION, Serine/threonine-protein kinase pim-1 | | 著者 | Murray, J.M, Wallweber, H, Steffek, M. | | 登録日 | 2013-04-04 | | 公開日 | 2013-05-15 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.954 Å) | | 主引用文献 | Discovery of novel pyrazolo[1,5-a]pyrimidines as potent pan-Pim inhibitors by structure- and property-based drug design.
Bioorg.Med.Chem.Lett., 23, 2013
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7VXX
 | | Zika virus NS2B/NS3 protease bZipro(C143S) in complex with 4-amino benzamidine | | 分子名称: | P-AMINO BENZAMIDINE, Serine protease NS3, Serine protease subunit NS2B | | 著者 | Xiong, Y.C, Cheng, F, Zhang, J.Y, Su, H.X, Hu, H.C, Zou, Y, Li, M.J, Xu, Y.C. | | 登録日 | 2021-11-13 | | 公開日 | 2022-09-14 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Structure-based design of a novel inhibitor of the ZIKA virus NS2B/NS3 protease.
Bioorg.Chem., 128, 2022
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7VXY
 | | Zika virus NS2B/NS3 protease bZipro(C143S) in complex with D-RKOR | | 分子名称: | Peptide inhibitor, Serine protease NS3, Serine protease subunit NS2B | | 著者 | Xiong, Y.C, Cheng, F, Zhang, J.Y, Su, H.X, Hu, H.C, Zou, Y, Li, M.J, Xu, Y.C. | | 登録日 | 2021-11-13 | | 公開日 | 2022-09-14 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.901 Å) | | 主引用文献 | Structure-based design of a novel inhibitor of the ZIKA virus NS2B/NS3 protease.
Bioorg.Chem., 128, 2022
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6BPL
 | | E. coli MsbA in complex with LPS and inhibitor G907 | | 分子名称: | (2E)-3-{6-[(1S)-1-(2-chloro-6-cyclopropylphenyl)ethoxy]-4-cyclopropylquinolin-3-yl}prop-2-enoic acid, 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE, 2-amino-2-deoxy-alpha-D-glucopyranose, ... | | 著者 | Ho, H, Koth, C.M, Payandeh, J. | | 登録日 | 2017-11-23 | | 公開日 | 2018-05-02 | | 最終更新日 | 2020-07-29 | | 実験手法 | X-RAY DIFFRACTION (2.908 Å) | | 主引用文献 | Structural basis for dual-mode inhibition of the ABC transporter MsbA.
Nature, 557, 2018
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4K1B
 | | Structure of PIM-1 kinase bound to N-(5-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-((((3R,4R)-3-fluoropiperidin-4-yl)methyl)amino)pyrazolo[1,5-a]pyrimidine-3-carboxamide | | 分子名称: | N-[5-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-5-({[(3R,4R)-3-fluoropiperidin-4-yl]methyl}amino)pyrazolo[1,5-a]pyrimidine-3-carboxamide, PHOSPHATE ION, Serine/threonine-protein kinase pim-1 | | 著者 | Murray, J.M, Wallweber, H, Steffek, M. | | 登録日 | 2013-04-04 | | 公開日 | 2013-05-15 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.082 Å) | | 主引用文献 | Discovery of novel pyrazolo[1,5-a]pyrimidines as potent pan-Pim inhibitors by structure- and property-based drug design.
Bioorg.Med.Chem.Lett., 23, 2013
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4NSR
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5MVN
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5MUO
 | | X-ray structure of the 2-22' locally-closed mutant of GLIC in complex with propofol | | 分子名称: | 2,6-BIS(1-METHYLETHYL)PHENOL, ACETATE ION, CHLORIDE ION, ... | | 著者 | Fourati, Z, Ruza, R.R, Delarue, M. | | 登録日 | 2017-01-13 | | 公開日 | 2018-02-14 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (3.19 Å) | | 主引用文献 | Structural Basis for a Bimodal Allosteric Mechanism of General Anesthetic Modulation in Pentameric Ligand-Gated Ion Channels.
Cell Rep, 23, 2018
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5MZQ
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6OS9
 | | human Neurotensin Receptor 1 (hNTSR1) - Gi1 Protein Complex in canonical conformation (C state) | | 分子名称: | Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(i) subunit alpha-1, ... | | 著者 | Kato, H.E, Zhang, Y, Kobilka, B.K, Skiniotis, G. | | 登録日 | 2019-05-01 | | 公開日 | 2019-07-10 | | 最終更新日 | 2019-12-18 | | 実験手法 | ELECTRON MICROSCOPY (3 Å) | | 主引用文献 | Conformational transitions of a neurotensin receptor 1-Gi1complex.
Nature, 572, 2019
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5MUR
 | | X-ray structure of the F14'A mutant of GLIC in complex with propofol | | 分子名称: | 2,6-BIS(1-METHYLETHYL)PHENOL, ACETATE ION, CHLORIDE ION, ... | | 著者 | Sauguet, L, Fourati, Z, Delarue, M. | | 登録日 | 2017-01-13 | | 公開日 | 2018-02-14 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | | 主引用文献 | Structural Basis for a Bimodal Allosteric Mechanism of General Anesthetic Modulation in Pentameric Ligand-Gated Ion Channels.
Cell Rep, 23, 2018
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3BEA
 | | cFMS tyrosine kinase (tie2 KID) in complex with a pyrimidinopyridone inhibitor | | 分子名称: | 8-(2,3-dihydro-1H-inden-5-yl)-2-({4-[(3R,5S)-3,5-dimethylpiperazin-1-yl]phenyl}amino)-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxamide, Macrophage colony-stimulating factor 1 receptor, SULFATE ION | | 著者 | Schubert, C. | | 登録日 | 2007-11-16 | | 公開日 | 2008-07-15 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (2.02 Å) | | 主引用文献 | Design and synthesis of a pyrido[2,3-d]pyrimidin-5-one class of anti-inflammatory FMS inhibitors.
Bioorg.Med.Chem.Lett., 18, 2008
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7Y8F
 | | Estrogen Receptor Alpha Ligand Binding Domain Y537S Mutant in Complex with an Inhibitor 30o and GRIP Peptide | | 分子名称: | DI(HYDROXYETHYL)ETHER, Estrogen receptor, Grip peptide, ... | | 著者 | Min, J, Hu, H.B, Yang, Y, Dong, C.E, Zhou, H.B, Chen, C.-C, Guo, R.-T. | | 登録日 | 2022-06-23 | | 公開日 | 2023-04-26 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.22 Å) | | 主引用文献 | Structure-guided identification of novel dual-targeting estrogen receptor alpha degraders with aromatase inhibitory activity for the treatment of endocrine-resistant breast cancer.
Eur.J.Med.Chem., 253, 2023
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7Y8G
 | | Estrogen Receptor Alpha Ligand Binding Domain Y537S Mutant in Complex with an Inhibitor 30a and GRIP Peptide | | 分子名称: | DI(HYDROXYETHYL)ETHER, Estrogen receptor, Grip peptide, ... | | 著者 | Min, J, Hu, H.B, Yang, Y, Dong, C.E, Zhou, H.B, Chen, C.-C, Guo, R.-T. | | 登録日 | 2022-06-23 | | 公開日 | 2023-04-26 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.14 Å) | | 主引用文献 | Structure-guided identification of novel dual-targeting estrogen receptor alpha degraders with aromatase inhibitory activity for the treatment of endocrine-resistant breast cancer.
Eur.J.Med.Chem., 253, 2023
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