7Y0E
 
 | | Crystal structure of TMPRSS2 in complex with Camostat | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-carbamimidamidobenzoic acid, CALCIUM ION, ... | | 著者 | Wang, H, Duan, Y, Liu, X, Sun, L, Yang, H. | | 登録日 | 2022-06-04 | | 公開日 | 2023-12-06 | | 最終更新日 | 2024-06-19 | | 実験手法 | X-RAY DIFFRACTION (2.39 Å) | | 主引用文献 | Structure-based discovery of dual pathway inhibitors for SARS-CoV-2 entry.
Nat Commun, 14, 2023
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5WFJ
 | | THE JAK3 KINASE DOMAIN IN COMPLEX WITH A COVALENT INHIBITOR | | 分子名称: | 4-({[3-(propanoylamino)phenyl]methyl}amino)pyrrolo[1,2-b]pyridazine-3-carboxamide, Tyrosine-protein kinase JAK3 | | 著者 | Sack, J. | | 登録日 | 2017-07-12 | | 公開日 | 2017-10-04 | | 最終更新日 | 2017-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.48 Å) | | 主引用文献 | Discovery of highly potent, selective, covalent inhibitors of JAK3.
Bioorg. Med. Chem. Lett., 27, 2017
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3FCO
 | | Crystal Structure of 11beta-Hydroxysteroid Dehydrogenase 1 (11b-HSD1) in Complex with Benzamide Inhibitor | | 分子名称: | Corticosteroid 11-beta-dehydrogenase isozyme 1, N-cyclopropyl-N-(cis-4-cyclopropyl-4-hydroxycyclohexyl)-4-[(1S)-2,2,2-trifluoro-1-hydroxy-1-methylethyl]benzamide, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | 著者 | Wang, Z, Sudom, A, Walker, N.P. | | 登録日 | 2008-11-21 | | 公開日 | 2009-12-01 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | | 主引用文献 | Optimization of novel di-substituted cyclohexylbenzamide derivatives as potent 11 beta-HSD1 inhibitors.
Bioorg.Med.Chem.Lett., 19, 2009
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8HEI
 | | Crystal structure of CTSB in complex with E64d | | 分子名称: | Cathepsin B, GLYCEROL, ethyl (3S)-3-hydroxy-4-({(2S)-4-methyl-1-[(3-methylbutyl)amino]-1-oxopentan-2-yl}amino)-4-oxobutanoate | | 著者 | Wang, H, Li, D, Sun, L, Yang, H. | | 登録日 | 2022-11-08 | | 公開日 | 2023-12-13 | | 最終更新日 | 2024-06-19 | | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | | 主引用文献 | Structure-based discovery of dual pathway inhibitors for SARS-CoV-2 entry.
Nat Commun, 14, 2023
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8HET
 | | Crystal structure of CTSL in complex with E64d | | 分子名称: | Procathepsin L, ethyl (3S)-3-hydroxy-4-({(2S)-4-methyl-1-[(3-methylbutyl)amino]-1-oxopentan-2-yl}amino)-4-oxobutanoate | | 著者 | Wang, H, Shao, M, Sun, L, Yang, H. | | 登録日 | 2022-11-08 | | 公開日 | 2023-12-13 | | 最終更新日 | 2024-06-19 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Structure-based discovery of dual pathway inhibitors for SARS-CoV-2 entry.
Nat Commun, 14, 2023
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8HD8
 | | Crystal structure of TMPRSS2 in complex with 212-148 | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-carbamimidamidobenzoic acid, CALCIUM ION, ... | | 著者 | Wang, H, Liu, X, Sun, L, Yang, H. | | 登録日 | 2022-11-03 | | 公開日 | 2023-12-13 | | 最終更新日 | 2024-06-19 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Structure-based discovery of dual pathway inhibitors for SARS-CoV-2 entry.
Nat Commun, 14, 2023
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8HE9
 | | Crystal structure of CTSB in complex with K777 | | 分子名称: | Cathepsin B, DIMETHYL SULFOXIDE, GLYCEROL, ... | | 著者 | Wang, H, Li, D, Sun, L, Yang, H. | | 登録日 | 2022-11-07 | | 公開日 | 2023-12-13 | | 最終更新日 | 2024-06-19 | | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | | 主引用文献 | Structure-based discovery of dual pathway inhibitors for SARS-CoV-2 entry.
Nat Commun, 14, 2023
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8HFV
 | | Crystal structure of CTSL in complex with K777 | | 分子名称: | CACODYLATE ION, Nalpha-[(4-methylpiperazin-1-yl)carbonyl]-N-[(3S)-1-phenyl-5-(phenylsulfonyl)pentan-3-yl]-L-phenylalaninamide, Procathepsin L, ... | | 著者 | Wang, H, Shao, M, Sun, L, Yang, H. | | 登録日 | 2022-11-12 | | 公開日 | 2023-12-13 | | 最終更新日 | 2024-06-19 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Structure-based discovery of dual pathway inhibitors for SARS-CoV-2 entry.
Nat Commun, 14, 2023
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8HEN
 | | Crystal structure of CTSB in complex with 212-148 | | 分子名称: | 2-[4-[[(2~{S})-1-oxidanylidene-3-phenyl-1-[[(3~{S})-1-phenyl-5-(phenylsulfonyl)pentan-3-yl]amino]propan-2-yl]carbamoyl]piperazin-1-yl]ethyl 4-carbamimidamidobenzoate, Cathepsin B, DIMETHYL SULFOXIDE, ... | | 著者 | Wang, H, Li, D, Sun, L, Yang, H. | | 登録日 | 2022-11-08 | | 公開日 | 2023-12-13 | | 最終更新日 | 2024-06-19 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Structure-based discovery of dual pathway inhibitors for SARS-CoV-2 entry.
Nat Commun, 14, 2023
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7JRA
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7JH2
 | | CRYSTAL STRUCTURE OF RAR-RELATED ORPHAN RECEPTOR C IN COMPLEX WITH A POTENT, SELECTIVE AND ORALLY BIOAVAILABLE ROR-GAMMA-T INVERSE AGONIST | | 分子名称: | 2-({[2-(4-{(3R)-1-(4-acetylpiperazine-1-carbonyl)-3-[(4-fluorophenyl)sulfonyl]pyrrolidin-3-yl}phenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]oxy}methyl)-3-fluorobenzonitrile, Nuclear receptor ROR-gamma, SULFATE ION | | 著者 | Sack, J.S. | | 登録日 | 2020-07-20 | | 公開日 | 2020-08-12 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.367 Å) | | 主引用文献 | Discovery of 2,6-difluorobenzyl ether series of phenyl ((R)-3-phenylpyrrolidin-3-yl)sulfones as surprisingly potent, selective and orally bioavailable ROR gamma t inverse agonists.
Bioorg.Med.Chem.Lett., 30, 2020
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8JBJ
 | | Crystal structure of anti-PVRIG Fab | | 分子名称: | antibody heavy chain, antibody light chain | | 著者 | Sun, J, Li, X.L, Song, J. | | 登録日 | 2023-05-09 | | 公開日 | 2023-06-21 | | 実験手法 | X-RAY DIFFRACTION (1.61 Å) | | 主引用文献 | Identification and characterization of an unexpected isomerization motif in CDRH2 that affects antibody activity.
Mabs, 15, 2023
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3PDJ
 | | Crystal Structure of Human 11-beta-Hydroxysteroid Dehydrogenase 1 (11b-HSD1) in Complex with 4,4-Disubstituted Cyclohexylbenzamide Inhibitor | | 分子名称: | Corticosteroid 11-beta-dehydrogenase isozyme 1, N-[trans-4-(3-amino-3-oxopropyl)-4-phenylcyclohexyl]-N-cyclopropyl-4-[(1S)-2,2,2-trifluoro-1-hydroxy-1-methylethyl]benzamide, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | 著者 | Wang, Z, Sudom, A, Walker, N.P. | | 登録日 | 2010-10-22 | | 公開日 | 2011-10-05 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Synthesis and Optimization of Novel 4,4-Disubstituted Cyclohexylbenzamide Derivatives as Potent 11beta-HSD1 Inhibitors
Bioorg.Med.Chem.Lett., 21, 2011
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7CMW
 | | Complex structure of PARP1 catalytic domain with pamiparib | | 分子名称: | (2R)-14-fluoro-2-methyl-6,9,10,19-tetrazapentacyclo[14.2.1.02,6.08,18.012,17]nonadeca-1(18),8,12(17),13,15-pentaen-11-one, GLYCEROL, Poly [ADP-ribose] polymerase 1 | | 著者 | Feng, Y.C, Peng, H, Hong, Y, Liu, Y. | | 登録日 | 2020-07-29 | | 公開日 | 2020-12-16 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Discovery of Pamiparib (BGB-290), a Potent and Selective Poly (ADP-ribose) Polymerase (PARP) Inhibitor in Clinical Development.
J.Med.Chem., 63, 2020
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5EUQ
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5JG0
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7C2K
 | | COVID-19 RNA-dependent RNA polymerase pre-translocated catalytic complex | | 分子名称: | Non-structural protein 7, Non-structural protein 8, RNA (29-MER), ... | | 著者 | Wang, Q, Gao, Y, Ji, W, Mu, A, Rao, Z. | | 登録日 | 2020-05-07 | | 公開日 | 2020-06-03 | | 最終更新日 | 2024-03-27 | | 実験手法 | ELECTRON MICROSCOPY (2.93 Å) | | 主引用文献 | Structural Basis for RNA Replication by the SARS-CoV-2 Polymerase.
Cell, 182, 2020
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