3G90
 
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3F5O
 | | Crystal Structure of hTHEM2(undecan-2-one-CoA) complex | | 分子名称: | CHLORIDE ION, COENZYME A, HEXAETHYLENE GLYCOL, ... | | 著者 | Xu, H, Gong, W. | | 登録日 | 2008-11-04 | | 公開日 | 2009-08-18 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | The mechanisms of human hotdog-fold thioesterase 2 (hTHEM2) substrate recognition and catalysis illuminated by a structure and function based analysis
Biochemistry, 48, 2009
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2P1E
 | | Crystal structure of the Leishmania infantum glyoxalase II with D-Lactate at the active site | | 分子名称: | Glyoxalase II, LACTIC ACID, SPERMIDINE, ... | | 著者 | Trincao, J, Barata, L, Najmudin, S, Bonifacio, C, Romao, M.J. | | 登録日 | 2007-03-05 | | 公開日 | 2008-01-15 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Catalysis and Structural Properties of Leishmania infantum Glyoxalase II: Trypanothione Specificity and Phylogeny.
Biochemistry, 47, 2008
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2P18
 | | Crystal structure of the Leishmania infantum glyoxalase II | | 分子名称: | ACETIC ACID, Glyoxalase II, SPERMIDINE, ... | | 著者 | Trincao, J, Barata, L, Najmudin, S, Bonifacio, C, Romao, M.J. | | 登録日 | 2007-03-02 | | 公開日 | 2008-01-15 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Catalysis and Structural Properties of Leishmania infantum Glyoxalase II: Trypanothione Specificity and Phylogeny.
Biochemistry, 47, 2008
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5UZJ
 | | Crystal Structure of ROCK1 bound to an aminopyridine inhibitor | | 分子名称: | N-[4-(2-aminopyridin-4-yl)-1,3-thiazol-2-yl]-2-(3-methoxyphenyl)acetamide, Rho-associated protein kinase 1 | | 著者 | Jacobs, M.D. | | 登録日 | 2017-02-26 | | 公開日 | 2018-03-07 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (3.3 Å) | | 主引用文献 | ROCK inhibitors 3: Design, synthesis and structure-activity relationships of 7-azaindole-based Rho kinase (ROCK) inhibitors.
Bioorg. Med. Chem. Lett., 28, 2018
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4YVE
 | | ROCK 1 bound to methoxyphenyl thiazole inhibitor | | 分子名称: | 2-(3-methoxyphenyl)-N-[4-(pyridin-4-yl)-1,3-thiazol-2-yl]acetamide, Rho-associated protein kinase 1 | | 著者 | Jacobs, M.D. | | 登録日 | 2015-03-19 | | 公開日 | 2015-06-10 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (3.4 Å) | | 主引用文献 | Design, Synthesis, and Structure-Activity Relationships of Pyridine-Based Rho Kinase (ROCK) Inhibitors.
J.Med.Chem., 58, 2015
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7AMY
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7ALW
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6NE8
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1VJI
 | | Gene Product of At1g76680 from Arabidopsis thaliana | | 分子名称: | 12-oxophytodienoate reductase (OPR1), FLAVIN MONONUCLEOTIDE | | 著者 | Wesenberg, G.E, Smith, D.W, Phillips Jr, G.N, Johnson, K.A, Bingman, C.A, Center for Eukaryotic Structural Genomics (CESG) | | 登録日 | 2004-02-24 | | 公開日 | 2004-03-16 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (2.003 Å) | | 主引用文献 | X-ray structure of Arabidopsis At1g77680, 12-oxophytodienoate reductase isoform 1.
Proteins, 61, 2005
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4YVC
 | | ROCK 1 bound to thiazole inhibitor | | 分子名称: | 2-fluoro-N-[4-(pyridin-4-yl)-1,3-thiazol-2-yl]benzamide, Rho-associated protein kinase 1 | | 著者 | Jacobs, M.D. | | 登録日 | 2015-03-19 | | 公開日 | 2015-06-10 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | | 主引用文献 | Design, Synthesis, and Structure-Activity Relationships of Pyridine-Based Rho Kinase (ROCK) Inhibitors.
J.Med.Chem., 58, 2015
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2XDE
 | | Crystal structure of the complex of PF-3450074 with an engineered HIV capsid N terminal domain | | 分子名称: | GAG POLYPROTEIN, N-METHYL-NALPHA-[(2-METHYL-1H-INDOL-3-YL)ACETYL]-N-PHENYL-L-PHENYLALANINAMIDE | | 著者 | Brown, D.G, Irving, S.L, Anderson, M, Bazin, R. | | 登録日 | 2010-04-30 | | 公開日 | 2010-12-22 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | HIV Capsid is a Tractable Target for Small Molecule Therapeutic Intervention.
Plos Pathog., 6, 2010
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5BML
 | | ROCK 1 bound to a pyridine thiazole inhibitor | | 分子名称: | N-[4-(2-fluoropyridin-4-yl)thiophen-2-yl]-2-{3-[(methylsulfonyl)amino]phenyl}acetamide, Rho-associated protein kinase 1 | | 著者 | Jacobs, M.D. | | 登録日 | 2015-05-22 | | 公開日 | 2015-06-10 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (2.95 Å) | | 主引用文献 | Design, Synthesis, and Structure-Activity Relationships of Pyridine-Based Rho Kinase (ROCK) Inhibitors.
J.Med.Chem., 58, 2015
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8CM9
 | | Structure of human O-GlcNAc transferase in complex with UDP and tP11 | | 分子名称: | PHE-MET-PRO-LYS-TYR-SER-ILE, UDP-N-acetylglucosamine--peptide N-acetylglucosaminyltransferase 110 kDa subunit, URIDINE-5'-DIPHOSPHATE | | 著者 | Meek, R.W, Davies, G.J. | | 登録日 | 2023-02-18 | | 公開日 | 2023-10-04 | | 最終更新日 | 2024-04-10 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Phage display uncovers a sequence motif that drives polypeptide binding to a conserved regulatory exosite of O-GlcNAc transferase.
Proc.Natl.Acad.Sci.USA, 120, 2023
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8DD5
 | | Crystal structure of KAT6A in complex with inhibitor CTx-648 (PF-9363) | | 分子名称: | 2,6-dimethoxy-N-{4-methoxy-6-[(1H-pyrazol-1-yl)methyl]-1,2-benzoxazol-3-yl}benzene-1-sulfonamide, Histone acetyltransferase KAT6A, ZINC ION | | 著者 | Greasley, S.E, Johnson, E, Brodsky, O. | | 登録日 | 2022-06-17 | | 公開日 | 2023-07-05 | | 実験手法 | X-RAY DIFFRACTION (2.58 Å) | | 主引用文献 | Targeting KAT6A/KAT6B dependencies in breast cancer with a novel selective, orally bioavailable KAT6 inhibitor, CTx-648/PF-9363
To Be Published
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3I60
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3I4B
 | | Crystal structure of GSK3b in complex with a pyrimidylpyrrole inhibitor | | 分子名称: | Glycogen synthase kinase-3 beta, N-[(1S)-2-hydroxy-1-phenylethyl]-4-[5-methyl-2-(phenylamino)pyrimidin-4-yl]-1H-pyrrole-2-carboxamide | | 著者 | Ter Haar, E. | | 登録日 | 2009-07-01 | | 公開日 | 2010-01-12 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Structure-guided design of potent and selective pyrimidylpyrrole inhibitors of extracellular signal-regulated kinase (ERK) using conformational control.
J.Med.Chem., 52, 2009
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3I5Z
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5KKT
 | | ROCK 1 bound to azaindole thiazole piperazine inhibitor | | 分子名称: | 2-[3-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]-~{N}-[4-(1~{H}-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]ethanamide, Rho-associated protein kinase 1 | | 著者 | Jacobs, M.D. | | 登録日 | 2016-06-22 | | 公開日 | 2017-06-28 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | ROCK inhibitors 3: Design, synthesis and structure-activity relationships of 7-azaindole-based Rho kinase (ROCK) inhibitors
Bioorg.Med.Chem.Lett., 2018
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5KKS
 | | ROCK 1 bound to azaindole thiazole inhibitor | | 分子名称: | 2-[3-(methylsulfonylamino)phenyl]-~{N}-[4-(1~{H}-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]ethanamide, Rho-associated protein kinase 1 | | 著者 | Jacobs, M.D. | | 登録日 | 2016-06-22 | | 公開日 | 2017-06-28 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (3.3 Å) | | 主引用文献 | ROCK inhibitors 3: Design, synthesis and structure-activity relationships of 7-azaindole-based Rho kinase (ROCK) inhibitors
Bioorg.Med.Chem.Lett., 2018
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8JED
 | | Crystal structure of mRNA cap (guanine-N7) methyltransferase E12 subunit from monkeypox virus and discovery of its inhibitors | | 分子名称: | mRNA-capping enzyme regulatory subunit OPG124 | | 著者 | Wang, D, Zhao, R, Shu, W, Hu, W, Wang, M, Cao, J, Zhou, X. | | 登録日 | 2023-05-15 | | 公開日 | 2023-12-06 | | 実験手法 | X-RAY DIFFRACTION (2.16 Å) | | 主引用文献 | Crystal structure of mRNA cap (guanine-N7) methyltransferase E12 subunit from monkeypox virus and discovery of its inhibitors.
Int.J.Biol.Macromol., 253, 2023
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8D74
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8D7R
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8D7E
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8D6A
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