3G90
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3F5O
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![BU of 3f5o by Molmil](/molmil-images/mine/3f5o) | Crystal Structure of hTHEM2(undecan-2-one-CoA) complex | Descriptor: | CHLORIDE ION, COENZYME A, HEXAETHYLENE GLYCOL, ... | Authors: | Xu, H, Gong, W. | Deposit date: | 2008-11-04 | Release date: | 2009-08-18 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | 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
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![BU of 2p1e by Molmil](/molmil-images/mine/2p1e) | Crystal structure of the Leishmania infantum glyoxalase II with D-Lactate at the active site | Descriptor: | Glyoxalase II, LACTIC ACID, SPERMIDINE, ... | Authors: | Trincao, J, Barata, L, Najmudin, S, Bonifacio, C, Romao, M.J. | Deposit date: | 2007-03-05 | Release date: | 2008-01-15 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Catalysis and Structural Properties of Leishmania infantum Glyoxalase II: Trypanothione Specificity and Phylogeny. Biochemistry, 47, 2008
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2P18
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![BU of 2p18 by Molmil](/molmil-images/mine/2p18) | Crystal structure of the Leishmania infantum glyoxalase II | Descriptor: | ACETIC ACID, Glyoxalase II, SPERMIDINE, ... | Authors: | Trincao, J, Barata, L, Najmudin, S, Bonifacio, C, Romao, M.J. | Deposit date: | 2007-03-02 | Release date: | 2008-01-15 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Catalysis and Structural Properties of Leishmania infantum Glyoxalase II: Trypanothione Specificity and Phylogeny. Biochemistry, 47, 2008
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6NE8
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4YVE
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![BU of 4yve by Molmil](/molmil-images/mine/4yve) | ROCK 1 bound to methoxyphenyl thiazole inhibitor | Descriptor: | 2-(3-methoxyphenyl)-N-[4-(pyridin-4-yl)-1,3-thiazol-2-yl]acetamide, Rho-associated protein kinase 1 | Authors: | Jacobs, M.D. | Deposit date: | 2015-03-19 | Release date: | 2015-06-10 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3.4 Å) | Cite: | Design, Synthesis, and Structure-Activity Relationships of Pyridine-Based Rho Kinase (ROCK) Inhibitors. J.Med.Chem., 58, 2015
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8JED
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![BU of 8jed by Molmil](/molmil-images/mine/8jed) | Crystal structure of mRNA cap (guanine-N7) methyltransferase E12 subunit from monkeypox virus and discovery of its inhibitors | Descriptor: | mRNA-capping enzyme regulatory subunit OPG124 | Authors: | Wang, D, Zhao, R, Shu, W, Hu, W, Wang, M, Cao, J, Zhou, X. | Deposit date: | 2023-05-15 | Release date: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.16 Å) | Cite: | 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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2XDE
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![BU of 2xde by Molmil](/molmil-images/mine/2xde) | Crystal structure of the complex of PF-3450074 with an engineered HIV capsid N terminal domain | Descriptor: | GAG POLYPROTEIN, N-METHYL-NALPHA-[(2-METHYL-1H-INDOL-3-YL)ACETYL]-N-PHENYL-L-PHENYLALANINAMIDE | Authors: | Brown, D.G, Irving, S.L, Anderson, M, Bazin, R. | Deposit date: | 2010-04-30 | Release date: | 2010-12-22 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | HIV Capsid is a Tractable Target for Small Molecule Therapeutic Intervention. Plos Pathog., 6, 2010
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1VJI
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![BU of 1vji by Molmil](/molmil-images/mine/1vji) | Gene Product of At1g76680 from Arabidopsis thaliana | Descriptor: | 12-oxophytodienoate reductase (OPR1), FLAVIN MONONUCLEOTIDE | Authors: | Wesenberg, G.E, Smith, D.W, Phillips Jr, G.N, Johnson, K.A, Bingman, C.A, Center for Eukaryotic Structural Genomics (CESG) | Deposit date: | 2004-02-24 | Release date: | 2004-03-16 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.003 Å) | Cite: | X-ray structure of Arabidopsis At1g77680, 12-oxophytodienoate reductase isoform 1. Proteins, 61, 2005
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4YVC
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![BU of 4yvc by Molmil](/molmil-images/mine/4yvc) | ROCK 1 bound to thiazole inhibitor | Descriptor: | 2-fluoro-N-[4-(pyridin-4-yl)-1,3-thiazol-2-yl]benzamide, Rho-associated protein kinase 1 | Authors: | Jacobs, M.D. | Deposit date: | 2015-03-19 | Release date: | 2015-06-10 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Design, Synthesis, and Structure-Activity Relationships of Pyridine-Based Rho Kinase (ROCK) Inhibitors. J.Med.Chem., 58, 2015
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5BML
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![BU of 5bml by Molmil](/molmil-images/mine/5bml) | ROCK 1 bound to a pyridine thiazole inhibitor | Descriptor: | N-[4-(2-fluoropyridin-4-yl)thiophen-2-yl]-2-{3-[(methylsulfonyl)amino]phenyl}acetamide, Rho-associated protein kinase 1 | Authors: | Jacobs, M.D. | Deposit date: | 2015-05-22 | Release date: | 2015-06-10 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | Design, Synthesis, and Structure-Activity Relationships of Pyridine-Based Rho Kinase (ROCK) Inhibitors. J.Med.Chem., 58, 2015
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8DD5
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![BU of 8dd5 by Molmil](/molmil-images/mine/8dd5) | Crystal structure of KAT6A in complex with inhibitor CTx-648 (PF-9363) | Descriptor: | 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 | Authors: | Greasley, S.E, Johnson, E, Brodsky, O. | Deposit date: | 2022-06-17 | Release date: | 2023-07-05 | Method: | X-RAY DIFFRACTION (2.58 Å) | Cite: | 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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3I5Z
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3I4B
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![BU of 3i4b by Molmil](/molmil-images/mine/3i4b) | Crystal structure of GSK3b in complex with a pyrimidylpyrrole inhibitor | Descriptor: | Glycogen synthase kinase-3 beta, N-[(1S)-2-hydroxy-1-phenylethyl]-4-[5-methyl-2-(phenylamino)pyrimidin-4-yl]-1H-pyrrole-2-carboxamide | Authors: | Ter Haar, E. | Deposit date: | 2009-07-01 | Release date: | 2010-01-12 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | 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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3I60
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8CM9
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![BU of 8cm9 by Molmil](/molmil-images/mine/8cm9) | Structure of human O-GlcNAc transferase in complex with UDP and tP11 | Descriptor: | PHE-MET-PRO-LYS-TYR-SER-ILE, UDP-N-acetylglucosamine--peptide N-acetylglucosaminyltransferase 110 kDa subunit, URIDINE-5'-DIPHOSPHATE | Authors: | Meek, R.W, Davies, G.J. | Deposit date: | 2023-02-18 | Release date: | 2023-10-04 | Last modified: | 2024-04-10 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | 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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7KKE
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![BU of 7kke by Molmil](/molmil-images/mine/7kke) | Phosphoinositide 3-Kinase gamma bound to a thiazole inhibitor | Descriptor: | N-[2-(3,3-dimethylbutoxy)ethyl]-N'-{4-methyl-5-[(pyridin-4-yl)ethynyl]-1,3-thiazol-2-yl}urea, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | Authors: | Jacobs, M.D, Griffith, J.P. | Deposit date: | 2020-10-27 | Release date: | 2021-03-24 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.81 Å) | Cite: | Discovery of a Novel Series of Potent and Selective Alkynylthiazole-Derived PI3K gamma Inhibitors. Acs Med.Chem.Lett., 12, 2021
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8D74
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8D7R
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8D7E
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8D6A
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8D7H
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![BU of 8d7h by Molmil](/molmil-images/mine/8d7h) | Cryo-EM structure of human CLCF1 in complex with CRLF1 and CNTFR alpha | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Cardiotrophin-like cytokine factor 1, ... | Authors: | Zhou, Y, Franklin, M.C. | Deposit date: | 2022-06-07 | Release date: | 2023-03-29 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Structural insights into the assembly of gp130 family cytokine signaling complexes. Sci Adv, 9, 2023
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8D85
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8D82
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7KNU
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