7LCU
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![BU of 7lcu by Molmil](/molmil-images/mine/7lcu) | X-ray structure of Furin bound to BOS-318, a small molecule inhibitor | Descriptor: | (1-{[2-(3,5-dichlorophenyl)-6-{[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]oxy}pyridin-4-yl]methyl}piperidin-4-yl)acetic acid, 1,2-ETHANEDIOL, CALCIUM ION, ... | Authors: | Campobasso, N, Reid, R. | Deposit date: | 2021-01-11 | Release date: | 2022-01-12 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.24 Å) | Cite: | A highly selective, cell-permeable furin inhibitor BOS-318 rescues key features of cystic fibrosis airway disease. Cell Chem Biol, 29, 2022
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2THI
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1C3Q
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![BU of 1c3q by Molmil](/molmil-images/mine/1c3q) | CRYSTAL STRUCTURE OF NATIVE THIAZOLE KINASE IN THE MONOCLINIC FORM | Descriptor: | 2-(4-METHYL-THIAZOL-5-YL)-ETHANOL, CHLORIDE ION, Hydroxyethylthiazole kinase | Authors: | Campobasso, N, Mathews, I.I, Begley, T.P, Ealick, S.E. | Deposit date: | 1999-07-28 | Release date: | 1999-08-09 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structure of 4-methyl-5-beta-hydroxyethylthiazole kinase from Bacillus subtilis at 1.5 A resolution. Biochemistry, 39, 2000
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4THI
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![BU of 4thi by Molmil](/molmil-images/mine/4thi) | THIAMINASE I FROM BACILLUS THIAMINOLYTICUS WITH COVALENTLY BOUND 4-AMINO-2,5-DIMETHYLPYRIMIDINE | Descriptor: | 2,5-DIMETHYL-PYRIMIDIN-4-YLAMINE, PROTEIN (THIAMINASE I), SULFATE ION | Authors: | Campobasso, N, Begley, T.P, Ealick, S.E. | Deposit date: | 1998-10-05 | Release date: | 1998-10-14 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structure of thiaminase-I from Bacillus thiaminolyticus at 2.0 A resolution. Biochemistry, 37, 1998
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6NPE
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![BU of 6npe by Molmil](/molmil-images/mine/6npe) | C-abl Kinase domain with the activator(cmpd6), 2-cyano-N-(4-(3,4-dichlorophenyl)thiazol-2-yl)acetamide | Descriptor: | 2-cyano-~{N}-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]ethanamide, 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE, NONAETHYLENE GLYCOL, ... | Authors: | campobasso, N. | Deposit date: | 2019-01-17 | Release date: | 2019-03-13 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Identification and Optimization of Novel Small c-Abl Kinase Activators Using Fragment and HTS Methodologies. J. Med. Chem., 62, 2019
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6NPV
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6NPU
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5TX5
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![BU of 5tx5 by Molmil](/molmil-images/mine/5tx5) | Rip1 Kinase ( flag 1-294, C34A, C127A, C233A, C240A) with GSK772 | Descriptor: | 3-benzyl-N-[(3S)-5-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzoxazepin-3-yl]-1H-1,2,4-triazole-5-carboxamide, Receptor-interacting serine/threonine-protein kinase 1 | Authors: | Campobasso, N, Ward, P, Thrope, J. | Deposit date: | 2016-11-15 | Release date: | 2017-07-05 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.56 Å) | Cite: | Discovery of a First-in-Class Receptor Interacting Protein 1 (RIP1) Kinase Specific Clinical Candidate (GSK2982772) for the Treatment of Inflammatory Diseases. J. Med. Chem., 60, 2017
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1TVZ
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![BU of 1tvz by Molmil](/molmil-images/mine/1tvz) | Crystal structure of 3-hydroxy-3-methylglutaryl-coenzyme A synthase from Staphylococcus aureus | Descriptor: | 3-hydroxy-3-methylglutaryl-CoA synthase, SULFATE ION | Authors: | Campobasso, N, Patel, M, Wilding, I.E, Kallender, H, Rosenberg, M, Gwynn, M. | Deposit date: | 2004-06-30 | Release date: | 2004-08-31 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Staphylococcus aureus 3-hydroxy-3-methylglutaryl-CoA synthase: crystal structure and mechanism J.Biol.Chem., 279, 2004
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1TXT
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![BU of 1txt by Molmil](/molmil-images/mine/1txt) | Staphylococcus aureus 3-hydroxy-3-methylglutaryl-CoA synthase | Descriptor: | 3-hydroxy-3-methylglutaryl-CoA synthase, ACETOACETYL-COENZYME A | Authors: | Campobasso, N, Patel, M, Wilding, I.E, Kallender, H, Rosenberg, M, Gwynn, M. | Deposit date: | 2004-07-06 | Release date: | 2004-08-31 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.501 Å) | Cite: | Staphylococcus aureus 3-hydroxy-3-methylglutaryl-CoA synthase: crystal structure and mechanism J.Biol.Chem., 279, 2004
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6OW2
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![BU of 6ow2 by Molmil](/molmil-images/mine/6ow2) | X-ray Structure of Polypeptide Deformylase | Descriptor: | (2R)-2-(cyclopentylmethyl)-N'-{5-fluoro-6-[(9aS)-hexahydropyrazino[2,1-c][1,4]oxazin-8(1H)-yl]-2-methylpyrimidin-4-yl}-3-[hydroxy(hydroxymethyl)amino]propanehydrazide, NICKEL (II) ION, Peptide deformylase | Authors: | Campobasso, N, Spletstoser, J, Ward, P. | Deposit date: | 2019-05-09 | Release date: | 2019-06-26 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Discovery of piperazic acid peptide deformylase inhibitors with in vivo activity for respiratory tract and skin infections. Bioorg.Med.Chem.Lett., 29, 2019
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6OW7
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![BU of 6ow7 by Molmil](/molmil-images/mine/6ow7) | X-ray Structure of Polypeptide Deformylase with a Piperazic Acid | Descriptor: | (3S)-2-{(2R)-2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl}-N-(pyridin-2-yl)hexahydropyridazine-3-carboxamide, NICKEL (II) ION, Peptide deformylase, ... | Authors: | Campobasso, N, Spletstoser, J, Ward, P. | Deposit date: | 2019-05-09 | Release date: | 2019-06-26 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Discovery of piperazic acid peptide deformylase inhibitors with in vivo activity for respiratory tract and skin infections. Bioorg.Med.Chem.Lett., 29, 2019
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5HG1
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![BU of 5hg1 by Molmil](/molmil-images/mine/5hg1) | Crystal Structure of Human Hexokinase 2 with cmpd 1, a C-2-substituted glucosamine | Descriptor: | 2-deoxy-2-{[(2E)-3-(3,4-dichlorophenyl)prop-2-enoyl]amino}-alpha-D-glucopyranose, 6-O-phosphono-beta-D-glucopyranose, CITRATE ANION, ... | Authors: | Campobasso, N, Zhao, B, Smallwood, A. | Deposit date: | 2016-01-07 | Release date: | 2016-03-30 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.76 Å) | Cite: | Discovery of a Novel 2,6-Disubstituted Glucosamine Series of Potent and Selective Hexokinase 2 Inhibitors. Acs Med.Chem.Lett., 7, 2016
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5HEX
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![BU of 5hex by Molmil](/molmil-images/mine/5hex) | Crystal Structure of Human Hexokinase 2 with cmpd 30, a 2-amino-6-benzenesulfonamide glucosamine | Descriptor: | 2-[(3-bromobenzene-1-carbonyl)amino]-6-{[(4-carboxy-5-methylfuran-2-yl)sulfonyl]amino}-2,6-dideoxy-alpha-D-glucopyranos e, Hexokinase-2 | Authors: | Campobasso, N, Zhao, B, Smallwood, A. | Deposit date: | 2016-01-06 | Release date: | 2016-03-30 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.734 Å) | Cite: | Discovery of a Novel 2,6-Disubstituted Glucosamine Series of Potent and Selective Hexokinase 2 Inhibitors. Acs Med.Chem.Lett., 7, 2016
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5HX6
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![BU of 5hx6 by Molmil](/molmil-images/mine/5hx6) | Crystal structure of RIP1 kinase with a benzo[b][1,4]oxazepin-4-one | Descriptor: | 5-benzyl-N-[(3S)-5-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzoxazepin-3-yl]-1,2-oxazole-3-carboxamide, Receptor-interacting serine/threonine-protein kinase 1 | Authors: | Campobasso, N, Ward, P. | Deposit date: | 2016-01-29 | Release date: | 2016-03-02 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.23 Å) | Cite: | DNA-Encoded Library Screening Identifies Benzo[b][1,4]oxazepin-4-ones as Highly Potent and Monoselective Receptor Interacting Protein 1 Kinase Inhibitors. J.Med.Chem., 59, 2016
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5HFU
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![BU of 5hfu by Molmil](/molmil-images/mine/5hfu) | Crystal Structure of Human Hexokinase 2 with cmpd 27, a 2-amido-6-benzenesulfonamide glucosamine | Descriptor: | Hexokinase-2, ~{N}-[(2~{S},3~{R},4~{R},5~{S},6~{R})-6-[[(4-cyanophenyl)sulfonylamino]methyl]-2,4,5-tris(oxidanyl)oxan-3-yl]-3-phenyl-benzamide | Authors: | Campobasso, N, Zhao, B, Smallwood, A. | Deposit date: | 2016-01-07 | Release date: | 2016-03-30 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.923 Å) | Cite: | Discovery of a Novel 2,6-Disubstituted Glucosamine Series of Potent and Selective Hexokinase 2 Inhibitors. Acs Med.Chem.Lett., 7, 2016
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6N4T
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1ESJ
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![BU of 1esj by Molmil](/molmil-images/mine/1esj) | CRYSTAL STRUCTURE OF THIAZOLE KINASE MUTANT (C198S) | Descriptor: | HYDROXYETHYLTHIAZOLE KINASE, SULFATE ION | Authors: | Campobasso, N, Mathews, I.I, Begley, T.P, Ealick, S.E. | Deposit date: | 2000-04-10 | Release date: | 2000-08-09 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structure of 4-methyl-5-beta-hydroxyethylthiazole kinase from Bacillus subtilis at 1.5 A resolution. Biochemistry, 39, 2000
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1ESQ
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![BU of 1esq by Molmil](/molmil-images/mine/1esq) | CRYSTAL STRUCTURE OF THIAZOLE KINASE MUTANT (C198S) WITH ATP AND THIAZOLE PHOSPHATE. | Descriptor: | 4-METHYL-5-HYDROXYETHYLTHIAZOLE PHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, HYDROXYETHYLTHIAZOLE KINASE, ... | Authors: | Campobasso, N, Mathews, I.I, Begley, T.P, Ealick, S.E. | Deposit date: | 2000-04-10 | Release date: | 2000-08-09 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal structure of 4-methyl-5-beta-hydroxyethylthiazole kinase from Bacillus subtilis at 1.5 A resolution. Biochemistry, 39, 2000
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1EKK
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![BU of 1ekk by Molmil](/molmil-images/mine/1ekk) | CRYSTAL STRUCTURE OF HYDROXYETHYLTHIAZOLE KINASE IN THE R3 FORM WITH HYDROXYETHYLTHIAZOLE | Descriptor: | 2-(4-METHYL-THIAZOL-5-YL)-ETHANOL, HYDROXYETHYLTHIAZOLE KINASE, SULFUR DIOXIDE | Authors: | Campobasso, N, Mathews, I.I, Begley, T.P, Ealick, S.E. | Deposit date: | 2000-03-09 | Release date: | 2000-08-09 | Last modified: | 2014-11-12 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structure of 4-methyl-5-beta-hydroxyethylthiazole kinase from Bacillus subtilis at 1.5 A resolution. Biochemistry, 39, 2000
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1EKQ
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3NUY
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3NUU
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3NUN
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3NUS
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