4JSV
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![BU of 4jsv by Molmil](/molmil-images/mine/4jsv) | mTOR kinase structure, mechanism and regulation. | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Serine/threonine-protein kinase mTOR, ... | Authors: | Pavletich, N.P, Yang, H. | Deposit date: | 2013-03-22 | Release date: | 2013-05-01 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | mTOR kinase structure, mechanism and regulation. Nature, 497, 2013
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1GUH
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![BU of 1guh by Molmil](/molmil-images/mine/1guh) | Structure determination and refinement of human alpha class glutathione transferase A1-1, and a comparison with the MU and PI class enzymes | Descriptor: | GLUTATHIONE S-TRANSFERASE A1-1, S-BENZYL-GLUTATHIONE | Authors: | Sinning, I, Kleywegt, G.J, Jones, T.A. | Deposit date: | 1993-02-24 | Release date: | 1993-10-31 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structure determination and refinement of human alpha class glutathione transferase A1-1, and a comparison with the Mu and Pi class enzymes. J.Mol.Biol., 232, 1993
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4JSX
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![BU of 4jsx by Molmil](/molmil-images/mine/4jsx) | structure of mTORDeltaN-mLST8-Torin2 complex | Descriptor: | 9-(6-aminopyridin-3-yl)-1-[3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2(1H)-one, Serine/threonine-protein kinase mTOR, Target of rapamycin complex subunit LST8 | Authors: | Pavletich, N.P, Yang, H. | Deposit date: | 2013-03-22 | Release date: | 2013-05-08 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | mTOR kinase structure, mechanism and regulation. Nature, 497, 2013
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1GOZ
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![BU of 1goz by Molmil](/molmil-images/mine/1goz) | |
4JSN
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![BU of 4jsn by Molmil](/molmil-images/mine/4jsn) | structure of mTORdeltaN-mLST8 complex | Descriptor: | Serine/threonine-protein kinase mTOR, Target of rapamycin complex subunit LST8 | Authors: | Pavletich, N.P. | Deposit date: | 2013-03-22 | Release date: | 2013-05-08 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | mTOR kinase structure, mechanism and regulation. Nature, 497, 2013
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3NAY
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![BU of 3nay by Molmil](/molmil-images/mine/3nay) | PDK1 in complex with inhibitor MP6 | Descriptor: | 3-phosphoinositide-dependent protein kinase 1, 4-(2-cyclopropylethylidene)-9-(1H-pyrazol-4-yl)-6-{[(1R)-1,2,2-trimethylpropyl]amino}benzo[c][1,6]naphthyridin-1(4H)-one | Authors: | Yan, Y, Munshi, S.K, Allison, T. | Deposit date: | 2010-06-02 | Release date: | 2010-11-24 | Last modified: | 2018-01-24 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Selective inhibition of PDK1 using an allosteric kinase inhibitor and RNAi impairs cancer cell migration and anchorage-independent growth of primary tumor lines J.Biol.Chem., 2010
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4JT6
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![BU of 4jt6 by Molmil](/molmil-images/mine/4jt6) | structure of mTORDeltaN-mLST8-PI-103 complex | Descriptor: | 3-(4-MORPHOLIN-4-YLPYRIDO[3',2':4,5]FURO[3,2-D]PYRIMIDIN-2-YL)PHENOL, mLST8, mTOR | Authors: | Pavletich, N.P, Yang, H. | Deposit date: | 2013-03-22 | Release date: | 2013-05-08 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (3.6 Å) | Cite: | mTOR kinase structure, mechanism and regulation. Nature, 497, 2013
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1FRO
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![BU of 1fro by Molmil](/molmil-images/mine/1fro) | |
4JSP
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![BU of 4jsp by Molmil](/molmil-images/mine/4jsp) | structure of mTORDeltaN-mLST8-ATPgammaS-Mg complex | Descriptor: | MAGNESIUM ION, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, Serine/threonine-protein kinase mTOR, ... | Authors: | Pavletich, N.P, Yang, H. | Deposit date: | 2013-03-22 | Release date: | 2013-05-01 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | mTOR kinase structure, mechanism and regulation. Nature, 497, 2013
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4JT5
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![BU of 4jt5 by Molmil](/molmil-images/mine/4jt5) | mTORdeltaN-mLST8-pp242 complex | Descriptor: | 2-[4-amino-1-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-3-yl]-1H-indol-5-ol, Serine/threonine-protein kinase mTOR, Target of rapamycin complex subunit LST8 | Authors: | Pavletich, N.P, Yang, H. | Deposit date: | 2013-03-22 | Release date: | 2013-05-08 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (3.45 Å) | Cite: | mTOR kinase structure, mechanism and regulation. Nature, 497, 2013
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8RSA
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![BU of 8rsa by Molmil](/molmil-images/mine/8rsa) | |
4MVA
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![BU of 4mva by Molmil](/molmil-images/mine/4mva) | 1.43 Angstrom Resolution Crystal Structure of Triosephosphate Isomerase (tpiA) from Escherichia coli in Complex with Acetyl Phosphate. | Descriptor: | 1,2-ETHANEDIOL, ACETYLPHOSPHATE, CHLORIDE ION, ... | Authors: | Minasov, G, Kuhn, M.L, Dubrovska, I, Winsor, J, Shuvalova, L, Grimshaw, S, Kwon, K, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2013-09-23 | Release date: | 2014-04-16 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.43 Å) | Cite: | Structural, kinetic and proteomic characterization of acetyl phosphate-dependent bacterial protein acetylation. Plos One, 9, 2014
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3NAX
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![BU of 3nax by Molmil](/molmil-images/mine/3nax) | PDK1 in complex with inhibitor MP7 | Descriptor: | 1-(3,4-difluorobenzyl)-2-oxo-N-{(1R)-2-[(2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)oxy]-1-phenylethyl}-1,2-dihydropyridine-3-carboxamide, 3-phosphoinositide-dependent protein kinase 1 | Authors: | Yan, Y, Munshi, S.K, Allison, T. | Deposit date: | 2010-06-02 | Release date: | 2010-11-24 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Genetic and pharmacological inhibition of PDK1 in cancer cells: characterization of a selective allosteric kinase inhibitor. J.Biol.Chem., 286, 2011
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4L68
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![BU of 4l68 by Molmil](/molmil-images/mine/4l68) | |
4MVJ
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![BU of 4mvj by Molmil](/molmil-images/mine/4mvj) | 2.85 Angstrom Resolution Crystal Structure of Glyceraldehyde 3-phosphate Dehydrogenase A (gapA) from Escherichia coli Modified by Acetyl Phosphate. | Descriptor: | ACETATE ION, ACETYLPHOSPHATE, CHLORIDE ION, ... | Authors: | Minasov, G, Kuhn, M, Dubrovska, I, Winsor, J, Shuvalova, L, Grimshaw, S, Kwon, K, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2013-09-24 | Release date: | 2014-04-23 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Structural, kinetic and proteomic characterization of acetyl phosphate-dependent bacterial protein acetylation. Plos One, 9, 2014
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2C4J
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![BU of 2c4j by Molmil](/molmil-images/mine/2c4j) | Human glutathione-S-transferase M2-2 T210S mutant in complex with glutathione-styrene oxide conjugate | Descriptor: | GLUTATHIONE S-TRANSFERASE MU 2, L-GAMMA-GLUTAMYL-S-[(2S)-2-HYDROXY-2-PHENYLETHYL]-L-CYSTEINYLGLYCINE | Authors: | Tars, K, Andersson, M, Ivarsson, Y, Olin, B, Mannervik, B. | Deposit date: | 2005-10-20 | Release date: | 2005-10-26 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Alternative Mutations of a Positively Selected Residue Elicit Gain or Loss of Functionalities in Enzyme Evolution. Proc.Natl.Acad.Sci.USA, 103, 2006
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3ZRY
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![BU of 3zry by Molmil](/molmil-images/mine/3zry) | |
1HCY
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![BU of 1hcy by Molmil](/molmil-images/mine/1hcy) | |
1HC1
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![BU of 1hc1 by Molmil](/molmil-images/mine/1hc1) | |
7JU8
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![BU of 7ju8 by Molmil](/molmil-images/mine/7ju8) | X-ray structure of MMP-13 in Complex with 4-(1,2,3-thiadiazol-4-yl)pyridine | Descriptor: | 4-(1,2,3-thiadiazol-4-yl)pyridine, CALCIUM ION, Collagenase 3, ... | Authors: | Farrow, N.A. | Deposit date: | 2020-08-19 | Release date: | 2021-08-04 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Indole Inhibitors of MMP-13 for Arthritic Disorders Acs Omega, 6, 2021
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7L12
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![BU of 7l12 by Molmil](/molmil-images/mine/7l12) | CRYSTAL STRUCTURE OF THE SARS-COV-2(2019-NCOV) MAIN PROTEASE IN COMPLEX WITH COMPOUND 14 | Descriptor: | (5S)-5-{3-[3-(benzyloxy)-5-chlorophenyl]-2-oxo[2H-[1,3'-bipyridine]]-5-yl}pyrimidine-2,4(3H,5H)-dione, 3C-like proteinase | Authors: | Deshmukh, M.G, Ippolito, J.A, Zhang, C.H, Jorgensen, W.L, Anderson, K.S. | Deposit date: | 2020-12-14 | Release date: | 2021-03-03 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Potent Noncovalent Inhibitors of the Main Protease of SARS-CoV-2 from Molecular Sculpting of the Drug Perampanel Guided by Free Energy Perturbation Calculations. Acs Cent.Sci., 7, 2021
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7L14
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![BU of 7l14 by Molmil](/molmil-images/mine/7l14) | CRYSTAL STRUCTURE OF THE SARS-COV-2(2019-NCOV) MAIN PROTEASE IN COMPLEX WITH COMPOUND 26 | Descriptor: | 2-{3-[3-chloro-5-(cyclopropylmethoxy)phenyl]-2-oxo[2H-[1,3'-bipyridine]]-5-yl}benzonitrile, 3C-like proteinase | Authors: | Deshmukh, M.G, Ippolito, J.A, Stone, E.A, Jorgensen, W.L, Anderson, K.S. | Deposit date: | 2020-12-14 | Release date: | 2021-03-03 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Potent Noncovalent Inhibitors of the Main Protease of SARS-CoV-2 from Molecular Sculpting of the Drug Perampanel Guided by Free Energy Perturbation Calculations. Acs Cent.Sci., 7, 2021
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7L13
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![BU of 7l13 by Molmil](/molmil-images/mine/7l13) | CRYSTAL STRUCTURE OF THE SARS-COV-2(2019-NCOV) MAIN PROTEASE IN COMPLEX WITH COMPOUND 21 | Descriptor: | (5S)-5-(3-{3-chloro-5-[(2-chlorophenyl)methoxy]phenyl}-2-oxo[2H-[1,3'-bipyridine]]-5-yl)pyrimidine-2,4(3H,5H)-dione, 3C-like proteinase | Authors: | Deshmukh, M.G, Ippolito, J.A, Zhang, C.H, Jorgensen, W.L, Anderson, K.S. | Deposit date: | 2020-12-14 | Release date: | 2021-03-03 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.17 Å) | Cite: | Potent Noncovalent Inhibitors of the Main Protease of SARS-CoV-2 from Molecular Sculpting of the Drug Perampanel Guided by Free Energy Perturbation Calculations. Acs Cent.Sci., 7, 2021
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7L10
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![BU of 7l10 by Molmil](/molmil-images/mine/7l10) | CRYSTAL STRUCTURE OF THE SARS-COV-2 (2019-NCOV) MAIN PROTEASE IN COMPLEX WITH COMPOUND 4 | Descriptor: | 2-[3-(3,5-dichlorophenyl)-2-oxo[2H-[1,3'-bipyridine]]-5-yl]benzonitrile, 3C-like proteinase | Authors: | Deshmukh, M.G, Ippolito, J.A, Stone, E.A, Jorgensen, W.L, Anderson, K.S. | Deposit date: | 2020-12-13 | Release date: | 2021-03-03 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | Potent Noncovalent Inhibitors of the Main Protease of SARS-CoV-2 from Molecular Sculpting of the Drug Perampanel Guided by Free Energy Perturbation Calculations. Acs Cent.Sci., 7, 2021
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7L11
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![BU of 7l11 by Molmil](/molmil-images/mine/7l11) | CRYSTAL STRUCTURE OF THE SARS-COV-2(2019-NCOV) MAIN PROTEASE IN COMPLEX WITH COMPOUND 5 | Descriptor: | 2-[3-(3-chloro-5-propoxyphenyl)-2-oxo[2H-[1,3'-bipyridine]]-5-yl]benzonitrile, 3C-like proteinase | Authors: | Deshmukh, M.G, Ippolito, J.A, Stone, E.A, Jorgensen, W.L, Anderson, K.S. | Deposit date: | 2020-12-14 | Release date: | 2021-03-03 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Potent Noncovalent Inhibitors of the Main Protease of SARS-CoV-2 from Molecular Sculpting of the Drug Perampanel Guided by Free Energy Perturbation Calculations. Acs Cent.Sci., 7, 2021
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