3BX5
| P38 alpha map kinase complexed with BMS-640994 | Descriptor: | Mitogen-activated protein kinase 14, N-[2-methyl-5-(methylcarbamoyl)phenyl]-2-{[(1R)-1-methylpropyl]amino}-1,3-thiazole-5-carboxamide | Authors: | Sack, J.S. | Deposit date: | 2008-01-11 | Release date: | 2008-04-15 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | The discovery of (R)-2-(sec-butylamino)-N-(2-methyl-5-(methylcarbamoyl)phenyl) thiazole-5-carboxamide (BMS-640994)-A potent and efficacious p38alpha MAP kinase inhibitor Bioorg.Med.Chem.Lett., 18, 2008
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3C5U
| P38 ALPHA map kinase complexed with a benzothiazole based inhibitor | Descriptor: | 6-[4-(2-fluorophenyl)-1,3-oxazol-5-yl]-N-(1-methylethyl)-1,3-benzothiazol-2-amine, Mitogen-activated protein kinase 14 | Authors: | Sack, J.S. | Deposit date: | 2008-02-01 | Release date: | 2008-03-25 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Benzothiazole based inhibitors of p38alpha MAP kinase. Bioorg.Med.Chem.Lett., 18, 2008
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4GJY
| JMJD5 in complex with N-Oxalylglycine | Descriptor: | COBALT (II) ION, JmjC domain-containing protein 5, N-OXALYLGLYCINE | Authors: | Del Rizzo, P.A, Trievel, R.C. | Deposit date: | 2012-08-10 | Release date: | 2012-09-05 | Last modified: | 2012-11-14 | Method: | X-RAY DIFFRACTION (1.2492 Å) | Cite: | Crystal Structure and Functional Analysis of JMJD5 Indicate an Alternate Specificity and Function. Mol.Cell.Biol., 32, 2012
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2ORQ
| Murine Inducible Nitric Oxide Synthase Oxygenase Domain (DELTA 114) 4-(imidazol-1-yl)phenol and piperonylamine Complex | Descriptor: | 1-(1,3-BENZODIOXOL-5-YL)METHANAMINE, 4-(1H-IMIDAZOL-1-YL)PHENOL, Nitric oxide synthase, ... | Authors: | Adler, M, Whitlow, M. | Deposit date: | 2007-02-04 | Release date: | 2007-04-17 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Design, Synthesis, and Activity of 2-Imidazol-1-ylpyrimidine Derived Inducible Nitric Oxide Synthase Dimerization Inhibitors J.Med.Chem., 50, 2007
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5WZT
| Crystal structure of human secreted phospholipase A2 group IIE with Compound 14 | Descriptor: | 2-[1-[(3-bromophenyl)methyl]-2-methyl-3-oxamoyl-indol-4-yl]oxyethanoic acid, CALCIUM ION, DIMETHYL SULFOXIDE, ... | Authors: | Hou, S, Xu, J, Xu, T, Liu, J. | Deposit date: | 2017-01-18 | Release date: | 2018-01-24 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural basis for functional selectivity and ligand recognition revealed by crystal structures of human secreted phospholipase A2 group IIE Sci Rep, 7, 2017
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3BTY
| Crystal structure of human ABH2 bound to dsDNA containing 1meA through cross-linking away from active site | Descriptor: | Alpha-ketoglutarate-dependent dioxygenase alkB homolog 2, DNA (5'-D(*DCP*DTP*DGP*DTP*DAP*DTP*(MA7)P*DAP*DCP*DTP*DGP*DCP*DG)-3'), DNA (5'-D(*DTP*DCP*DGP*DCP*DAP*DGP*DTP*DTP*DAP*DTP*DAP*DCP*DA)-3'), ... | Authors: | Yang, C.-G, Yi, C, He, C. | Deposit date: | 2007-12-31 | Release date: | 2008-04-22 | Last modified: | 2024-10-09 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Crystal structures of DNA/RNA repair enzymes AlkB and ABH2 bound to dsDNA. Nature, 452, 2008
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8FB9
| LH2-LH3 antenna in anti parallel configuration embedded in a nanodisc | Descriptor: | BACTERIOCHLOROPHYLL A, LYCOPENE, Light-harvesting protein B-800/850 alpha chain, ... | Authors: | Toporik, H, Harris, D, Schlau-Cohen, G.S, Mazor, Y. | Deposit date: | 2022-11-29 | Release date: | 2023-07-19 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (6.4 Å) | Cite: | Elucidating interprotein energy transfer dynamics within the antenna network from purple bacteria. Proc.Natl.Acad.Sci.USA, 120, 2023
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2PUU
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8G9B
| Human IMPDH2 mutant - L245P, treated with GTP, ATP, IMP, and NAD+; compressed filament segment reconstruction | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, INOSINIC ACID, ... | Authors: | O'Neill, A.G, Kollman, J.M. | Deposit date: | 2023-02-21 | Release date: | 2023-04-19 | Last modified: | 2023-08-09 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Neurodevelopmental disorder mutations in the purine biosynthetic enzyme IMPDH2 disrupt its allosteric regulation. J.Biol.Chem., 299, 2023
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1PL6
| Human SDH/NADH/inhibitor complex | Descriptor: | 4-[2-(HYDROXYMETHYL)PYRIMIDIN-4-YL]-N,N-DIMETHYLPIPERAZINE-1-SULFONAMIDE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Sorbitol dehydrogenase, ... | Authors: | Pauly, T.A, Ekstrom, J.L, Beebe, D.A, Chrunyk, B, Cunningham, D, Griffor, M, Kamath, A, Lee, S.E, Madura, R, Mcguire, D, Subashi, T, Wasilko, D, Watts, P, Mylari, B.L, Oates, P.J, Adams, P.D, Rath, V.L. | Deposit date: | 2003-06-07 | Release date: | 2004-02-17 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | X-ray crystallographic and kinetic studies of human sorbitol dehydrogenase. Structure, 11, 2003
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5VUI
| Structure of rat neuronal nitric oxide synthase heme domain in complex with 7-(((3-Fluorophenyl)amino)methyl)quinolin-2-amine Dihydrochloride | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, 7-{[(3-fluorophenyl)amino]methyl}quinolin-2-amine, ACETATE ION, ... | Authors: | Li, H, Poulos, T.L. | Deposit date: | 2017-05-19 | Release date: | 2017-08-16 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.06 Å) | Cite: | Hydrophilic, Potent, and Selective 7-Substituted 2-Aminoquinolines as Improved Human Neuronal Nitric Oxide Synthase Inhibitors. J. Med. Chem., 60, 2017
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5VUT
| Structure of rat neuronal nitric oxide synthase heme domain in complex with 4-(2-(((2-Amino-4-methylquinolin-7-yl)methyl)amino)ethyl)benzonitrile | Descriptor: | 4-(2-{[(2-amino-4-methylquinolin-7-yl)methyl]amino}ethyl)benzonitrile, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ... | Authors: | Li, H, Poulos, T.L. | Deposit date: | 2017-05-19 | Release date: | 2017-08-16 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Hydrophilic, Potent, and Selective 7-Substituted 2-Aminoquinolines as Improved Human Neuronal Nitric Oxide Synthase Inhibitors. J. Med. Chem., 60, 2017
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8G8F
| Human IMPDH2 mutant - L245P, treated with ATP, IMP, and NAD+; extended filament segment reconstruction | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, INOSINIC ACID, Inosine-5'-monophosphate dehydrogenase 2, ... | Authors: | O'Neill, A.G, Kollman, J.M. | Deposit date: | 2023-02-17 | Release date: | 2023-04-19 | Last modified: | 2023-08-09 | Method: | ELECTRON MICROSCOPY (2.6 Å) | Cite: | Neurodevelopmental disorder mutations in the purine biosynthetic enzyme IMPDH2 disrupt its allosteric regulation. J.Biol.Chem., 299, 2023
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2ZB1
| Crystal structure of P38 in complex with biphenyl amide inhibitor | Descriptor: | GLYCEROL, Mitogen-activated protein kinase 14, N-(cyclopropylmethyl)-2'-methyl-5'-(5-methyl-1,3,4-oxadiazol-2-yl)biphenyl-4-carboxamide | Authors: | Somers, D.O. | Deposit date: | 2007-10-13 | Release date: | 2008-01-15 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Biphenyl amide p38 kinase inhibitors 1: Discovery and binding mode Bioorg.Med.Chem.Lett., 18, 2008
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5VTA
| Co-Crystal Structure of DPPIV with a Chemibody Inhibitor | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-{4-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]piperazin-1-yl}-N-(22-oxo-3,6,9,12,15,18-hexaoxa-21-azatricosan-1-yl)acetamide, ... | Authors: | Wang, Z, Johnstone, S, Cheng, A. | Deposit date: | 2017-05-16 | Release date: | 2018-05-09 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structure-guided Discovery of Dual-recognition Chemibodies. Sci Rep, 8, 2018
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5VUO
| Structure of rat neuronal nitric oxide synthase heme domain in complex with 7-(((3-(4-Methoxypyridin-3-yl)propyl)amino)methyl)quinolin-2-amine | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, 7-({[3-(4-methoxypyridin-3-yl)propyl]amino}methyl)quinolin-2-amine, ACETATE ION, ... | Authors: | Li, H, Poulos, T.L. | Deposit date: | 2017-05-19 | Release date: | 2017-08-16 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Hydrophilic, Potent, and Selective 7-Substituted 2-Aminoquinolines as Improved Human Neuronal Nitric Oxide Synthase Inhibitors. J. Med. Chem., 60, 2017
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2ZAZ
| Crystal structure of P38 in complex with 4-anilino quinoline inhibitor | Descriptor: | 4-{4-[(5-hydroxy-2-methylphenyl)amino]quinolin-7-yl}-1,3-thiazole-2-carbaldehyde, ACETATE ION, GLYCEROL, ... | Authors: | Somers, D.O. | Deposit date: | 2007-10-12 | Release date: | 2008-01-15 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Biphenyl amide p38 kinase inhibitors 1: Discovery and binding mode Bioorg.Med.Chem.Lett., 18, 2008
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8GED
| CryoEM structure of beta-2-adrenergic receptor in complex with nucleotide-free Gs heterotrimer (#14 of 20) | Descriptor: | (5R,6R)-6-(methylamino)-5,6,7,8-tetrahydronaphthalene-1,2,5-triol, Beta-2 adrenergic receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | Authors: | Papasergi-Scott, M.M, Skiniotis, G. | Deposit date: | 2023-03-06 | Release date: | 2024-03-06 | Last modified: | 2024-06-05 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Time-resolved cryo-EM of G-protein activation by a GPCR. Nature, 629, 2024
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8GG8
| CryoEM structure of beta-2-adrenergic receptor in complex with GTP-bound Gs heterotrimer (transition intermediate #14 of 20) | Descriptor: | (5R,6R)-6-(methylamino)-5,6,7,8-tetrahydronaphthalene-1,2,5-triol, Beta-2 adrenergic receptor, GUANOSINE-5'-TRIPHOSPHATE, ... | Authors: | Papasergi-Scott, M.M, Skiniotis, G. | Deposit date: | 2023-03-08 | Release date: | 2024-03-06 | Last modified: | 2024-06-12 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Time-resolved cryo-EM of G-protein activation by a GPCR. Nature, 629, 2024
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4G78
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3C6T
| Crystal Structure of HIV Reverse Transcriptase in complex with inhibitor 14 | Descriptor: | 2-[3-chloro-5-(3-chloro-5-cyanophenoxy)phenoxy]-N-(2-chloro-4-sulfamoylphenyl)acetamide, Reverse transcriptase | Authors: | Yan, Y, Prasad, S. | Deposit date: | 2008-02-05 | Release date: | 2008-04-22 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | The design and synthesis of diaryl ether second generation HIV-1 non-nucleoside reverse transcriptase inhibitors (NNRTIs) with enhanced potency versus key clinical mutations. Bioorg.Med.Chem.Lett., 18, 2008
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8GGV
| Locally refined cryoEM structure of receptor from beta-2-adrenergic receptor in complex with GTP-bound Gs heterotrimer (transition intermediate #14 of 20) | Descriptor: | (5R,6R)-6-(methylamino)-5,6,7,8-tetrahydronaphthalene-1,2,5-triol, Beta-2 adrenergic receptor | Authors: | Papasergi-Scott, M.M, Skiniotis, G. | Deposit date: | 2023-03-08 | Release date: | 2024-03-06 | Last modified: | 2024-06-05 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Time-resolved cryo-EM of G-protein activation by a GPCR. Nature, 629, 2024
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2PCD
| STRUCTURE OF PROTOCATECHUATE 3,4-DIOXYGENASE FROM PSEUDOMONAS AERUGINOSA AT 2.15 ANGSTROMS RESOLUTION | Descriptor: | FE (III) ION, PROTOCATECHUATE 3,4-DIOXYGENASE (ALPHA CHAIN), PROTOCATECHUATE 3,4-DIOXYGENASE (BETA CHAIN) | Authors: | Ohlendorf, D.H, Orville, A.M, Lipscomb, J.D. | Deposit date: | 1994-06-21 | Release date: | 1994-12-20 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Structure of protocatechuate 3,4-dioxygenase from Pseudomonas aeruginosa at 2.15 A resolution. J.Mol.Biol., 244, 1994
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6WTI
| The Cryo-EM structure of the ubiquinol oxidase from Escherichia coli | Descriptor: | 1,2-Distearoyl-sn-glycerophosphoethanolamine, COPPER (II) ION, Cytochrome o ubiquinol oxidase, ... | Authors: | Su, C.-C. | Deposit date: | 2020-05-02 | Release date: | 2021-01-20 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (2.38 Å) | Cite: | A 'Build and Retrieve' methodology to simultaneously solve cryo-EM structures of membrane proteins. Nat.Methods, 18, 2021
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3BUC
| X-ray structure of human ABH2 bound to dsDNA with Mn(II) and 2KG | Descriptor: | 2-OXOGLUTARIC ACID, Alpha-ketoglutarate-dependent dioxygenase alkB homolog 2, DNA (5'-D(*DCP*DTP*DGP*DTP*DAP*DTP*(MA7)P*DAP*DCP*DTP*DGP*DCP*DG)-3'), ... | Authors: | Yang, C.-G, Yi, C, He, C. | Deposit date: | 2008-01-02 | Release date: | 2008-04-22 | Last modified: | 2024-10-16 | Method: | X-RAY DIFFRACTION (2.59 Å) | Cite: | Crystal structures of DNA/RNA repair enzymes AlkB and ABH2 bound to dsDNA. Nature, 452, 2008
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