3CZY
 
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4HM5
 | | Naphthalene 1,2-Dioxygenase bound to indene | | Descriptor: | 1,2-ETHANEDIOL, 2,3-dihydro-1H-indene, FE (III) ION, ... | | Authors: | Ferraro, D.J, Ramaswamy, S. | | Deposit date: | 2012-10-17 | | Release date: | 2013-10-30 | | Last modified: | 2024-11-27 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | One enzyme, many reactions: structural basis for the various reactions catalyzed by naphthalene 1,2-dioxygenase.
Iucrj, 4, 2017
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4HM4
 | | Naphthalene 1,2-Dioxygenase bound to indan | | Descriptor: | 1,2-ETHANEDIOL, 2,3-dihydro-1H-indene, FE (III) ION, ... | | Authors: | Ferraro, D.J, Ramaswamy, S. | | Deposit date: | 2012-10-17 | | Release date: | 2013-10-30 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | One enzyme, many reactions: structural basis for the various reactions catalyzed by naphthalene 1,2-dioxygenase.
Iucrj, 4, 2017
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1TMX
 | | Crystal structure of hydroxyquinol 1,2-dioxygenase from Nocardioides Simplex 3E | | Descriptor: | 1-HEPTADECANOYL-2-TRIDECANOYL-3-GLYCEROL-PHOSPHONYL CHOLINE, BENZOIC ACID, CHLORIDE ION, ... | | Authors: | Ferraroni, M, Travkin, V.M, Seifert, J, Schlomann, M, Golovleva, L, Scozzafava, A, Briganti, F. | | Deposit date: | 2004-06-11 | | Release date: | 2005-03-22 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Crystal structure of the hydroxyquinol 1,2-dioxygenase from Nocardioides simplex 3E, a key enzyme involved in polychlorinated aromatics biodegradation.
J.Biol.Chem., 280, 2005
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4HKV
 | | Naphthalene 1,2-Dioxygenase bound to benzamide | | Descriptor: | 1,2-ETHANEDIOL, BENZAMIDE, FE (III) ION, ... | | Authors: | Ferraro, D.J, Ramaswamy, S. | | Deposit date: | 2012-10-15 | | Release date: | 2013-10-30 | | Last modified: | 2024-09-18 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | One enzyme, many reactions: structural basis for the various reactions catalyzed by naphthalene 1,2-dioxygenase.
Iucrj, 4, 2017
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4HM0
 | | Naphthalene 1,2-Dioxygenase bound to indole-3-acetate | | Descriptor: | 1,2-ETHANEDIOL, 1H-INDOL-3-YLACETIC ACID, FE (III) ION, ... | | Authors: | Ferraro, D.J, Ramaswamy, S. | | Deposit date: | 2012-10-17 | | Release date: | 2013-10-30 | | Last modified: | 2024-09-18 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | One enzyme, many reactions: structural basis for the various reactions catalyzed by naphthalene 1,2-dioxygenase.
Iucrj, 4, 2017
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4HM7
 | | Naphthalene 1,2-Dioxygenase bound to styrene | | Descriptor: | 1,2-ETHANEDIOL, FE (III) ION, FE2/S2 (INORGANIC) CLUSTER, ... | | Authors: | Ferraro, D.J, Ramaswamy, S. | | Deposit date: | 2012-10-17 | | Release date: | 2013-10-30 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | One enzyme, many reactions: structural basis for the various reactions catalyzed by naphthalene 1,2-dioxygenase.
Iucrj, 4, 2017
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3TGM
 | | X-Ray Crystal Structure of Human Heme Oxygenase-1 in Complex with 1-(1H-imidazol-1-yl)-4,4-diphenyl-2 butanone | | Descriptor: | 1-(1H-imidazol-1-yl)-4,4-diphenylbutan-2-one, HEXANE-1,6-DIOL, Heme oxygenase 1, ... | | Authors: | Rahman, M.N, Jia, Z. | | Deposit date: | 2011-08-17 | | Release date: | 2012-02-01 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | A novel, "double-clamp" binding mode for human heme oxygenase-1 inhibition.
Plos One, 7, 2012
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4IL6
 | | Structure of Sr-substituted photosystem II | | Descriptor: | 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ... | | Authors: | Koua, F.H.M, Umena, Y, Kawakami, K, Kamiya, N, Shen, J.R. | | Deposit date: | 2012-12-29 | | Release date: | 2013-03-06 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structure of Sr-substituted photosystem II at 2.1 A resolution and its implications in the mechanism of water oxidation
Proc.Natl.Acad.Sci.USA, 110, 2013
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4HJL
 | | Naphthalene 1,2-Dioxygenase bound to 1-chloronaphthalene | | Descriptor: | 1,2-ETHANEDIOL, 1-chloronaphthalene, FE (III) ION, ... | | Authors: | Ferraro, D.J, Ramaswamy, S. | | Deposit date: | 2012-10-12 | | Release date: | 2013-10-16 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | One enzyme, many reactions: structural basis for the various reactions catalyzed by naphthalene 1,2-dioxygenase.
Iucrj, 4, 2017
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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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2ORR
 | | Murine Inducible Nitric Oxide Synthase Oxygenase Domain (Delta 114) 4-(Benzo[1,3]dioxol-5-yloxy)-2-(4-imidazol-1-yl-phenoxy)-pyrimidine Complex | | Descriptor: | 1,2-ETHANEDIOL, 4-(1,3-BENZODIOXOL-5-YLOXY)-2-[4-(1H-IMIDAZOL-1-YL)PHENOXY]PYRIMIDINE, 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 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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2ORS
 | | Murine Inducible Nitric Oxide Synthase Oxygenase Domain (DELTA 114) 4-(Benzo[1,3]dioxol-5-yloxy)-2-(4-imidazol-1-yl-phenoxy)-6-methyl-pyrimidine Complex | | Descriptor: | 1,2-ETHANEDIOL, 4-(1,3-BENZODIOXOL-5-YLOXY)-2-[4-(1H-IMIDAZOL-1-YL)PHENOXY]-6-METHYLPYRIMIDINE, 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 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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8PUO
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8PY3
 | | Crystal structure of human Sirt2 in complex with a 1,2,4-oxadiazole based inhibitor | | Descriptor: | 1,2-ETHANEDIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-chloranyl-~{N}-[4-[5-[[(3~{S})-1-[(3-fluoranyl-2-methyl-phenyl)methyl]piperidin-3-yl]methyl]-1,2,4-oxadiazol-3-yl]phenyl]benzamide, ... | | Authors: | Friedrich, F, Colcerasa, A, Einsle, O, Jung, M. | | Deposit date: | 2023-07-24 | | Release date: | 2024-06-19 | | Last modified: | 2024-07-10 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Structure-Activity Studies of 1,2,4-Oxadiazoles for the Inhibition of the NAD + -Dependent Lysine Deacylase Sirtuin 2.
J.Med.Chem., 67, 2024
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6P8M
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2Q6N
 | | Structure of Cytochrome P450 2B4 with Bound 1-(4-cholorophenyl)imidazole | | Descriptor: | 1-(4-CHLOROPHENYL)-1H-IMIDAZOLE, Cytochrome P450 2B4, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Zhao, Y, Sun, L, Muralidhara, B.K, Kumar, S, White, M.A, Stout, C.D, Halpert, J.R. | | Deposit date: | 2007-06-05 | | Release date: | 2007-11-06 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Structural and thermodynamic consequences of 1-(4-chlorophenyl)imidazole binding to cytochrome P450 2B4.
Biochemistry, 46, 2007
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6NFP
 | | 1.7 Angstrom Resolution Crystal Structure of Arginase from Bacillus subtilis subsp. subtilis str. 168 | | Descriptor: | 1,2-ETHANEDIOL, Arginase, CHLORIDE ION, ... | | Authors: | Minasov, G, Wawrzak, Z, Evdokimova, E, Grimshaw, S, Kwon, K, Savchenko, A, Satchell, K.J.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2018-12-20 | | Release date: | 2019-01-02 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | 1.7 Angstrom Resolution Crystal Structure of Arginase from Bacillus subtilis subsp. subtilis str. 168
To Be Published
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6O3G
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4WTP
 | | Crystal structure of glycoside hydrolase family 17 beta-1,3-glucanosyltransferase from Rhizomucor miehei | | Descriptor: | 1,2-ETHANEDIOL, beta-1,3-glucanosyltransferase | | Authors: | Qin, Z, Yan, Q, Lei, J, Yang, S, Jiang, Z. | | Deposit date: | 2014-10-30 | | Release date: | 2015-08-12 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | The first crystal structure of a glycoside hydrolase family 17 beta-1,3-glucanosyltransferase displays a unique catalytic cleft.
Acta Crystallogr.,Sect.D, 71, 2015
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6O3J
 | | Crystal structure of the Fab fragment of the human HIV-1 neutralizing antibody PGZL1 in complex with its MPER peptide epitope (region 671-683 of HIV-1 gp41) and phosphatidic acid (06:0 PA) | | Descriptor: | (2R)-3-(phosphonooxy)propane-1,2-diyl dihexanoate, (4S)-2-METHYL-2,4-PENTANEDIOL, MPER peptide, ... | | Authors: | Irimia, A, Wilson, I.A. | | Deposit date: | 2019-02-26 | | Release date: | 2019-12-04 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (3.416 Å) | | Cite: | An MPER antibody neutralizes HIV-1 using germline features shared among donors.
Nat Commun, 10, 2019
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8ZIN
 | | Terephthalate 1,2-cis-dihydrodioldehydrogenase/Decarboxylase in complex with 2,4-dihydroxybenzoate. | | Descriptor: | 1,2-ETHANEDIOL, 2,4-DIHYDROXYBENZOIC ACID, 4-hydroxythreonine-4-phosphate dehydrogenase, ... | | Authors: | Kumar, K.A, Pahwa, D, Kumar, P. | | Deposit date: | 2024-05-14 | | Release date: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Terephthalate 1,2-cis-dihydrodioldehydrogenase/Decarboxylase in complex with 2,4-dihydroxybenzoate.
To Be Published
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6O3L
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5NS8
 | | Crystal structure of beta-glucosidase BglM-G1 mutant H75R from marine metagenome in complex with inhibitor 1-Deoxynojirimycin | | Descriptor: | 1-DEOXYNOJIRIMYCIN, GLYCEROL, SULFATE ION, ... | | Authors: | Mhaindarkar, D.C, Gasper, R, Lupilova, N, Leichert, L.I, Hofmann, E. | | Deposit date: | 2017-04-25 | | Release date: | 2018-08-08 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Loss of a conserved salt bridge in bacterial glycosyl hydrolase BgIM-G1 improves substrate binding in temperate environments.
Commun Biol, 1, 2018
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7PQT
 | | Apo human Kv3.1 cryo-EM structure | | Descriptor: | POTASSIUM ION, Potassium voltage-gated channel subfamily C member 1 | | Authors: | Botte, M, Huber, S, Bucher, D, Klint, J.K, Rodriguez, D, Tagmose, L, Chami, M, Cheng, R, Hennig, M, Abdul Rhaman, W. | | Deposit date: | 2021-09-20 | | Release date: | 2022-08-17 | | Last modified: | 2024-07-17 | | Method: | ELECTRON MICROSCOPY (2.65 Å) | | Cite: | Apo and ligand-bound high resolution Cryo-EM structures of the human Kv3.1 channel reveal a novel binding site for positive modulators.
Pnas Nexus, 1, 2022
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