2A9A
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![BU of 2a9a by Molmil](/molmil-images/mine/2a9a) | Crystal structure of recombinant chicken sulfite oxidase with the bound product, sulfate, at the active site | Descriptor: | MOLYBDENUM ATOM, PHOSPHONIC ACIDMONO-(2-AMINO-5,6-DIMERCAPTO-4-OXO-3,7,8A,9,10,10A-HEXAHYDRO-4H-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-7-YLMETHYL)ESTER, SULFATE ION, ... | Authors: | Karakas, E, Wilson, H.L, Graf, T.N, Xiang, S, Jaramillo-Busquets, S, Rajagopalan, K.V, Kisker, C. | Deposit date: | 2005-07-11 | Release date: | 2005-08-02 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.003 Å) | Cite: | Structural insights into sulfite oxidase deficiency J.Biol.Chem., 280, 2005
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1JIK
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![BU of 1jik by Molmil](/molmil-images/mine/1jik) | Crystal structure of S. aureus TyrRS in complex with SB-243545 | Descriptor: | [2-AMINO-3-(4-HYDROXY-PHENYL)-PROPIONYLAMINO]-(1,3,4,5-TETRAHYDROXY-4-HYDROXYMETHYL-PIPERIDIN-2-YL)- ACETIC ACID BUTYL ESTER, tyrosyl-tRNA synthetase | Authors: | Qiu, X, Janson, C.A, Smith, W.W, Jarvest, R.L. | Deposit date: | 2001-07-02 | Release date: | 2001-10-26 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Crystal structure of Staphylococcus aureus tyrosyl-tRNA synthetase in complex with a class of potent and specific inhibitors. Protein Sci., 10, 2001
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1Y9H
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![BU of 1y9h by Molmil](/molmil-images/mine/1y9h) | Methylation of cytosine at C5 in a CpG sequence context causes a conformational switch of a benzo[a]pyrene diol epoxide-N2-guanine adduct in DNA from a minor groove alignment to intercalation with base displacement | Descriptor: | 1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE, 5'-D(*CP*CP*AP*TP*(5CM)P*(BPG)P*CP*TP*AP*CP*C)-3', 5'-D(*GP*GP*TP*AP*GP*CP*GP*AP*TP*GP*G)-3' | Authors: | Zhang, N, Lin, C, Huang, X, Kolbanovskiy, A, Hingerty, B.E, Amin, S, Broyde, S, Geacintov, N.E, Patel, D.J. | Deposit date: | 2004-12-15 | Release date: | 2005-03-22 | Last modified: | 2024-04-24 | Method: | SOLUTION NMR | Cite: | Methylation of cytosine at C5 in a CpG sequence context causes a conformational switch of a benzo[a]pyrene diol epoxide-N2-guanine adduct in DNA from a minor groove alignment to intercalation with base displacement. J.Mol.Biol., 346, 2005
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1UU5
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![BU of 1uu5 by Molmil](/molmil-images/mine/1uu5) | X-RAY CRYSTAL STRUCTURE OF THE CATALYTIC DOMAIN OF HUMICOLA GRISEA CEL12A SOAKED WITH CELLOTETRAOSE | Descriptor: | ACETATE ION, ENDO-BETA-1,4-GLUCANASE, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-3)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose | Authors: | Berglund, G.I, Shaw, A, Stahlberg, J, Kenne, L, Driguez, T.H, Mitchinson, C, Sandgren, M. | Deposit date: | 2003-12-15 | Release date: | 2004-09-16 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.67 Å) | Cite: | Crystal Complex Structures Reveal How Substrate is Bound in the -4 to the +2 Binding Sites of Humicola Grisea Cel12A J.Mol.Biol., 342, 2004
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1K2R
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![BU of 1k2r by Molmil](/molmil-images/mine/1k2r) | Structure of rat brain nNOS heme domain complexed with NG-nitro-L-arginine | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, N-OMEGA-NITRO-L-ARGININE, ... | Authors: | Li, H, Martasek, P, Masters, B.S.S, Poulos, T.L, Raman, C.S. | Deposit date: | 2001-09-28 | Release date: | 2003-03-04 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Structure of rat brain nNOS heme domain To be Published
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1ZLT
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![BU of 1zlt by Molmil](/molmil-images/mine/1zlt) | Crystal Structure of Chk1 Complexed with a Hymenaldisine Analog | Descriptor: | (4Z)-4-(2-AMINO-5-OXO-3,5-DIHYDRO-4H-IMIDAZOL-4-YLIDENE)-2,3-DICHLORO-4,5,6,7-TETRAHYDROPYRROLO[2,3-C]AZEPIN-8(1H)-ONE, SULFATE ION, Serine/threonine-protein kinase Chk1 | Authors: | Lee, C.C, Ng, K, Wan, Y, Gray, N, Spraggon, G. | Deposit date: | 2005-05-09 | Release date: | 2006-06-27 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | Crystal Structure of Chk1 Complexed with a Hymenaldisine Analog To be Published
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1YVJ
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![BU of 1yvj by Molmil](/molmil-images/mine/1yvj) | Crystal structure of the Jak3 kinase domain in complex with a staurosporine analogue | Descriptor: | (2S,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL, 1,2,3,4-TETRAHYDROGEN-STAUROSPORINE, Tyrosine-protein kinase JAK3 | Authors: | Boggon, T.J, Li, Y, Manley, P.W, Eck, M.J. | Deposit date: | 2005-02-15 | Release date: | 2005-05-24 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Crystal structure of the Jak3 kinase domain in complex with a staurosporine analog Blood, 106, 2005
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1LZZ
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![BU of 1lzz by Molmil](/molmil-images/mine/1lzz) | Rat neuronal NOS heme domain with N-isopropyl-N'-hydroxyguanidine bound | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, N-ISOPROPYL-N'-HYDROXYGUANIDINE, ... | Authors: | Li, H, Shimizu, H, Flinspach, M, Jamal, J, Yang, W, Xian, M, Cai, T, Wen, E.Z, Jia, Q, Wang, P.G, Poulos, T.L. | Deposit date: | 2002-06-11 | Release date: | 2002-11-27 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | The Novel Binding Mode of N-Alkyl-N'-Hydroxyguanidine to Neuronal Nitric Oxide
Synthase Provides Mechanistic Insights into NO Biosynthesis Biochemistry, 41, 2002
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1Z34
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![BU of 1z34 by Molmil](/molmil-images/mine/1z34) | Crystal structure of Trichomonas vaginalis purine nucleoside phosphorylase complexed with 2-fluoro-2'-deoxyadenosine | Descriptor: | 5-(6-AMINO-2-FLUORO-PURIN-9-YL)-2-HYDROXYMETHYL-TETRAHYDRO-FURAN-3-OL, purine nucleoside phosphorylase | Authors: | Zhang, Y, Wang, W.H, Wu, S.W, Wang, C.C, Ealick, S.E. | Deposit date: | 2005-03-10 | Release date: | 2005-03-29 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Identification of a subversive substrate of Trichomonas vaginalis purine nucleoside phosphorylase and the crystal structure of the enzyme-substrate complex. J.Biol.Chem., 280, 2005
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1YW8
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![BU of 1yw8 by Molmil](/molmil-images/mine/1yw8) | h-MetAP2 complexed with A751277 | Descriptor: | 2-[(PHENYLSULFONYL)AMINO]-5,6,7,8-TETRAHYDRONAPHTHALENE-1-CARBOXYLIC ACID, MANGANESE (II) ION, Methionine aminopeptidase 2 | Authors: | Park, C.H. | Deposit date: | 2005-02-17 | Release date: | 2006-02-21 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Discovery and optimization of anthranilic acid sulfonamides as inhibitors of methionine aminopeptidase-2: a structural basis for the reduction of albumin binding. J.Med.Chem., 49, 2006
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1YZ3
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![BU of 1yz3 by Molmil](/molmil-images/mine/1yz3) | Structure of human pnmt complexed with cofactor product adohcy and inhibitor SK&F 64139 | Descriptor: | 7,8-DICHLORO-1,2,3,4-TETRAHYDROISOQUINOLINE, Phenylethanolamine N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE | Authors: | Wu, Q, Gee, C.L, Lin, F, Martin, J.L, Grunewald, G.L, McLeish, M.J. | Deposit date: | 2005-02-27 | Release date: | 2006-02-07 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural, mutagenic, and kinetic analysis of the binding of substrates and inhibitors of human phenylethanolamine N-methyltransferase J.Med.Chem., 48, 2005
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1DM8
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![BU of 1dm8 by Molmil](/molmil-images/mine/1dm8) | BOVINE ENDOTHELIAL NITRIC OXIDE SYNTHASE HEME DOMAIN COMPLEXED WITH 1,2,4-TRIAZOLE-CARBOXAMIDINE (H4B BOUND) | Descriptor: | 1,2,4-TRIAZOLE-CARBOXAMIDINE, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ... | Authors: | Raman, C.S, Li, H, Martasek, P, Southan, G.J, Masters, B.S.S, Poulos, T.L. | Deposit date: | 1999-12-13 | Release date: | 2000-12-13 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Crystal Structures of Bovine Endothelial Nitric Oxide Synthase Heme Domain Complexed With Various Inhibitors To be Published
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1Z35
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![BU of 1z35 by Molmil](/molmil-images/mine/1z35) | Crystal structure of Trichomonas vaginalis purine nucleoside phosphorylase complexed with 2-fluoroadenosine | Descriptor: | 2-(6-AMINO-2-FLUORO-PURIN-9-YL)-5-HYDROXYMETHYL-TETRAHYDRO-FURAN-3,4-DIOL, purine nucleoside phosphorylase | Authors: | Zhang, Y, Wang, W.H, Wu, S.W, Wang, C.C, Ealick, S.E. | Deposit date: | 2005-03-10 | Release date: | 2005-03-29 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Identification of a subversive substrate of Trichomonas vaginalis purine nucleoside phosphorylase and the crystal structure of the enzyme-substrate complex. J.Biol.Chem., 280, 2005
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1DMI
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![BU of 1dmi by Molmil](/molmil-images/mine/1dmi) | BOVINE ENDOTHELIAL NITRIC OXIDE SYNTHASE HEME DOMAIN COMPLEXED WITH 6S-H4B | Descriptor: | 6S-5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, CACODYLATE ION, ... | Authors: | Raman, C.S, Li, H, Martasek, P, Kotsonis, P, Pfleiderer, W, Schmidt, H.H.H.W, Masters, B.S.S, Poulos, T.L. | Deposit date: | 1999-12-14 | Release date: | 2000-12-20 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal Structures of Bovine Endothelial Nitric Oxide Synthase Heme Domain Complexed with the Pterin Analogues To be Published
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1LZX
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![BU of 1lzx by Molmil](/molmil-images/mine/1lzx) | Rat neuronal NOS heme domain with NG-hydroxy-L-arginine bound | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, N-OMEGA-HYDROXY-L-ARGININE, ... | Authors: | Li, H, Shimizu, H, Flinspach, M, Jamal, J, Yang, W, Xian, M, Cai, T, Wen, E.Z, Jia, Q, Wang, P.G, Poulos, T.L. | Deposit date: | 2002-06-11 | Release date: | 2002-11-27 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The Novel Binding Mode of N-Alkyl-N'-Hydroxyguanidine to Neuronal Nitric Oxide
Synthase Provides Mechanistic Insights into NO Biosynthesis Biochemistry, 41, 2002
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1M6B
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![BU of 1m6b by Molmil](/molmil-images/mine/1m6b) | Structure of the HER3 (ERBB3) Extracellular Domain | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Receptor protein-tyrosine kinase erbB-3, ... | Authors: | Leahy, D.J, Cho, H.-S. | Deposit date: | 2002-07-15 | Release date: | 2002-08-02 | Last modified: | 2021-10-27 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structure of the extracellular region of HER3 reveals an interdomain tether. Science, 297, 2002
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1YW9
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![BU of 1yw9 by Molmil](/molmil-images/mine/1yw9) | h-MetAP2 complexed with A849519 | Descriptor: | 2-[({2-[(1Z)-3-(DIMETHYLAMINO)PROP-1-ENYL]-4-FLUOROPHENYL}SULFONYL)AMINO]-5,6,7,8-TETRAHYDRONAPHTHALENE-1-CARBOXYLIC ACID, MANGANESE (II) ION, Methionine aminopeptidase 2 | Authors: | Park, C.H. | Deposit date: | 2005-02-17 | Release date: | 2006-02-21 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.64 Å) | Cite: | Discovery and optimization of anthranilic acid sulfonamides as inhibitors of methionine aminopeptidase-2: a structural basis for the reduction of albumin binding. J.Med.Chem., 49, 2006
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1ZZQ
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![BU of 1zzq by Molmil](/molmil-images/mine/1zzq) | Rat nNOS D597N mutant with L-N(omega)-Nitroarginine-(4R)-amino-L-proline amide bound | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, D-MANNITOL, ... | Authors: | Li, H, Flinspach, M.L, Igarashi, J, Jamal, J, Yang, W, Gomez-Vidal, J.A, Litzinger, E.A, Silverman, R.B, Poulos, T.L. | Deposit date: | 2005-06-14 | Release date: | 2005-12-06 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Exploring the Binding Conformations of Bulkier Dipeptide Amide Inhibitors in Constitutive Nitric Oxide Synthases. Biochemistry, 44, 2005
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1MMP
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![BU of 1mmp by Molmil](/molmil-images/mine/1mmp) | MATRILYSIN COMPLEXED WITH CARBOXYLATE INHIBITOR | Descriptor: | 5-METHYL-3-(9-OXO-1,8-DIAZA-TRICYCLO[10.6.1.013,18]NONADECA-12(19),13,15,17-TETRAEN-10-YLCARBAMOYL)-HEXANOIC ACID, CALCIUM ION, GELATINASE A, ... | Authors: | Browner, M.F, Smith, W.W, Castelhano, A.L. | Deposit date: | 1995-03-22 | Release date: | 1996-04-03 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Matrilysin-inhibitor complexes: common themes among metalloproteases. Biochemistry, 34, 1995
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1M8I
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![BU of 1m8i by Molmil](/molmil-images/mine/1m8i) | inducible nitric oxide synthase with 5-nitroindazole bound | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, 5-NITROINDAZOLE, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Rosenfeld, R.J, Garcin, E.D, Panda, K, Andersson, G, Aberg, A, Wallace, A.V, Stuehr, D.J, Tainer, J.A, Getzoff, E.D. | Deposit date: | 2002-07-24 | Release date: | 2002-08-07 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Conformational Changes in Nitric Oxide Synthases Induced by Chlorzoxazone and Nitroindazoles: Crystallographic and Computational Analyses of Inhibitor Potency Biochemistry, 41, 2002
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1ZZ5
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![BU of 1zz5 by Molmil](/molmil-images/mine/1zz5) | Molecular Recognition of RNA by Neomycin and a Restricted Neomycin Derivative | Descriptor: | 13,15-DIAMINO-2-(AMINOMETHYL)-3,4,9,12-TETRAHYDROXYHEXADECAHYDRO-2H-7,10-EPOXYPYRANO[2,3-B][1,10,4]BENZODIOXAZACYCLODODECIN-8-YL 2,6-DIAMINO-2,6-DIDEOXYHEXOPYRANOSIDE, 5'-R(*CP*GP*CP*GP*UP*CP*AP*CP*AP*CP*CP*AP*CP*C)-3', 5'-R(*GP*UP*GP*GP*UP*GP*AP*AP*GP*UP*CP*GP*CP*GP*G)-3', ... | Authors: | Zhao, Q, Zhao, F, Blount, K.F, Han, Q, Tor, Y, Hermann, T. | Deposit date: | 2005-06-13 | Release date: | 2005-09-20 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Molecular recognition of RNA by neomycin and a restricted neomycin derivative Angew.Chem.Int.Ed.Engl., 44, 2005
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1M8E
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![BU of 1m8e by Molmil](/molmil-images/mine/1m8e) | inducible nitric oxide synthase with 7-nitroindazole bound | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, 7-NITROINDAZOLE, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Rosenfeld, R.J, Garcin, E.D, Panda, K, Andersson, G, Aberg, A, Wallace, A.V, Stuehr, D.J, Tainer, J.A, Getzoff, E.D. | Deposit date: | 2002-07-24 | Release date: | 2002-08-07 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Conformational Changes in Nitric Oxide Synthases Induced by Chlorzoxazone and Nitroindazoles: Crystallographic and Computational Analyses of Inhibitor Potency Biochemistry, 41, 2002
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2A57
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![BU of 2a57 by Molmil](/molmil-images/mine/2a57) | Structure of 6,7-Dimthyl-8-ribityllumazine synthase from Schizosaccharomyces pombe mutant W27Y with bound ligand 6-carboxyethyl-7-oxo-8-ribityllumazine | Descriptor: | 3-[8-((2S,3S,4R)-2,3,4,5-TETRAHYDROXYPENTYL)-2,4,7-TRIOXO-1,3,8-TRIHYDROPTERIDIN-6-YL]PROPANOIC ACID, 6,7-dimethyl-8-ribityllumazine synthase, PHOSPHATE ION | Authors: | Koch, M, Breithaupt, C, Gerhardt, S, Haase, I, Weber, S, Cushman, M, Huber, R, Bacher, A, Fischer, M. | Deposit date: | 2005-06-30 | Release date: | 2005-07-19 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Structural basis of charge transfer complex formation by riboflavin bound to 6,7-dimethyl-8-ribityllumazine synthase Eur.J.Biochem., 271, 2004
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1DXO
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![BU of 1dxo by Molmil](/molmil-images/mine/1dxo) | Crystal structure of human NAD[P]H-QUINONE oxidoreductase CO with 2,3,5,6,tetramethyl-P-benzoquinone (duroquinone) at 2.5 Angstrom resolution | Descriptor: | DUROQUINONE, FLAVIN-ADENINE DINUCLEOTIDE, QUINONE REDUCTASE | Authors: | Faig, M, Bianchet, M.A, Chen, S, Winski, S, Ross, D, Amzel, L.M. | Deposit date: | 2000-01-12 | Release date: | 2000-04-23 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structures of Recombinant Mouse and Human Nad(P)H:Quinone Oxidoreductases:Species Comparison and Structural Changes with Substrate Binding and Release Proc.Natl.Acad.Sci.USA, 97, 2000
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1ZYT
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![BU of 1zyt by Molmil](/molmil-images/mine/1zyt) | Crystal structure of spin labeled T4 Lysozyme (A82R1) | Descriptor: | 2-HYDROXYETHYL DISULFIDE, AZIDE ION, CHLORIDE ION, ... | Authors: | Fleissner, M.R, Cascio, D, Sawaya, M.R, Hideg, K, Hubbell, W.L. | Deposit date: | 2005-06-10 | Release date: | 2006-08-15 | Last modified: | 2023-10-25 | Method: | EPR (1.7 Å), X-RAY DIFFRACTION | Cite: | Structural origin of weakly ordered nitroxide motion in spin-labeled proteins Protein Sci., 18, 2009
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