3E7G
 
 | | Structure of human INOSOX with inhibitor AR-C95791 | | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, ETHYL 4-[(4-METHYLPYRIDIN-2-YL)AMINO]PIPERIDINE-1-CARBOXYLATE, Nitric oxide synthase, ... | | Authors: | Garcin, E.D, Arvai, A.S, Rosenfeld, R.J, Kroeger, M.D, Crane, B.R, Andersson, G, Andrews, G, Hamley, P.J, Mallinder, P.R, Nicholls, D.J, St-Gallay, S.A, Tinker, A.C, Gensmantel, N.P, Mete, A, Cheshire, D.R, Connolly, S, Stueh, D.J, Aberg, A, Wallace, A.V, Tainer, J.A, Getzoff, E.D. | | Deposit date: | 2008-08-18 | | Release date: | 2008-10-07 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Anchored plasticity opens doors for selective inhibitor design in nitric oxide synthase.
Nat.Chem.Biol., 4, 2008
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2FWQ
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3DSC
 | | Crystal structure of P. furiosus Mre11 DNA synaptic complex | | Descriptor: | DNA (5'-D(P*DCP*DAP*DCP*DAP*DAP*DGP*DCP*DTP*DTP*DTP*DTP*DGP*DCP*DTP*DTP*DGP*DTP*DGP*DAP*DC)-3'), DNA double-strand break repair protein mre11 | | Authors: | Williams, R.S, Moncalian, G, Shin, D.S, Tainer, J.A. | | Deposit date: | 2008-07-11 | | Release date: | 2008-10-14 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Mre11 dimers coordinate DNA end bridging and nuclease processing in double-strand-break repair.
Cell(Cambridge,Mass.), 135, 2008
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2IUW
 | | Crystal structure of human ABH3 in complex with iron ion and 2- oxoglutarate | | Descriptor: | 2-OXOGLUTARIC ACID, ALKYLATED REPAIR PROTEIN ALKB HOMOLOG 3, BETA-MERCAPTOETHANOL, ... | | Authors: | Sundheim, O, Vagbo, C.B, Bjoras, M, deSousa, M.M.L, Talstad, V, Aas, P.A, Drablos, F, Krokan, H.E, Tainer, J.A, Slupphaug, G. | | Deposit date: | 2006-06-07 | | Release date: | 2006-07-26 | | Last modified: | 2019-05-22 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Human Abh3 Structure and Key Residues for Oxidative Demethylation to Reverse DNA/RNA Damage.
Embo J., 25, 2006
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1NOD
 | | MURINE INDUCIBLE NITRIC OXIDE SYNTHASE OXYGENASE DIMER (DELTA 65) WITH TETRAHYDROBIOPTERIN AND SUBSTRATE L-ARGININE | | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, ARGININE, NITRIC OXIDE SYNTHASE, ... | | Authors: | Crane, B.R, Arvai, A.S, Getzoff, E.D, Stuehr, D.J, Tainer, J.A. | | Deposit date: | 1998-03-05 | | Release date: | 1999-03-23 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structure of nitric oxide synthase oxygenase dimer with pterin and substrate.
Science, 279, 1998
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2G4C
 | | Crystal Structure of human DNA polymerase gamma accessory subunit | | Descriptor: | DNA polymerase gamma subunit 2 | | Authors: | Fan, L, Farr, C.L, Kaguni, L.S, Tainer, J.A. | | Deposit date: | 2006-02-22 | | Release date: | 2006-04-18 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (3.15 Å) | | Cite: | A novel processive mechanism for DNA synthesis revealed by structure, modeling and mutagenesis of the accessory subunit of human mitochondrial DNA polymerase
J.Mol.Biol., 358, 2006
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1M9J
 | | human endothelial nitric oxide synthase with chlorzoxazone bound | | Descriptor: | CHLORZOXAZONE, PROTOPORPHYRIN IX CONTAINING FE, ZINC ION, ... | | 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: | 2002-07-29 | | Release date: | 2002-08-14 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.43 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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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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1M9M
 | | human endothelial nitric oxide synthase with 6-nitroindazole bound | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 6-NITROINDAZOLE, ISOPROPYL ALCOHOL, ... | | 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: | 2002-07-29 | | Release date: | 2002-08-07 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.96 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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3CRV
 | | XPD_Helicase | | Descriptor: | CITRATE ANION, GLYCEROL, IRON/SULFUR CLUSTER, ... | | Authors: | Fan, L, Arvai, A.S, Tainer, J.A. | | Deposit date: | 2008-04-07 | | Release date: | 2008-06-10 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | XPD helicase structures and activities: insights into the cancer and aging phenotypes from XPD mutations.
Cell(Cambridge,Mass.), 133, 2008
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2G5Z
 | | Structure of S65G Y66S GFP variant after spontaneous peptide hydrolysis and decarboxylation | | Descriptor: | Green fluorescent protein, MAGNESIUM ION | | Authors: | Barondeau, D.P, Kassmann, C.J, Tainer, J.A, Getzoff, E.D. | | Deposit date: | 2006-02-23 | | Release date: | 2006-04-18 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Understanding GFP Posttranslational Chemistry: Structures of Designed Variants that Achieve Backbone Fragmentation, Hydrolysis, and Decarboxylation.
J.Am.Chem.Soc., 128, 2006
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2FZL
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2FWR
 | | Structure of Archaeoglobus Fulgidis XPB | | Descriptor: | DNA repair protein RAD25, ISOPROPYL ALCOHOL, PHOSPHATE ION | | Authors: | Fan, L, Arvai, A.S, Tainer, J.A. | | Deposit date: | 2006-02-02 | | Release date: | 2006-04-18 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Conserved XPB Core Structure and Motifs for DNA Unwinding: Implications for Pathway Selection of Transcription or Excision Repair
Mol.Cell, 22, 2006
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2FZU
 | | Reduced enolate chromophore intermediate for GFP variant | | Descriptor: | 1,2-ETHANEDIOL, Green fluorescent protein, MAGNESIUM ION | | Authors: | Barondeau, D.P, Tainer, J.A, Getzoff, E.D. | | Deposit date: | 2006-02-10 | | Release date: | 2006-03-14 | | Last modified: | 2024-07-10 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | Structural evidence for an enolate intermediate in GFP fluorophore biosynthesis.
J.Am.Chem.Soc., 128, 2006
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3E7I
 | | Structure of murine inos oxygenase domain with inhibitor AR-C94864 | | Descriptor: | (2R)-5-FLUORO-2-(2-THIENYL)-1,2-DIHYDROQUINAZOLIN-4-AMINE, 5,6,7,8-TETRAHYDROBIOPTERIN, Nitric oxide synthase, ... | | Authors: | Garcin, E.D, Arvai, A.S, Rosenfeld, R.J, Kroeger, M.D, Crane, B.R, Andersson, G, Andrews, G, Hamley, P.J, Mallinder, P.R, Nicholls, D.J, St-Gallay, S.A, Tinker, A.C, Gensmantel, N.P, Mete, A, Cheshire, D.R, Connolly, S, Stuehr, D.J, Aberg, A, Wallace, A.V, Tainer, J.A, Getzoff, E.D. | | Deposit date: | 2008-08-18 | | Release date: | 2008-10-07 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Anchored plasticity opens doors for selective inhibitor design in nitric oxide synthase.
Nat.Chem.Biol., 4, 2008
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3E7T
 | | Structure of murine iNOS oxygenase domain with inhibitor AR-C102222 | | Descriptor: | 1-(6-CYANO-3-PYRIDYLCARBONYL)-5',8'-DIFLUOROSPIRO[PIPERIDINE-4,2'(1'H)-QUINAZOLINE]-4'-AMINE, 7,8-DIHYDROBIOPTERIN, Nitric oxide synthase, ... | | Authors: | Garcin, E.D, Arvai, A.S, Rosenfeld, R.J, Kroeger, M.D, Crane, B.R, Andersson, G, Andrews, G, Hamley, P.J, Mallinder, P.R, Nicholls, D.J, St-Gallay, S.A, Tinker, A.C, Gensmantel, N.P, Mete, A, Cheshire, D.R, Connolly, S, Stuehr, D.J, Aberg, A, Wallace, A.V, Tainer, J.A, Getzoff, E.D. | | Deposit date: | 2008-08-18 | | Release date: | 2008-10-07 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Anchored plasticity opens doors for selective inhibitor design in nitric oxide synthase.
Nat.Chem.Biol., 4, 2008
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3E6L
 | | Structure of murine INOS oxygenase domain with inhibitor AR-C132283 | | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, ETHYL 4-[(4-CHLOROPYRIDIN-2-YL)AMINO]PIPERIDINE-1-CARBOXYLATE, Nitric oxide synthase, ... | | Authors: | Garcin, E.D, Arvai, A.S, Rosenfeld, R.J, Kroeger, M.D, Crane, B.R, Andersson, G, Andrews, G, Hamley, P.J, Mallinder, P.R, Nicholls, D.J, St-Gallay, S.A, Tinker, A.C, Gensmantel, N.P, Mete, A, Cheshire, D.R, Connolly, S, Stueh, D.J, Aberg, A, Wallace, A.V, Tainer, J.A, Getzoff, E.D. | | Deposit date: | 2008-08-15 | | Release date: | 2008-10-07 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Anchored plasticity opens doors for selective inhibitor design in nitric oxide synthase.
Nat.Chem.Biol., 4, 2008
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2HCG
 | | Structure of S65T Y66F GFP variant after cyclization, carbon-carbon bond cleavage, and oxygen incorporation reactions | | Descriptor: | Green fluorescent protein, MAGNESIUM ION | | Authors: | Barondeau, D.P, Kassmann, C.J, Tainer, J.A, Getzoff, E.D. | | Deposit date: | 2006-06-16 | | Release date: | 2007-03-27 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | The Case of the Missing Ring: Radical Cleavage of a Carbon-Carbon Bond and Implications for GFP Chromophore Biosynthesis
J.Am.Chem.Soc., 129, 2007
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2HI2
 | | Crystal structure of native Neisseria gonorrhoeae Type IV pilin at 2.3 Angstroms Resolution | | Descriptor: | Fimbrial protein, HEPTANE-1,2,3-TRIOL, PHOSPHORIC ACID MONO-(2-AMINO-ETHYL) ESTER, ... | | Authors: | Craig, L, Arvai, A.S, Tainer, J.A. | | Deposit date: | 2006-06-28 | | Release date: | 2006-09-12 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Type IV Pilus Structure by Cryo-Electron Microscopy and Crystallography: Implications for Pilus Assembly and Functions.
Mol.Cell, 23, 2006
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3ENM
 | | The structure of the MAP2K MEK6 reveals an autoinhibitory dimer | | Descriptor: | 1,2-ETHANEDIOL, Dual specificity mitogen-activated protein kinase kinase 6, GLYCEROL, ... | | Authors: | Min, X, Akella, R, He, H, Humphreys, J.M, Tsutakawa, S, Lee, S.-J, Tainer, J.A, Cobb, M.H, Goldsmith, E.J. | | Deposit date: | 2008-09-25 | | Release date: | 2009-03-03 | | Last modified: | 2021-10-20 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | The structure of the MAP2K MEK6 reveals an autoinhibitory dimer
Structure, 17, 2009
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2HRS
 | | Crystal structure of L42H V224H design intermediate for GFP metal ion reporter | | Descriptor: | 1,2-ETHANEDIOL, Green fluorescent protein, MAGNESIUM ION | | Authors: | Barondeau, D.P, Tubbs, J.L, Tainer, J.A, Getzoff, E.D. | | Deposit date: | 2006-07-20 | | Release date: | 2008-04-08 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Iterative Structure-Based Design of a Green Fluorescent Protein Metal Ion Reporter
To be Published
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1M8D
 | | inducible nitric oxide synthase with Chlorzoxazone bound | | Descriptor: | 1,2-ETHANEDIOL, 5,6,7,8-TETRAHYDROBIOPTERIN, CHLORZOXAZONE, ... | | 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: | 2002-08-14 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.35 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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1M9T
 | | Inducible Nitric Oxide Synthase with 3-Bromo-7-Nitroindazole bound | | Descriptor: | 1,2-ETHANEDIOL, 3-BROMO-7-NITROINDAZOLE, 5,6,7,8-TETRAHYDROBIOPTERIN, ... | | 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: | 2002-09-05 | | Release date: | 2002-09-11 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.4 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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3DSD
 | | Crystal structure of P. furiosus Mre11-H85S bound to a branched DNA and manganese | | Descriptor: | DNA (5'-D(*DCP*DGP*DCP*DGP*DCP*DAP*DCP*DAP*DAP*DGP*DCP*DTP*DTP*DTP*DTP*DGP*DCP*DTP*DTP*DGP*DTP*DGP*DGP*DAP*DTP*DA)-3'), DNA double-strand break repair protein mre11, MANGANESE (II) ION | | Authors: | Williams, R.S, Moiani, D, Tainer, J.A. | | Deposit date: | 2008-07-11 | | Release date: | 2008-10-14 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Mre11 dimers coordinate DNA end bridging and nuclease processing in double-strand-break repair.
Cell(Cambridge,Mass.), 135, 2008
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3EBF
 | | Structure of inhibited murine iNOS oxygenase domain | | Descriptor: | (3R)-3-[(1,2,3,4-tetrahydroisoquinolin-7-yloxy)methyl]-2,3-dihydrothieno[2,3-f][1,4]oxazepin-5-amine, 5,6,7,8-TETRAHYDROBIOPTERIN, Nitric oxide synthase, ... | | Authors: | Garcin, E.D, Arvai, A.S, Rosenfeld, R.J, Kroeger, M.D, Crane, B.R, Andersson, G, Andrews, G, Hamley, P.J, Mallinder, P.R, Nicholls, D.J, St-Gallay, S.A, Tinker, A.C, Gensmantel, N.P, Mete, A, Cheshire, D.R, Connolly, S, Stuehr, D.J, Aberg, A, Wallace, A.V, Tainer, J.A, Getzoff, E.D. | | Deposit date: | 2008-08-27 | | Release date: | 2008-10-07 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.29 Å) | | Cite: | Anchored plasticity opens doors for selective inhibitor design in nitric oxide synthase.
Nat.Chem.Biol., 4, 2008
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