1SDA
 
 | | CRYSTAL STRUCTURE OF PEROXYNITRITE-MODIFIED BOVINE CU,ZN SUPEROXIDE DISMUTASE | | Descriptor: | COPPER (II) ION, COPPER,ZINC SUPEROXIDE DISMUTASE, ZINC ION | | Authors: | Smith, C.D, Carson, M, Van Der Woerd, M, Chen, J, Ischiropoulos, H, Beckman, J.S. | | Deposit date: | 1993-01-13 | | Release date: | 1993-10-31 | | Last modified: | 2017-11-29 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal structure of peroxynitrite-modified bovine Cu,Zn superoxide dismutase.
Arch.Biochem.Biophys., 299, 1992
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1D0C
 | | BOVINE ENDOTHELIAL NITRIC OXIDE SYNTHASE HEME DOMAIN COMPLEXED WITH 3-BROMO-7-NITROINDAZOLE (H4B FREE) | | Descriptor: | 3-BROMO-7-NITROINDAZOLE, ACETATE ION, BOVINE ENDOTHELIAL NITRIC OXIDE SYNTHASE HEME DOMAIN, ... | | Authors: | Raman, C.S, Li, H, Martasek, P, Southan, G.J, Masters, B.S.S, Poulos, T.L. | | Deposit date: | 1999-09-09 | | Release date: | 2001-11-21 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Crystal structure of nitric oxide synthase bound to nitro indazole reveals a novel inactivation mechanism.
Biochemistry, 40, 2001
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1F2T
 | | Crystal Structure of ATP-Free RAD50 ABC-ATPase | | Descriptor: | RAD50 ABC-ATPASE | | Authors: | Hopfner, K.P, Karcher, A, Shin, D.S, Craig, L. | | Deposit date: | 2000-05-29 | | Release date: | 2000-08-02 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structural biology of Rad50 ATPase: ATP-driven conformational control in DNA double-strand break repair and the ABC-ATPase superfamily.
Cell(Cambridge,Mass.), 101, 2000
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1B4L
 | | 15 ATMOSPHERE OXYGEN YEAST CU/ZN SUPEROXIDE DISMUTASE ROOM TEMPERATURE (298K) STRUCTURE | | Descriptor: | COPPER (II) ION, PROTEIN (CU/ZN SUPEROXIDE DISMUTASE), ZINC ION | | Authors: | Hart, P.J, Balbirnie, M.M, Ogihara, N.L, Nersissian, A.M, Weiss, M.S, Valentine, J.S, Eisenberg, D. | | Deposit date: | 1998-12-22 | | Release date: | 1999-12-23 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | A structure-based mechanism for copper-zinc superoxide dismutase.
Biochemistry, 38, 1999
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2HQU
 | | Human dUTPase in complex with alpha,beta-iminodUTP and magnesium ion | | Descriptor: | 2'-DEOXYURIDINE 5'-ALPHA,BETA-IMIDO-TRIPHOSPHATE, CHLORIDE ION, Deoxyuridine 5'-triphosphate nucleotidohydrolase, ... | | Authors: | Barabas, O, Varga, B, Vertessy, B.G. | | Deposit date: | 2006-07-19 | | Release date: | 2007-07-24 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Active site closure facilitates juxtaposition of reactant atoms for initiation of catalysis by human dUTPase.
Febs Lett., 581, 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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2ORP
 | | Murine inducible nitric oxide synthase oxygenase domain (delta 114) 2-[4-(2-Imidazol-1-yl-6-methyl-pyrimidin-4-yl)-1-isobutyryl-piperazin-2-yl]-N-[2-(4-methoxy-phenyl)-ethyl]-acetamide complex | | Descriptor: | 2-{(2R)-4-[2-(1H-IMIDAZOL-1-YL)-6-METHYLPYRIMIDIN-4-YL]-1-ISOBUTYRYLPIPERAZIN-2-YL}-N-[2-(4-METHOXYPHENYL)ETHYL]ACETAMIDE, PROTOPORPHYRIN IX CONTAINING FE, nitric oxide synthase, ... | | Authors: | Adler, M, Whitlow, M. | | Deposit date: | 2007-02-04 | | Release date: | 2007-04-10 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.97 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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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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2ORT
 | | Murine Inducible Nitric Oxide Synthase Oxygenase Domain (Delta 114) 1-Benzo[1,3]dioxol-5-ylmethyl-3S-(4-imidazol-1-yl-phenoxy)-piperidine Complex | | Descriptor: | (3S)-1-(1,3-BENZODIOXOL-5-YLMETHYL)-3-[4-(1H-IMIDAZOL-1-YL)PHENOXY]PIPERIDINE, Nitric oxide synthase, inducible, ... | | Authors: | Adler, M, Whitlow, M. | | Deposit date: | 2007-02-04 | | Release date: | 2007-04-17 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.87 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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2ORO
 | | Murine inducible nitric oxide synthase oxygenase domain (delta 114) (r)-1-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-pyrrolidine-2-carboxylic acid (2-benzo[1,3]dioxol-5-yl-ethyl)-amide complex | | Descriptor: | N-[2-(1,3-BENZODIOXOL-5-YL)ETHYL]-1-[2-(1H-IMIDAZOL-1-YL)-6-METHYLPYRIMIDIN-4-YL]-D-PROLINAMIDE, PROTOPORPHYRIN IX CONTAINING FE, SULFITE ION, ... | | Authors: | Adler, M, Whitlow, M. | | Deposit date: | 2007-02-04 | | Release date: | 2007-04-10 | | Last modified: | 2023-08-30 | | 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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3EHW
 | | Human dUTPase in complex with alpha,beta-imido-dUTP and Mg2+: visualization of the full-length C-termini in all monomers and suggestion for an additional metal ion binding site | | Descriptor: | 2'-DEOXYURIDINE 5'-ALPHA,BETA-IMIDO-TRIPHOSPHATE, MAGNESIUM ION, dUTP pyrophosphatase | | Authors: | Takacs, E, Barabas, O, Vertessy, B.G. | | Deposit date: | 2008-09-15 | | Release date: | 2008-09-30 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Human dUTPase in complex with alpha,beta-imido-dUTP and Mg2+: visualization of the full-length C-termini in all monomers and suggestion for an additional metal ion binding site
To be Published
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1SDY
 | | STRUCTURE SOLUTION AND MOLECULAR DYNAMICS REFINEMENT OF THE YEAST CU,ZN ENZYME SUPEROXIDE DISMUTASE | | Descriptor: | COPPER (II) ION, COPPER,ZINC SUPEROXIDE DISMUTASE, ZINC ION | | Authors: | Djinovic, K, Gatti, G, Coda, A, Antolini, L, Pelosi, G, Desideri, A, Falconi, M, Marmocchi, F, Rotilio, G, Bolognesi, M. | | Deposit date: | 1991-06-14 | | Release date: | 1994-01-31 | | Last modified: | 2017-11-29 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structure solution and molecular dynamics refinement of the yeast Cu,Zn enzyme superoxide dismutase.
Acta Crystallogr.,Sect.B, 47, 1991
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1I83
 | | BOVINE ENDOTHELIAL NITRIC OXIDE SYNTHASE HEME DOMAIN COMPLEXED WITH N1,N14-BIS((S-METHYL)ISOTHIOUREIDO)TETRADECANE (H4B FREE) | | Descriptor: | ACETATE ION, GLYCEROL, N1,N14-BIS((S-METHYL)ISOTHIOUREIDO)TETRADECANE, ... | | Authors: | Raman, C.S, Li, H, Martasek, P, Babu, B.R, Griffith, O.W, Masters, B.S.S, Poulos, T.L. | | Deposit date: | 2001-03-12 | | Release date: | 2001-08-08 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Implications for isoform-selective inhibitor design derived from the binding mode of bulky isothioureas to the heme domain of endothelial nitric-oxide synthase.
J.Biol.Chem., 276, 2001
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1LQM
 | | ESCHERICHIA COLI URACIL-DNA GLYCOSYLASE COMPLEX WITH URACIL-DNA GLYCOSYLASE INHIBITOR PROTEIN | | Descriptor: | URACIL-DNA GLYCOSYLASE, URACIL-DNA GLYCOSYLASE INHIBITOR | | Authors: | Saikrishnan, K, Sagar, M.B, Ravishankar, R, Roy, S, Purnapatre, K, Varshney, U, Vijayan, M. | | Deposit date: | 2002-05-10 | | Release date: | 2002-11-10 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Domain closure and action of uracil DNA glycosylase (UDG): structures of new crystal forms containing the Escherichia coli enzyme and a comparative study of the known structures involving UDG.
Acta Crystallogr.,Sect.D, 58, 2002
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1LQG
 | | ESCHERICHIA COLI URACIL-DNA GLYCOSYLASE COMPLEX WITH URACIL-DNA GLYCOSYLASE INHIBITOR PROTEIN | | Descriptor: | URACIL-DNA GLYCOSYLASE, URACIL-DNA GLYCOSYLASE INHIBITOR | | Authors: | Saikrishnan, K, Sagar, M.B, Ravishankar, R, Roy, S, Purnapatre, K, Handa, P, Varshney, U, Vijayan, M. | | Deposit date: | 2002-05-10 | | Release date: | 2002-11-10 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Domain closure and action of uracil DNA glycosylase (UDG): structures of new crystal forms containing the Escherichia coli enzyme and a comparative study of the known structures involving UDG.
Acta Crystallogr.,Sect.D, 58, 2002
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1LQJ
 | | ESCHERICHIA COLI URACIL-DNA GLYCOSYLASE | | Descriptor: | URACIL-DNA GLYCOSYLASE | | Authors: | Saikrishnan, K, Sagar, M.B, Ravishankar, R, Roy, S, Purnapatre, K, Varshney, U, Vijayan, M. | | Deposit date: | 2002-05-10 | | Release date: | 2002-11-10 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (3.35 Å) | | Cite: | Domain closure and action of uracil DNA glycosylase (UDG): structures of new crystal forms containing the Escherichia coli enzyme and a comparative study of the known structures involving UDG.
Acta Crystallogr.,Sect.D, 58, 2002
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1MQ7
 | | CRYSTAL STRUCTURE OF DUTPASE FROM MYCOBACTERIUM TUBERCULOSIS (RV2697C) | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DEOXYURIDINE 5'-TRIPHOSPHATE NUCLEOTIDOHYDROLASE | | Authors: | Sawaya, M.R, Chan, S, Segelke, B.W, Lekin, T, Heike, K, Cho, U.S, Naranjo, C, Perry, L.J, Yeates, T.O, Eisenberg, D, TB Structural Genomics Consortium (TBSGC) | | Deposit date: | 2002-09-13 | | Release date: | 2002-10-09 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Crystal structure of the Mycobacterium tuberculosis dUTPase: insights into the catalytic mechanism.
J.Mol.Biol., 341, 2004
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1D1V
 | | BOVINE ENDOTHELIAL NITRIC OXIDE SYNTHASE HEME DOMAIN COMPLEXED WITH S-ETHYL-N-PHENYL-ISOTHIOUREA (H4B BOUND) | | Descriptor: | 2-ETHYL-1-PHENYL-ISOTHIOUREA, 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: | 1999-09-21 | | Release date: | 2001-07-25 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | Implications for isoform-selective inhibitor design derived from the binding mode of bulky isothioureas to the heme domain of endothelial nitric-oxide synthase.
J.Biol.Chem., 276, 2001
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1D1X
 | | BOVINE ENDOTHELIAL NITRIC OXIDE SYNTHASE HEME DOMAIN COMPLEXED WITH 1,4-PBITU (H4B BOUND) | | Descriptor: | 2-{2-[4-(2-CARBAMIMIDOYLSULFANYL-ETHYL)-PHENYL]-ETHYL}-ISOTHIOUREA, 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: | 1999-09-21 | | Release date: | 2001-07-25 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Implications for isoform-selective inhibitor design derived from the binding mode of bulky isothioureas to the heme domain of endothelial nitric-oxide synthase.
J.Biol.Chem., 276, 2001
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1D1W
 | | BOVINE ENDOTHELIAL NITRIC OXIDE SYNTHASE HEME DOMAIN COMPLEXED WITH 2-AMINOTHIAZOLINE (H4B BOUND) | | Descriptor: | 2-AMINOTHIAZOLINE, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ... | | Authors: | Li, H, Raman, C.S, Martasek, P, Kral, V, Masters, B.S.S, Poulos, T.L. | | Deposit date: | 1999-09-21 | | Release date: | 2000-10-25 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Mapping the active site polarity in structures of endothelial nitric oxide synthase heme domain complexed with isothioureas.
J.Inorg.Biochem., 81, 2000
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1D1Y
 | | BOVINE ENDOTHELIAL NITRIC OXIDE SYNTHASE HEME DOMAIN COMPLEXED WITH 1,3-PBITU (H4B FREE) | | Descriptor: | 1,2-ETHANEDIOL, 2-{2-[3-(2-CARBAMIMIDOYLSULFANYL-ETHYL)-PHENYL]-ETHYL}-ISOTHIOUREA, ACETATE ION, ... | | Authors: | Raman, C.S, Li, H, Martasek, P, Southan, G.J, Masters, B.S.S, Poulos, T.L. | | Deposit date: | 1999-09-21 | | Release date: | 2001-07-25 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Implications for isoform-selective inhibitor design derived from the binding mode of bulky isothioureas to the heme domain of endothelial nitric-oxide synthase.
J.Biol.Chem., 276, 2001
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1DD7
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1BZO
 | | THREE-DIMENSIONAL STRUCTURE OF PROKARYOTIC CU,ZN SUPEROXIDE DISMUTASE FROM P.LEIOGNATHI, SOLVED BY X-RAY CRYSTALLOGRAPHY. | | Descriptor: | COPPER (II) ION, PROTEIN (SUPEROXIDE DISMUTASE), URANYL (VI) ION, ... | | Authors: | Bordo, D, Matak, D, Djinovic-Carugo, K, Rosano, C, Pesce, A, Bolognesi, M, Stroppolo, M.E, Falconi, M, Battistoni, A, Desideri, A. | | Deposit date: | 1998-11-02 | | Release date: | 1999-04-09 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Evolutionary constraints for dimer formation in prokaryotic Cu,Zn superoxide dismutase.
J.Mol.Biol., 285, 1999
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1ED6
 | | BOVINE ENDOTHELIAL NITRIC OXIDE SYNTHASE HEME DOMAIN COMPLEXED WITH L-NIO (H4B FREE) | | Descriptor: | ACETATE ION, CACODYLIC ACID, GLYCEROL, ... | | Authors: | Raman, C.S, Li, H, Martasek, P, Southan, G.J, Masters, B.S.S, Poulos, T.L. | | Deposit date: | 2000-01-26 | | Release date: | 2001-01-31 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Crystallographic studies on endothelial nitric oxide synthase complexed with nitric oxide and mechanism-based inhibitors.
Biochemistry, 40, 2001
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