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1WWJ
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BU of 1wwj by Molmil
crystal structure of KaiB from Synechocystis sp.
Descriptor: Circadian clock protein kaiB, D-MALATE, IMIDAZOLE, ...
Authors:Hitomi, K, Oyama, T, Han, S, Arvai, A.S, Tainer, J.A, Getzoff, E.D.
Deposit date:2005-01-06
Release date:2005-02-15
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Tetrameric architecture of the circadian clock protein KaiB. A novel interface for intermolecular interactions and its impact on the circadian rhythm.
J.Biol.Chem., 280, 2005
1ED4
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BU of 1ed4 by Molmil
BOVINE ENDOTHELIAL NITRIC OXIDE SYNTHASE HEME DOMAIN COMPLEXED WITH IPITU (H4B FREE)
Descriptor: ACETATE ION, CACODYLIC ACID, GLYCEROL, ...
Authors:Raman, C.S, Li, H, Martasek, P, Kral, V, Masters, B.S.S, Poulos, T.L.
Deposit date:2000-01-26
Release date:2000-10-25
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Mapping the active site polarity in structures of endothelial nitric oxide synthase heme domain complexed with isothioureas.
J.Inorg.Biochem., 81, 2000
1ED5
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BU of 1ed5 by Molmil
BOVINE ENDOTHELIAL NITRIC OXIDE SYNTHASE HEME DOMAIN COMPLEXED WITH NNA(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:2023-11-15
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of nitric oxide synthase bound to nitro indazole reveals a novel inactivation mechanism.
Biochemistry, 40, 2001
2ORO
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BU of 2oro by Molmil
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
1BZO
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BU of 1bzo by Molmil
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
2ORS
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BU of 2ors by Molmil
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
2ORQ
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BU of 2orq by Molmil
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
2ORP
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BU of 2orp by Molmil
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
2ORT
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BU of 2ort by Molmil
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
2ORR
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BU of 2orr by Molmil
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
1D1X
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BU of 1d1x by Molmil
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
1D1V
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BU of 1d1v by Molmil
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
1D1W
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BU of 1d1w by Molmil
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
3EHW
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BU of 3ehw by Molmil
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
1SDA
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BU of 1sda by Molmil
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
2HQU
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BU of 2hqu by Molmil
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
1FOJ
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BU of 1foj by Molmil
BOVINE ENDOTHELIAL NITRIC OXIDE SYNTHASE HEME DOMAIN COMPLEXED WITH 7-NITROINDAZOLE-2-CARBOXAMIDINE (H4B PRESENT)
Descriptor: 7-NITROINDAZOLE, 7-NITROINDAZOLE-2-CARBOXAMIDINE, ACETATE ION, ...
Authors:Raman, C.S, Li, H, Martasek, P, Masters, B.S, Poulos, T.L.
Deposit date:2000-08-28
Release date:2001-11-16
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of nitric oxide synthase bound to nitro indazole reveals a novel inactivation mechanism
Biochemistry, 40, 2001
1FOO
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BU of 1foo by Molmil
BOVINE ENDOTHELIAL NITRIC OXIDE SYNTHASE HEME DOMAIN COMPLEXED WITH L-ARG AND NO(H4B-FREE)
Descriptor: ACETATE ION, ARGININE, CACODYLATE ION, ...
Authors:Raman, C.S, Li, H, Martasek, P, Masters, B.S.S, Poulos, T.L.
Deposit date:2000-08-28
Release date:2001-07-20
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystallographic studies on endothelial nitric oxide synthase complexed with nitric oxide and mechanism-based inhibitors.
Biochemistry, 40, 2001
1I83
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BU of 1i83 by Molmil
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
1FOL
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BU of 1fol by Molmil
REDUCED BOVINE ENDOTHELIAL NITRIC OXIDE SYNTHASE HEME DOMAIN COMPLEXED WITH L-ARG(H4B-FREE)
Descriptor: ACETATE ION, ARGININE, CACODYLATE ION, ...
Authors:Raman, C.S, Li, H, Martasek, P, Masters, B.S, Poulos, T.L.
Deposit date:2000-08-28
Release date:2001-07-20
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystallographic studies on endothelial nitric oxide synthase complexed with nitric oxide and mechanism-based inhibitors
Biochemistry, 40, 2001
1FOI
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BU of 1foi by Molmil
BOVINE ENDOTHELIAL NITRIC OXIDE SYNTHASE HEME DOMAIN COMPLEXED WITH 1400W(H4B-FREE)
Descriptor: ACETATE ION, CACODYLATE ION, GLYCEROL, ...
Authors:Raman, C.S, Li, H, Martasek, P, Masters, B.S.S, Poulos, T.L.
Deposit date:2000-08-28
Release date:2001-07-20
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Crystallographic studies on endothelial nitric oxide synthase complexed with nitric oxide and mechanism-based inhibitors.
Biochemistry, 40, 2001
1FOP
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BU of 1fop by Molmil
BOVINE ENDOTHELIAL NITRIC OXIDE SYNTHASE HEME DOMAIN COMPLEXED WITH L-ARG AND NO(H4B-BOUND)
Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ARGININE, ...
Authors:Raman, C.S, Li, H, Martasek, P, Masters, B.S.S, Poulos, T.L.
Deposit date:2000-08-28
Release date:2001-07-20
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystallographic studies on endothelial nitric oxide synthase complexed with nitric oxide and mechanism-based inhibitors.
Biochemistry, 40, 2001
1LQJ
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BU of 1lqj by Molmil
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
1LQG
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BU of 1lqg by Molmil
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
1MQ7
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BU of 1mq7 by Molmil
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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