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3UWM
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BU of 3uwm by Molmil
Ec_IspH in complex with 4-oxobutyl diphosphate (1302)
分子名称: (3E)-4-hydroxybut-3-en-1-yl trihydrogen diphosphate, 4-hydroxy-3-methylbut-2-enyl diphosphate reductase, 4-oxobutyl trihydrogen diphosphate, ...
著者Span, I, Wang, K, Wang, W, Zhang, Y, Bacher, A, Eisenreich, W, Schulz, C, Oldfield, E, Groll, M.
登録日2011-12-02
公開日2012-09-05
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Discovery of acetylene hydratase activity of the iron-sulphur protein IspH.
Nat Commun, 3, 2012
1TP6
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BU of 1tp6 by Molmil
1.5 A Crystal Structure of a NTF-2 Like Protein of Unknown Function PA1314 from Pseudomonas aeruginosa
分子名称: hypothetical protein PA1314
著者Zhang, R, Xu, L.X, savchenko, A, Edwards, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
登録日2004-06-15
公開日2004-08-03
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献1.5A crystal structure of a hypothetical protein PA1314 from Pseudomonas aeruginosa
To be Published
4HIL
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BU of 4hil by Molmil
1.25A Resolution Structure of Rat Type B Cytochrome b5
分子名称: Cytochrome b5 type B, PROTOPORPHYRIN IX CONTAINING FE, SODIUM ION
著者Lovell, S, Battaile, K.P, Parthasarathy, S, Sun, N, Terzyan, S, Zhang, X, Rivera, M, Kuczera, K, Benson, D.R.
登録日2012-10-11
公開日2013-10-16
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献1.25A Resolution Structure of Rat Type B Cytochrome b5
To be Published
4EJ6
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BU of 4ej6 by Molmil
Crystal structure of a putative zinc-binding dehydrogenase (Target PSI-012003) from Sinorhizobium meliloti 1021
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Putative zinc-binding dehydrogenase, ...
著者Sampathkumar, P, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC)
登録日2012-04-06
公開日2012-05-02
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Crystal structure of a putative zinc-binding dehydrogenase from Sinorhizobium meliloti 1021
To be Published
1N1E
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BU of 1n1e by Molmil
Crystal structure of Leishmania mexicana Glycerol-3-phosphate dehydrogenase complexed with DHAP and NAD
分子名称: ADENOSINE 5'-(TRIHYDROGEN DIPHOSPHATE) P'-5'-ESTER WITH 3-(AMINOCARBONYL)-4-(1-HYDROXYL-2-OXO-3-PHOSPHONOOXY-PROPYL)-1-BETA-D-RIBOFURANOSYLPYRIDINIUM INNER SALT, glycerol-3-phosphate dehydrogenase
著者Choe, J, Hol, W.G.J.
登録日2002-10-17
公開日2003-05-27
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Leishmania mexicana Glycerol-3-phosphate Dehydrogenase Showed Conformational Changes Upon Binding a Bi-substrate Adduct
J.Mol.Biol., 320, 2003
1E61
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BU of 1e61 by Molmil
OXIDIZED DMSO REDUCTASE EXPOSED TO HEPES - Structure II BUFFER
分子名称: 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE, Dimethyl sulfoxide/trimethylamine N-oxide reductase, MOLYBDENUM (IV)OXIDE, ...
著者Bailey, S, Bennett, B, Adams, B, Smith, A.T, Bray, R.C.
登録日2000-08-06
公開日2000-08-25
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Reversible Dissociation of Thiolate Ligands from Molybdenum in an Enzyme of the Dimethyl Sulfoxide Reductase Family
Biochemistry, 39, 2000
4EDP
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BU of 4edp by Molmil
1.85 Angstrom resolution crystal structure of an ABC transporter from Clostridium perfringens ATCC 13124
分子名称: ABC transporter, substrate-binding protein, ACETATE ION, ...
著者Halavaty, A.S, Wawrzak, Z, Onopriyenko, O, Peterson, S.N, Anderson, W.F, Savchenko, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2012-03-27
公開日2012-04-11
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献1.85 Angstrom resolution crystal structure of an ABC transporter from Clostridium perfringens ATCC 13124
To be Published
3N80
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BU of 3n80 by Molmil
Human mitochondrial aldehyde dehydrogenase, apo form
分子名称: 1,2-ETHANEDIOL, Aldehyde dehydrogenase, mitochondrial, ...
著者Gonzalez-Segura, L, Hurley, T.D.
登録日2010-05-27
公開日2011-04-13
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Conformational Selection During Catalysis: The role of Threonine 244 in ALDH2
To be published
3UXJ
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BU of 3uxj by Molmil
Crystal Structure of 7-cyano-7-deazaguanine reductase, QueF from Vibrio cholerae complexed with NADP and PreQ0
分子名称: 1,2-ETHANEDIOL, 7-DEAZA-7-AMINOMETHYL-GUANINE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Kim, Y, Zhang, R, Gu, M, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2011-12-05
公開日2012-01-04
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.401 Å)
主引用文献Crystal Structure of 7-cyano-7-deazaguanine reductase, QueF from Vibrio cholerae complexed with NADP and PreQ0
To be Published, 2012
3PWK
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BU of 3pwk by Molmil
Crystal Structure of Aspartate beta-Semialdehide Dehydrogenase from Streptococcus pneumoniae with 2',5'-Adenosine diphosphate and D-2-aminoadipate
分子名称: 1,2-ETHANEDIOL, 5'-O-MONOPHOSPHORYLADENYLYL(2'->5')ADENYLYL(2'->5')ADENOSINE, Aspartate-semialdehyde dehydrogenase, ...
著者Pavlovsky, A.G, Viola, R.E.
登録日2010-12-08
公開日2012-01-04
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structural Characterization of Inhibitors with Selectivity against Members of a Homologous Enzyme Family.
Chem.Biol.Drug Des., 79, 2012
4CQB
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BU of 4cqb by Molmil
The reaction mechanism of the N-isopropylammelide isopropylaminohydrolase AtzC: insights from structural and mutagenesis studies
分子名称: CHLORIDE ION, DIMETHYL SULFOXIDE, MALONATE ION, ...
著者Balotra, S, Newman, J, French, N.G, Peat, T.S, Scott, C.
登録日2014-02-13
公開日2015-03-04
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献X-Ray Structure and Mutagenesis Studies of the N-Isopropylammelide Isopropylaminohydrolase, Atzc
Plos One, 1, 2015
5SCY
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BU of 5scy by Molmil
Crystal Structure of Dihydrofolate Reductase from Mycobacterium tuberculosis bound to NADP and SDDC Inhibitor SDDC-1198
分子名称: 1,2-ETHANEDIOL, 1-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)piperidine-4-carboxylic acid, Dihydrofolate reductase, ...
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2021-12-20
公開日2022-02-09
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Crystal Structure of Dihydrofolate Reductase from Mycobacterium tuberculosis bound to NADP and SDDC Inhibitor SDDC-1198
to be published
5SD5
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BU of 5sd5 by Molmil
Crystal Structure of Dihydrofolate Reductase from Mycobacterium tuberculosis bound to NADP and SDDC Inhibitor SDDC-1230
分子名称: 1,2-ETHANEDIOL, 1-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}-4-methylphenyl)azetidine-3-carboxylic acid, Dihydrofolate reductase, ...
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2021-12-20
公開日2022-02-09
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Crystal Structure of Dihydrofolate Reductase from Mycobacterium tuberculosis bound to NADP and SDDC Inhibitor SDDC-1230
to be published
5SD4
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BU of 5sd4 by Molmil
Crystal Structure of Dihydrofolate Reductase from Mycobacterium tuberculosis bound to NADP and SDDC Inhibitor SDDC-1218
分子名称: 1,2-ETHANEDIOL, 3-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}pyridin-3-yl)prop-2-yn-1-ol, CHLORIDE ION, ...
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2021-12-20
公開日2022-02-09
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Crystal Structure of Dihydrofolate Reductase from Mycobacterium tuberculosis bound to NADP and SDDC Inhibitor SDDC-1218
to be published
3JD4
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BU of 3jd4 by Molmil
Glutamate dehydrogenase in complex with NADH and GTP, closed conformation
分子名称: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, GUANOSINE-5'-TRIPHOSPHATE, Glutamate dehydrogenase 1, ...
著者Borgnia, M.J, Banerjee, S, Merk, A, Matthies, D, Bartesaghi, A, Rao, P, Pierson, J, Earl, L.A, Falconieri, V, Subramaniam, S, Milne, J.L.S.
登録日2016-03-28
公開日2016-04-27
最終更新日2025-06-11
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Using Cryo-EM to Map Small Ligands on Dynamic Metabolic Enzymes: Studies with Glutamate Dehydrogenase.
Mol.Pharmacol., 89, 2016
3AT3
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BU of 3at3 by Molmil
Crystal structure of CK2alpha with pyradine derivative
分子名称: (1-{6-[6-(cyclopentylamino)-1H-indazol-1-yl]pyrazin-2-yl}-1H-pyrrol-3-yl)acetic acid, Casein kinase II subunit alpha
著者Kinoshita, T.
登録日2010-12-23
公開日2011-11-09
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献A detailed thermodynamic profile of cyclopentyl and isopropyl derivatives binding to CK2 kinase
Mol.Cell.Biochem., 356, 2011
3R18
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BU of 3r18 by Molmil
Chicken sulfite oxidase double mutant with altered activity and substrate affinity
分子名称: 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, Sulfite oxidase
著者Qiu, J.A, Wilson, H.L, Rajagopalan, K.V.
登録日2011-03-09
公開日2012-02-08
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structure-based alteration of substrate specificity and catalytic activity of sulfite oxidase from sulfite oxidation to nitrate reduction.
Biochemistry, 51, 2012
2A4G
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BU of 2a4g by Molmil
Hepatitis C Protease NS3-4A serine protease with Ketoamide Inhibitor SCH225724 Bound
分子名称: ({1-[1-CARBAMOYL-PHENYL-METHYL)-CARBAMOYL]-METHYL}-AMINOOXALYL)-BUTYLCARBAMOYL)-3-METHYL-BUTYLCARBAMOYL)-CYCLOHEXYL-METHYL)-CARBAMIC ACID ISOBUTYL ESTER, NS3 protease/helicase, NS4a peptide, ...
著者Arasappan, A, Njoroge, F.G, Chan, T.Y, Bennett, F, Bogen, S.L, Chen, K, Gu, H, Hong, L, Jao, E, Liu, Y.T, Lovey, R.G, Parekh, T, Pike, R.E, Pinto, P, Santhanam, B, Venkatraman, S, Vaccaro, H, Wang, H, Yang, X, Zhu, Z, Mckittrick, B, Saksena, A.K, Girijavallabhan, V, Pichardo, J, Butkiewicz, N, Ingram, R, Malcolm, B, Prongay, A.J, Yao, N, Marten, B, Madison, V, Kemp, S, Levy, O, Lim-Wilby, M, Tamura, S, Ganguly, A.K.
登録日2005-06-28
公開日2006-07-04
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Hepatitis C virus NS3-4a serine protease inhibitors. SAR of P2' moiety with improved potency.
Bioorg.Med.Chem.Lett., 15, 2005
3UV7
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BU of 3uv7 by Molmil
Ec_IspH in complex with buta-2,3-dienyl diphosphate (1300)
分子名称: 4-hydroxy-3-methylbut-2-enyl diphosphate reductase, IRON/SULFUR CLUSTER, buta-2,3-dien-1-yl trihydrogen diphosphate
著者Span, I, Wang, K, Wang, W, Zhang, Y, Bacher, A, Eisenreich, W, Schulz, C, Oldfield, E, Groll, M.
登録日2011-11-29
公開日2012-09-05
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Discovery of acetylene hydratase activity of the iron-sulphur protein IspH.
Nat Commun, 3, 2012
3R9U
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BU of 3r9u by Molmil
Thioredoxin-disulfide reductase from Campylobacter jejuni.
分子名称: 1,2-ETHANEDIOL, FLAVIN-ADENINE DINUCLEOTIDE, Thioredoxin reductase
著者Osipiuk, J, Zhou, M, Kwon, K, Anderson, K.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2011-03-25
公開日2011-04-06
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.36 Å)
主引用文献Thioredoxin-disulfide reductase from Campylobacter jejuni.
To be Published
3R19
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Chicken sulfite oxidase triple mutant with altered activity and substrate affinity
分子名称: 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, Sulfite oxidase
著者Qiu, J.A.
登録日2011-03-09
公開日2012-02-08
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure-based alteration of substrate specificity and catalytic activity of sulfite oxidase from sulfite oxidation to nitrate reduction.
Biochemistry, 51, 2012
4K9J
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BU of 4k9j by Molmil
Structure of Re(CO)3(4,7-dimethyl-phen)(Thr126His)(Lys122Trp)(His83Glu)(Trp48Phe)(Tyr72Phe)(Tyr108Phe)AzCu(II), a Rhenium modified Azurin mutant
分子名称: (1,10 PHENANTHROLINE)-(TRI-CARBON MONOXIDE) RHENIUM (I), Azurin, COPPER (II) ION
著者Takematsu, K, Williamson, H.R, Blanco-Rodriguez, A.M, Sokolova, L, Nikolovski, P, Kaiser, J.T, Towrie, M, Clark, I.P, Vlcek Jr, A, Winkler, J.R, Gray, H.B.
登録日2013-04-20
公開日2013-10-02
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Tryptophan-accelerated electron flow across a protein-protein interface.
J.Am.Chem.Soc., 135, 2013
2EUQ
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BU of 2euq by Molmil
Cytochrome c peroxydase (CCP) in complex with 3-thienylmethylamine
分子名称: 1-THIEN-3-YLMETHANAMINE, PROTOPORPHYRIN IX CONTAINING FE, cytochrome c peroxidase
著者Brenk, R, Vetter, S.W, Boyce, S.E, Goodin, D.B, Shoichet, B.K.
登録日2005-10-29
公開日2006-04-11
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Probing molecular docking in a charged model binding site.
J.Mol.Biol., 357, 2006
3EXB
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BU of 3exb by Molmil
Crystal structure of Cytochrome C Peroxidase with a Proposed Electron Pathway Excised in a Complex with a Peptide Wire
分子名称: Cytochrome c peroxidase, N-[3-(1H-BENZIMIDAZOL-1-YL)PROPANOYL]GLYCYL-L-ALANYL-L-ALANINAMIDE, PROTOPORPHYRIN IX CONTAINING FE
著者Putnam, A.-M.A, Lee, Y.-T, Goodin, D.B.
登録日2008-10-16
公開日2009-01-13
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Replacement of an electron transfer pathway in cytochrome c peroxidase with a surrogate peptide
Biochemistry, 48, 2009
1SEP
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BU of 1sep by Molmil
MOUSE SEPIAPTERIN REDUCTASE COMPLEXED WITH NADP AND SEPIAPTERIN
分子名称: BIOPTERIN, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, SEPIAPTERIN REDUCTASE
著者Auerbach, G, Herrmann, A, Guetlich, M, Fischer, M, Jacob, U, Bacher, A, Huber, R.
登録日1997-05-23
公開日1999-01-13
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献The 1.25 A crystal structure of sepiapterin reductase reveals its binding mode to pterins and brain neurotransmitters.
EMBO J., 16, 1997

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