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3NFR
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BU of 3nfr by Molmil
Casimiroin analog inhibitor of quinone reductase 2
分子名称: 6,8-dimethoxy-1,4-dimethylquinolin-2(1H)-one, FLAVIN-ADENINE DINUCLEOTIDE, Ribosyldihydronicotinamide dehydrogenase [quinone], ...
著者Sturdy, M, Mesecar, A.D, Jermihov, K, Cushman, M, Maiti, A.
登録日2010-06-10
公開日2012-01-11
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.57 Å)
主引用文献X-ray Crystallographic Structure Activity Relationship (SAR) of Casimiroin and its Analogs Bound to Human Quinone Reductase 2
To be Published
6L8H
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BU of 6l8h by Molmil
Crystal structure of CYP97C1
分子名称: Carotene epsilon-monooxygenase, chloroplastic, GLYCEROL, ...
著者Niu, G, Guo, Q, Liu, L.
登録日2019-11-06
公開日2020-06-10
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural basis for plant lutein biosynthesis from alpha-carotene.
Proc.Natl.Acad.Sci.USA, 117, 2020
3FWY
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BU of 3fwy by Molmil
Crystal structure of the L protein of Rhodobacter sphaeroides light-independent protochlorophyllide reductase (BchL) with MgADP bound: a homologue of the nitrogenase Fe protein
分子名称: ADENOSINE-5'-DIPHOSPHATE, IRON/SULFUR CLUSTER, Light-independent protochlorophyllide reductase iron-sulfur ATP-binding protein, ...
著者Sarma, R, Barney, B.M, Hamilton, T.L, Jones, A, Seefeldt, L.C, Peters, J.W.
登録日2009-01-19
公開日2009-03-24
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Crystal Structure of the L Protein of Rhodobacter sphaeroides Light-Independent Protochlorophyllide Reductase with MgADP Bound: A Homologue of the Nitrogenase Fe Protein.
Biochemistry, 47, 2008
3FW1
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BU of 3fw1 by Molmil
Quinone Reductase 2
分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Winger, J.A, Hantschel, O, Superti-Furga, G, Kuriyan, J.
登録日2009-01-16
公開日2009-03-10
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献The structure of the leukemia drug imatinib bound to human quinone reductase 2 (NQO2).
Bmc Struct.Biol., 9, 2009
3NC5
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BU of 3nc5 by Molmil
CYP134A1 structure with an open substrate binding loop
分子名称: Cytochrome P450 cypX, GLYCEROL, MAGNESIUM ION, ...
著者Cryle, M.J, Schlichting, I.
登録日2010-06-04
公開日2010-08-11
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structural and biochemical characterization of the cytochrome P450 CypX (CYP134A1) from Bacillus subtilis: a cyclo-L-leucyl-L-leucyl dipeptide oxidase.
Biochemistry, 49, 2010
1D6U
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BU of 1d6u by Molmil
CRYSTAL STRUCTURE OF E. COLI AMINE OXIDASE ANAEROBICALLY REDUCED WITH BETA-PHENYLETHYLAMINE
分子名称: 2-PHENYLETHYLAMINE, CALCIUM ION, COPPER (II) ION, ...
著者Wilmot, C.M, Hajdu, J, McPherson, M.J, Knowles, P.F, Phillips, S.E.V.
登録日1999-10-15
公開日2000-02-02
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Visualization of dioxygen bound to copper during enzyme catalysis.
Science, 286, 1999
2IWK
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BU of 2iwk by Molmil
Inhibitor-bound form of nitrous oxide reductase from Achromobacter Cycloclastes at 1.7 Angstrom resolution
分子名称: (MU-4-SULFIDO)-TETRA-NUCLEAR COPPER ION, CALCIUM ION, CHLORIDE ION, ...
著者Paraskevopoulos, K, Antonyuk, S.V, Sawers, R.G, Eady, R.R, Hasnain, S.S.
登録日2006-06-30
公開日2006-08-16
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Insight Into Catalysis of Nitrous Oxide Reductase from High-Resolution Structures of Resting and Inhibitor-Bound Enzyme from Achromobacter Cycloclastes.
J.Mol.Biol., 362, 2006
1LPS
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BU of 1lps by Molmil
A STRUCTURAL BASIS FOR THE CHIRAL PREFERENCES OF LIPASES
分子名称: (1S)-MENTHYL HEXYL PHOSPHONATE GROUP, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Grochulski, P.G, Cygler, M.C.
登録日1995-01-05
公開日1995-02-14
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.18 Å)
主引用文献A Structural Basis for the Chiral Preferences of Lipases
J.Am.Chem.Soc., 116, 1994
3PER
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BU of 3per by Molmil
Crystal Structure of BoxB with phosphate bound to the diiron center
分子名称: Benzoyl-CoA oxygenase component B, FE (III) ION, GLYCEROL, ...
著者Weinert, T, Rather, L.J, Fuchs, G, Ermler, U.
登録日2010-10-27
公開日2011-06-01
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure and Mechanism of the Diiron Benzoyl-Coenzyme A Epoxidase BoxB.
J.Biol.Chem., 286, 2011
5RB1
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BU of 5rb1 by Molmil
PanDDA analysis group deposition -- Crystal Structure of JMJD1B in complex with FM001700a
分子名称: CHLORIDE ION, Lysine-specific demethylase 3B, MANGANESE (II) ION, ...
著者Snee, M, Nowak, R, Johansson, C, Burgess-Brown, N.A, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Oppermann, U.
登録日2020-03-16
公開日2020-04-22
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献PanDDA analysis group deposition of Human JMJD1B screened against the DSPL Fragment Library
To Be Published
2XLU
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BU of 2xlu by Molmil
Joint-functions of protein residues and NADP(H) in oxygen-activation by flavin-containing monooxygenase: complex with thioNADP
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, DI(HYDROXYETHYL)ETHER, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Orru, R, Fraaije, M.W, Mattevi, A.
登録日2010-07-21
公開日2010-09-15
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Joint-Functions of Protein Residues and Nadp(H) in Oxygen-Activation by Flavin-Containing Monooxygenase
J.Biol.Chem., 285, 2010
2XLS
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BU of 2xls by Molmil
Joint-functions of protein residues and NADP(H) in oxygen-activation by flavin-containing monooxygenase: Asn78Lys mutant
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, DI(HYDROXYETHYL)ETHER, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Orru, R, Fraaije, M.W, Mattevi, A.
登録日2010-07-21
公開日2010-09-15
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Joint-Functions of Protein Residues and Nadp(H) in Oxygen-Activation by Flavin-Containing Monooxygenase
J.Biol.Chem., 285, 2010
2Y33
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BU of 2y33 by Molmil
S-nitrosylated PHD2 (GSNO soaked) in complex with Zn(II) and UN9
分子名称: EGL NINE HOMOLOG 1, N-[(1-CHLORO-4-HYDROXYISOQUINOLIN-3-YL)CARBONYL]GLYCINE, ZINC ION
著者Chowdhury, R, Clifton, I.J, Schofield, C.J.
登録日2010-12-18
公開日2010-12-29
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Studies on the Reaction of Nitric Oxide with the Hypoxia-Inducible Factor Prolyl Hydroxylase Domain 2 (Egln1)
J.Mol.Biol., 410, 2011
4PFD
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BU of 4pfd by Molmil
Crystal structure of M. tuberculosis in complex with a cBT - non-covalent adduct
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, IMIDAZOLE, Probable decaprenylphosphoryl-beta-D-ribose oxidase, ...
著者Neres, J, Panda, M, Cole, S.
登録日2014-04-28
公開日2015-10-21
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structure of M. tuberculosis in complex with a cBT
To be published
6I3J
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BU of 6i3j by Molmil
Bilirubin oxidase from Myrothecium verrucaria in complex with ferricyanide
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Bilirubin oxidase, CHLORIDE ION, ...
著者Svecova, L, Koval, T, Skalova, T, Kolenko, P, Duskova, J, Ostergaard, L.H, Dohnalek, J.
登録日2018-11-06
公開日2019-10-02
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.59 Å)
主引用文献Trp-His covalent adduct in bilirubin oxidase is crucial for effective bilirubin binding but has a minor role in electron transfer.
Sci Rep, 9, 2019
4BUR
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BU of 4bur by Molmil
Crystal structure of the reduced human Apoptosis inducing factor complexed with NAD
分子名称: APOPTOSIS INDUCING FACTOR 1, MITOCHONDRIAL, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Martinez-Julvez, M, Herguedas, B, Hermoso, J.A, Ferreira, P, Villanueva, R, Medina, M.
登録日2013-06-23
公開日2014-07-09
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.88 Å)
主引用文献Structural Insights Into the Coenzyme Mediated Monomer-Dimer Transition of the Pro-Apoptotic Apoptosis Inducing Factor.
Biochemistry, 53, 2014
1FEA
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BU of 1fea by Molmil
UNLIGANDED CRITHIDIA FASCICULATA TRYPANOTHIONE REDUCTASE AT 2.2 ANGSTROM RESOLUTION
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, TRYPANOTHIONE REDUCTASE
著者Strickland, C, Karplus, P.
登録日1995-07-12
公開日1997-01-11
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crithidia Fasciculata Trypanothione Reductase at 1.70 A Resolution
To be Published
5EQB
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BU of 5eqb by Molmil
Crystal structure of lanosterol 14-alpha demethylase with intact transmembrane domain bound to itraconazole
分子名称: 2-[(2R)-butan-2-yl]-4-{4-[4-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazin-1-yl]phenyl}-2,4-dihydro-3H-1,2,4-triazol-3-one, Lanosterol 14-alpha demethylase, PROTOPORPHYRIN IX CONTAINING FE
著者Monk, B.C, Tomasiak, T.M, Keniya, M.V, Huschmann, F.U, Tyndall, J.D.A, O'Connell III, J.D, Cannon, R.D, Finer-Morre, J, Stroud, R.M, Center for Structures of Membrane Proteins (CSMP)
登録日2015-11-12
公開日2016-01-13
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.19 Å)
主引用文献Architecture of a single membrane spanning cytochrome P450 suggests constraints that orient the catalytic domain relative to a bilayer.
Proc.Natl.Acad.Sci.USA, 111, 2014
3EBD
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BU of 3ebd by Molmil
Structure of inhibited murine iNOS oxygenase domain
分子名称: (2S)-2-methyl-2,3-dihydrothieno[2,3-f][1,4]oxazepin-5-amine, 5,6,7,8-TETRAHYDROBIOPTERIN, Nitric oxide synthase, ...
著者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.
登録日2008-08-27
公開日2008-10-07
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Anchored plasticity opens doors for selective inhibitor design in nitric oxide synthase.
Nat.Chem.Biol., 4, 2008
2FZM
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BU of 2fzm by Molmil
Structure of the E. coli PutA proline dehydrogenase domain reduced by dithionite and complexed with SO2
分子名称: Bifunctional protein putA, Proline dehydrogenase (EC 1.5.99.8) (Proline oxidase), FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Tanner, J.J.
登録日2006-02-09
公開日2007-04-03
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Redox-induced changes in flavin structure and roles of flavin N(5) and the ribityl 2'-OH group in regulating PutA--membrane binding.
Biochemistry, 46, 2007
3EAI
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BU of 3eai by Molmil
Structure of inhibited murine iNOS oxygenase domain
分子名称: 4-({4-[(4-methoxypyridin-2-yl)amino]piperidin-1-yl}carbonyl)benzonitrile, 5,6,7,8-TETRAHYDROBIOPTERIN, Nitric oxide synthase, ...
著者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.
登録日2008-08-25
公開日2008-10-07
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Anchored plasticity opens doors for selective inhibitor design in nitric oxide synthase.
Nat.Chem.Biol., 4, 2008
1Y8J
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BU of 1y8j by Molmil
Crystal Structure of human NEP complexed with an imidazo[4,5-c]pyridine inhibitor
分子名称: 2-[(1S)-1-BENZYL-2-SULFANYLETHYL]-1H-IMIDAZO[4,5-C]PYRIDIN-5-IUM, 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, ...
著者Sahli, S, Frank, B, Schweizer, W.B, Diederich, F, Blum-Kaelin, D, Aebi, J.D, Bohm, H.J, Oefner, C, Dale, G.E.
登録日2004-12-13
公開日2005-06-07
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Second-Generation Inhibitors for the Metalloprotease Neprilysin Based on Bicyclic Heteroaromatic Scaffolds: Synthesis, Biological Activity, and X-ray Crystal Structure Analysis
HELV.CHIM.ACTA, 88, 2005
1N60
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BU of 1n60 by Molmil
Crystal Structure of the Cu,Mo-CO Dehydrogenase (CODH); Cyanide-inactivated Form
分子名称: Carbon monoxide dehydrogenase large chain, Carbon monoxide dehydrogenase medium chain, Carbon monoxide dehydrogenase small chain, ...
著者Dobbek, H, Gremer, L, Kiefersauer, R, Huber, R, Meyer, O.
登録日2002-11-08
公開日2002-12-18
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.19 Å)
主引用文献Catalysis at a dinuclear [CuSMo(=O)OH] cluster in a CO dehydrogenase resolved at 1.1-A resolution
Proc.Natl.Acad.Sci.USA, 99, 2002
4NHL
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BU of 4nhl by Molmil
Crystal structure of Tpa1p from Saccharomyces cerevisiae, termination and polyadenylation protein 1, in complex with N-oxalylglycine (NOG)
分子名称: MANGANESE (II) ION, N-OXALYLGLYCINE, PKHD-type hydroxylase TPA1
著者Scotti, J.S, McDonough, M.A, Schofield, C.J.
登録日2013-11-05
公開日2014-11-19
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.84 Å)
主引用文献Structure of the Ribosomal Oxygenase OGFOD1 Provides Insights into the Regio- and Stereoselectivity of Prolyl Hydroxylases.
Structure, 23, 2015
4A79
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BU of 4a79 by Molmil
Crystal structure of human monoamine oxidase B (MAO B) in complex with pioglitazone
分子名称: (5R)-5-{4-[2-(5-ethylpyridin-2-yl)ethoxy]benzyl}-1,3-thiazolidine-2,4-dione, AMINE OXIDASE [FLAVIN-CONTAINING] B, FLAVIN-ADENINE DINUCLEOTIDE
著者Binda, C, Aldeco, M, Geldenhuys, W.J, Tortorici, M, Mattevi, A, Edmondson, D.E.
登録日2011-11-11
公開日2012-04-25
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Molecular Insights Into Human Monoamine Oxidase B Inhibition by the Glitazone Anti-Diabetes Drugs
Acs Med. Chem. Lett., 3, 2012

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