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2XAH
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BU of 2xah by Molmil
Crystal structure of LSD1-CoREST in complex with (+)-trans-2- phenylcyclopropyl-1-amine
Descriptor: 3-PHENYLPROPANAL, FLAVIN-ADENINE DINUCLEOTIDE, LYSINE-SPECIFIC HISTONE DEMETHYLASE 1, ...
Authors:Binda, C, Valente, S, Romanenghi, M, Pilotto, S, Cirilli, R, Karytinos, A, Ciossani, G, Botrugno, O.A, Forneris, F, Tardugno, M, Edmondson, D.E, Minucci, S, Mattevi, A, Mai, A.
Deposit date:2010-03-31
Release date:2010-05-05
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Biochemical, Structural, and Biological Evaluation of Tranylcypromine Derivatives as Inhibitors of Histone Demethylases Lsd1 and Lsd2.
J.Am.Chem.Soc., 132, 2010
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
3CF4
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BU of 3cf4 by Molmil
Structure of the CODH component of the M. barkeri ACDS complex
Descriptor: ACETIC ACID, Acetyl-CoA decarboxylase/synthase alpha subunit, Acetyl-CoA decarboxylase/synthase epsilon subunit, ...
Authors:Gong, W, Hao, B, Wei, Z, Ferguson Jr, D.J, Tallant, T, Krzycki, J.A, Chan, M.K.
Deposit date:2008-03-01
Release date:2008-07-22
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure of the alpha2 epsilon2 Ni-dependent CO dehydrogenase component of the Methanosarcina barkeri acetyl-CoA decarboxylase/synthase complex
Proc.Natl.Acad.Sci.USA, 105, 2008
2Y37
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BU of 2y37 by Molmil
The discovery of novel, potent and highly selective inhibitors of inducible nitric oxide synthase (iNOS)
Descriptor: 2-[(1R)-3-amino-1-phenyl-propoxy]-4-chloro-benzonitrile, 5,6,7,8-TETRAHYDROBIOPTERIN, GLYCEROL, ...
Authors:Cheshire, D.R, Andrews, G, Beaton, H.G, Birkinshaw, T.N, Boughton-Smith, N, Connolly, S, Cook, T.R, Cooper, A, Cooper, S.L, Cox, D, Dixon, J, Gensmantel, N, Hamley, P.J, Harrison, R, Hartopp, P, Kack, H, Luker, T, Mete, A, Millichip, I, Nicholls, D.J, Pimm, A.D, St-Gallay, S.A, Wallace, A.V.
Deposit date:2010-12-19
Release date:2011-04-13
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:The Discovery of Novel, Potent and Highly Selective Inhibitors of Inducible Nitric Oxide Synthase (Inos).
Bioorg.Med.Chem.Lett., 21, 2011
4GRT
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BU of 4grt by Molmil
HUMAN GLUTATHIONE REDUCTASE A34E, R37W MUTANT, MIXED DISULFIDE BETWEEN TRYPANOTHIONE AND THE ENZYME
Descriptor: BIS(GAMMA-GLUTAMYL-CYSTEINYL-GLYCINYL)SPERMIDINE, FLAVIN-ADENINE DINUCLEOTIDE, GLUTATHIONE REDUCTASE
Authors:Stoll, V.S, Simpson, S.J, Krauth-Siegel, R.L, Walsh, C.T, Pai, E.F.
Deposit date:1997-02-12
Release date:1997-08-12
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Glutathione reductase turned into trypanothione reductase: structural analysis of an engineered change in substrate specificity.
Biochemistry, 36, 1997
1SEZ
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BU of 1sez by Molmil
Crystal Structure of Protoporphyrinogen IX Oxidase
Descriptor: 2-{2-[4-(1,1,3,3-TETRAMETHYLBUTYL)PHENOXY]ETHOXY}ETHANOL, 4-BROMO-3-(5'-CARBOXY-4'-CHLORO-2'-FLUOROPHENYL)-1-METHYL-5-TRIFLUOROMETHYL-PYRAZOL, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Koch, M, Breithaupt, C, Kiefersauer, R, Freigang, J, Huber, R, Messerschmidt, A.
Deposit date:2004-02-19
Release date:2004-04-13
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Crystal structure of protoporphyrinogen IX oxidase: a key enzyme in haem and chlorophyll biosynthesis.
Embo J., 23, 2004
1GVE
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BU of 1gve by Molmil
Aflatoxin aldehyde reductase (AKR7A1) from Rat Liver
Descriptor: AFLATOXIN B1 ALDEHYDE REDUCTASE MEMBER 3, CITRIC ACID, GLYCEROL, ...
Authors:Kozma, E, Brown, E, Ellis, E.M, Lapthorn, A.J.
Deposit date:2002-02-08
Release date:2002-06-27
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.38 Å)
Cite:The Crystal Structure of Rat Liver Akr7A1: A Dimeric Member of the Aldo-Keto Reductase Superfamily
J.Biol.Chem., 277, 2002
2BZ9
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BU of 2bz9 by Molmil
Ligand-free structure of sterol 14alpha-demethylase from Mycobacterium tuberculosis in P2(1) space group
Descriptor: PROTOPORPHYRIN IX CONTAINING FE, STEROL 14ALPHA-DEMETHYLASE
Authors:Yermalitskaya, L.V, Waterman, M.R, Podust, L.M.
Deposit date:2005-08-12
Release date:2006-12-07
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Small Molecule Scaffolds for Cyp51 Inhibitors Identified by High Throughput Screening and Defined by X-Ray Crystallography
Antimicrob.Agents Chemother., 51, 2007
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
5T61
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BU of 5t61 by Molmil
TUNGSTEN-CONTAINING FORMYLMETHANOFURAN DEHYDROGENASE FROM METHANOTHERMOBACTER WOLFEII, TRICLINIC FORM AT 2.55 A
Descriptor: 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE, CHLORIDE ION, HYDROSULFURIC ACID, ...
Authors:Wagner, T, Ermler, U, Shima, S.
Deposit date:2016-09-01
Release date:2016-10-19
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:The methanogenic CO2 reducing-and-fixing enzyme is bifunctional and contains 46 [4Fe-4S] clusters.
Science, 354, 2016
2Y34
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BU of 2y34 by Molmil
S-nitrosylated PHD2 (NO exposed) in complex with Fe(II) and UN9
Descriptor: EGL NINE HOMOLOG 1, FE (II) ION, N-[(1-CHLORO-4-HYDROXYISOQUINOLIN-3-YL)CARBONYL]GLYCINE
Authors:Chowdhury, R, McDonough, M.A, Schofield, C.J.
Deposit date:2010-12-18
Release date:2010-12-29
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Studies on the reaction of nitric oxide with the hypoxia-inducible factor prolyl hydroxylase domain 2 (EGLN1).
J. Mol. Biol., 410, 2011
7CZL
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BU of 7czl by Molmil
Structural insights into a dimeric Psb27-photosystem II complex from a cyanobacterium Thermosynechococcus vulcanus
Descriptor: (1S)-2-(ALPHA-L-ALLOPYRANOSYLOXY)-1-[(TRIDECANOYLOXY)METHYL]ETHYL PALMITATE, 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, ...
Authors:Pi, X, Huang, G, Xiao, Y.
Deposit date:2020-09-09
Release date:2021-01-20
Last modified:2025-06-25
Method:ELECTRON MICROSCOPY (3.78 Å)
Cite:Structural insights into a dimeric Psb27-photosystem II complex from a cyanobacterium Thermosynechococcus vulcanus .
Proc.Natl.Acad.Sci.USA, 118, 2021
3IQZ
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BU of 3iqz by Molmil
Structure of F420 dependent methylene-tetrahydromethanopterin dehydrogenase in complex with methylene-tetrahydromethanopterin
Descriptor: 5,10-DIMETHYLENE TETRAHYDROMETHANOPTERIN, CALCIUM ION, F420-dependent methylenetetrahydromethanopterin dehydrogenase, ...
Authors:Ceh, K.E, Demmer, U, Warkentin, E, Moll, J, Thauer, R.K, Shima, S, Ermler, U.
Deposit date:2009-08-21
Release date:2009-10-06
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural basis of the hydride transfer mechanism in F(420)-dependent methylenetetrahydromethanopterin dehydrogenase
Biochemistry, 48, 2009
4IES
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BU of 4ies by Molmil
Cys-persulfenate bound Cysteine Dioxygenase at pH 6.2 in the presence of Cys
Descriptor: Cysteine dioxygenase type 1, FE (III) ION, S-HYDROPEROXYCYSTEINE
Authors:Driggers, C.M, Cooley, R.B, Sankaran, B, Karplus, P.A.
Deposit date:2012-12-13
Release date:2013-06-26
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Cysteine Dioxygenase Structures from pH4 to 9: Consistent Cys-Persulfenate Formation at Intermediate pH and a Cys-Bound Enzyme at Higher pH.
J.Mol.Biol., 425, 2013
2XFN
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BU of 2xfn by Molmil
Human monoamine oxidase B in complex with 2-(2-benzofuranyl)-2- imidazoline
Descriptor: 2-(2-BENZOFURANYL)-2-IMIDAZOLINE, Amine oxidase [flavin-containing] B, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Bonivento, D, Milczek, E.M, McDonald, G.R, Binda, C, Holt, A, Edmondson, D.E, Mattevi, A.
Deposit date:2010-05-26
Release date:2010-10-06
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Potentiation of ligand binding through cooperative effects in monoamine oxidase B.
J. Biol. Chem., 285, 2010
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
2XCG
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BU of 2xcg by Molmil
Tranylcypromine-inhibited human monoamine oxidase B in complex with 2- (2-benzofuranyl)-2-imidazoline
Descriptor: 2-(2-BENZOFURANYL)-2-IMIDAZOLINE, 3-PHENYLPROPANAL, Amine oxidase [flavin-containing] B, ...
Authors:Bonivento, D, Milczek, E.M, McDonald, G.R, Binda, C, Holt, A, Edmondson, D.E, Mattevi, A.
Deposit date:2010-04-23
Release date:2010-10-06
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Potentiation of ligand binding through cooperative effects in monoamine oxidase B.
J. Biol. Chem., 285, 2010
2XLT
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BU of 2xlt by Molmil
Joint-functions of protein residues and NADP(H) in oxygen-activation by flavin-containing monooxygenase: complex with 3-Acetylpyridine adenine dinucleotide phosphate (APADP)
Descriptor: 3-ACETYLPYRIDINE ADENINE DINUCLEOTIDE PHOSPHATE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, DI(HYDROXYETHYL)ETHER, ...
Authors:Orru, R, Fraaije, M.W, Mattevi, A.
Deposit date:2010-07-21
Release date:2010-09-15
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Joint functions of protein residues and NADP(H) in oxygen activation by flavin-containing monooxygenase.
J. Biol. Chem., 285, 2010
3EJD
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BU of 3ejd by Molmil
Crystal Structure of P450BioI in complex with hexadec-9Z-enoic acid ligated Acyl Carrier Protein
Descriptor: Acyl carrier protein, Biotin biosynthesis cytochrome P450-like enzyme, CHLORIDE ION, ...
Authors:Cryle, M.J, Schlichting, I.
Deposit date:2008-09-18
Release date:2008-10-07
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural insights from a P450 Carrier Protein complex reveal how specificity is achieved in the P450(BioI) ACP complex.
Proc.Natl.Acad.Sci.Usa, 105, 2008
1RRL
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BU of 1rrl by Molmil
Soybean Lipoxygenase (LOX-3) at 93K at 2.0 A resolution
Descriptor: FE (II) ION, Seed lipoxygenase-3
Authors:Borbulevych, O.Y, Jankun, J, Skrzypczak-Jankun, E.
Deposit date:2003-12-08
Release date:2004-12-21
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Effect of crystal freezing and small-molecule binding on internal cavity size in a large protein: X-ray and docking studies of lipoxygenase at ambient and low temperature at 2.0 A resolution.
Acta Crystallogr.,Sect.D, 62, 2006
1N8Q
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BU of 1n8q by Molmil
LIPOXYGENASE IN COMPLEX WITH PROTOCATECHUIC ACID
Descriptor: 3,4-DIHYDROXYBENZOIC ACID, FE (II) ION, lipoxygenase-3
Authors:Borbulevych, O.Y, Jankun, J, Selman, S.H, Skrzypczak-Jankun, E.
Deposit date:2002-11-21
Release date:2003-06-03
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Lipoxygenase interactions with natural flavonoid, quercetin, reveal a complex with protocatechuic acid in its X-ray structure at 2.1 A resolution.
PROTEINS: STRUCT.,FUNCT.,GENET., 54, 2004
3SX6
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BU of 3sx6 by Molmil
Crystal structure of sulfide:quinone oxidoreductase Cys356Ala variant from Acidithiobacillus ferrooxidans complexed with decylubiquinone
Descriptor: 2-decyl-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione, DODECYL-BETA-D-MALTOSIDE, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Cherney, M.M, Zhang, Y, James, M.N.G, Weiner, J.H.
Deposit date:2011-07-14
Release date:2012-05-16
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.7955 Å)
Cite:Structure-activity characterization of sulfide:quinone oxidoreductase variants.
J.Struct.Biol., 178, 2012
2YQ8
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BU of 2yq8 by Molmil
Crystal structure of the SeMet-labeled N-terminal domain and peptide substrate binding domain of alpha subunit of prolyl-4 hydroxylase type I from human.
Descriptor: PROLYL 4-HYDROXYLASE SUBUNIT ALPHA-1
Authors:Anantharajan, J, Koski, M.K, Wierenga, R.K.
Deposit date:2012-11-06
Release date:2013-10-09
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.987 Å)
Cite:The Structural Motifs for Substrate Binding and Dimerization of the Alpha Subunit of Collagen Prolyl 4-Hydroxylase
Structure, 21, 2013
1G65
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BU of 1g65 by Molmil
Crystal structure of epoxomicin:20s proteasome reveals a molecular basis for selectivity of alpha,beta-epoxyketone proteasome inhibitors
Descriptor: EPOXOMICIN (peptide inhibitor), MAGNESIUM ION, Proteasome component C1, ...
Authors:Groll, M, Kim, K.B, Kairies, N, Huber, R, Crews, C.
Deposit date:2000-11-03
Release date:2000-11-27
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Crystal Structure of Epoxomicin:20S Proteasome reveals a molecular basis for selectivity of alpha,beta-Epoxyketone Proteasome Inhibitors
J.Am.Chem.Soc., 122, 2000

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