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1C0P
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BU of 1c0p by Molmil
D-AMINO ACIC OXIDASE IN COMPLEX WITH D-ALANINE AND A PARTIALLY OCCUPIED BIATOMIC SPECIES
Descriptor: D-ALANINE, D-AMINO ACID OXIDASE, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Umhau, S, Pollegioni, L, Molla, G, Diederichs, K, Welte, W, Pilone, S.M, Ghisla, S.
Deposit date:1999-07-19
Release date:2000-11-22
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:The x-ray structure of D-amino acid oxidase at very high resolution identifies the chemical mechanism of flavin-dependent substrate dehydrogenation.
Proc.Natl.Acad.Sci.USA, 97, 2000
1CC4
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BU of 1cc4 by Molmil
PHE161 AND ARG166 VARIANTS OF P-HYDROXYBENZOATE HYDROXYLASE. IMPLICATIONS FOR NADPH RECOGNITION AND STRUCTURAL STABILITY.
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, P-HYDROXYBENZOIC ACID, PROTEIN (P-HYDROXYBENZOATE HYDROXYLASE)
Authors:Eppink, M.H.M, Bunthof, C, Schreuder, H.A, Van Berkel, W.J.H.
Deposit date:1999-03-04
Release date:1999-03-12
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2 Å)
Cite:Phe161 and Arg166 variants of p-hydroxybenzoate hydroxylase. Implications for NADPH recognition and structural stability.
Febs Lett., 443, 1999
4PIX
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BU of 4pix by Molmil
Unliganded Cysteine Dioxygenase C93A variant at pH 6.2
Descriptor: CHLORIDE ION, Cysteine dioxygenase type 1, FE (III) ION
Authors:Driggers, C.M, Karplus, P.A.
Deposit date:2014-05-09
Release date:2016-02-17
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Structure-Based Insights into the Role of the Cys-Tyr Crosslink and Inhibitor Recognition by Mammalian Cysteine Dioxygenase.
J. Mol. Biol., 428, 2016
3CNP
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BU of 3cnp by Molmil
Crystal structure of fms1 in complex with S-N1-AcMeSpermidine
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, N-{(1S)-3-[(4-aminobutyl)amino]-1-methylpropyl}acetamide, ...
Authors:Huang, Q, Hao, Q.
Deposit date:2008-03-26
Release date:2008-04-22
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of fms1 in complex with S-N1-AcMeSpermidine
TO BE PUBLISHED
4FDN
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BU of 4fdn by Molmil
Mycobacterium tuberculosis DprE1 in complex with CT325 - hexagonal crystal form
Descriptor: 3-(hydroxyamino)-N-[(1R)-1-phenylethyl]-5-(trifluoromethyl)benzamide, FLAVIN-ADENINE DINUCLEOTIDE, oxidoreductase DprE1
Authors:Batt, S.M, Besra, G.S, Futterer, K.
Deposit date:2012-05-29
Release date:2012-07-04
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural basis of inhibition of Mycobacterium tuberculosis DprE1 by benzothiazinone inhibitors.
Proc.Natl.Acad.Sci.USA, 109, 2012
1DJN
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BU of 1djn by Molmil
STRUCTURAL AND BIOCHEMICAL CHARACTERIZATION OF RECOMBINANT WILD TYPE TRIMETHYLAMINE DEHYDROGENASE FROM METHYLOPHILUS METHYLOTROPHUS (SP. W3A1)
Descriptor: ADENOSINE-5'-DIPHOSPHATE, FLAVIN MONONUCLEOTIDE, IRON/SULFUR CLUSTER, ...
Authors:Trickey, P, Basran, J, Lian, L.-Y, Chen, Z.-W, Barton, J.D, Sutcliffe, M.J, Scrutton, N.S, Mathews, F.S.
Deposit date:1999-12-03
Release date:1999-12-22
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural and biochemical characterization of recombinant wild type and a C30A mutant of trimethylamine dehydrogenase from methylophilus methylotrophus (sp. W(3)A(1)).
Biochemistry, 39, 2000
5BOO
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BU of 5boo by Molmil
Crystal structure of Plasmodium falciparum dihydroorotate dehydrogenase bound with Inhibitor DSM265
Descriptor: 2-(1,1-difluoroethyl)-5-methyl-N-[4-(pentafluoro-lambda~6~-sulfanyl)phenyl][1,2,4]triazolo[1,5-a]pyrimidin-7-amine, Dihydroorotate dehydrogenase (quinone), mitochondrial, ...
Authors:Phillips, M, Deng, X, Tomchick, D.
Deposit date:2015-05-27
Release date:2015-07-29
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:A long-duration dihydroorotate dehydrogenase inhibitor (DSM265) for prevention and treatment of malaria.
Sci Transl Med, 7, 2015
4FDO
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BU of 4fdo by Molmil
Mycobacterium tuberculosis DprE1 in complex with CT319
Descriptor: 3-nitro-N-[(1R)-1-phenylethyl]-5-(trifluoromethyl)benzamide, FLAVIN-ADENINE DINUCLEOTIDE, oxidoreductase DprE1
Authors:Batt, S.M, Besra, G.S, Futterer, K.
Deposit date:2012-05-29
Release date:2012-07-04
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.403 Å)
Cite:Structural basis of inhibition of Mycobacterium tuberculosis DprE1 by benzothiazinone inhibitors.
Proc.Natl.Acad.Sci.USA, 109, 2012
3EAH
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BU of 3eah by Molmil
Structure of inhibited human eNOS oxygenase domain
Descriptor: (3S,5E)-3-propyl-3,4-dihydrothieno[2,3-f][1,4]oxazepin-5(2H)-imine, (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, ...
Authors: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.
Deposit date:2008-08-25
Release date:2008-10-07
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.44 Å)
Cite:Anchored plasticity opens doors for selective inhibitor design in nitric oxide synthase.
Nat.Chem.Biol., 4, 2008
4JJG
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BU of 4jjg by Molmil
Crystal structure of FE-hydrogenase from methanothermobacter marburgensis in complex with toluenesulfonylmethylisocyanide
Descriptor: 5,10-methenyltetrahydromethanopterin hydrogenase, N-methyl-1-[(4-methylbenzyl)sulfonyl]methanamine, iron-guanylyl pyridinol cofactor
Authors:Tamura, H, Warkentin, E, Ermler, U, Shima, S.
Deposit date:2013-03-07
Release date:2013-08-07
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structures of [fe]-hydrogenase in complex with inhibitory isocyanides: implications for the h2 -activation site.
Angew.Chem.Int.Ed.Engl., 52, 2013
2R0N
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BU of 2r0n by Molmil
The effect of a Glu370Asp mutation in Glutaryl-CoA Dehydrogenase on Proton Transfer to the Dienolate Intermediate
Descriptor: 3-thiaglutaryl-CoA, FLAVIN-ADENINE DINUCLEOTIDE, Glutaryl-CoA dehydrogenase
Authors:Rao, K.S, Albro, M, Fu, Z, Narayanan, B, Baddam, S, Lee, H.J, Kim, J.J, Frerman, F.E.
Deposit date:2007-08-20
Release date:2008-04-22
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The effect of a Glu370Asp mutation in glutaryl-CoA dehydrogenase on proton transfer to the dienolate intermediate.
Biochemistry, 46, 2007
1N70
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BU of 1n70 by Molmil
The Crystal Structure of Nitrite Reductase Mutant His287Ala from Rhodobacter Sphaeroides
Descriptor: COPPER (II) ION, Copper-containing nitrite reductase precursor, MAGNESIUM ION
Authors:Guo, H, Olesen, K, Shapliegh, J, Sjolin, L.
Deposit date:2002-11-12
Release date:2004-09-28
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:The Crystal Structure of Nitrite Reductase Mutant His287Ala from Rhodobacter Sphaeroides to 1.6 Resolution
To be Published
1Z6L
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BU of 1z6l by Molmil
crystal structure of Fms1 in complex with its substrate
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, N-(6-AMINOHEXYL)HEXANE-1,6-DIAMINE, Polyamine oxidase FMS1
Authors:Huang, Q, Liu, Q, Hao, Q.
Deposit date:2005-03-22
Release date:2005-09-27
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:crystal structure of Fms1 in complex with its substrate
To be Published
1DFX
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BU of 1dfx by Molmil
DESULFOFERRODOXIN FROM DESULFOVIBRIO DESULFURICANS, ATCC 27774
Descriptor: CALCIUM ION, DESULFOFERRODOXIN, FE (III) ION
Authors:Coelho, A.V, Matias, P.M, Carrondo, M.A.
Deposit date:1997-09-03
Release date:1998-10-14
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Desulfoferrodoxin Structure Determined by MAD Phasing and Refinement to 1.9 Angstroms Resolution Reveals a Unique Combination of a Tetrahedral Fes4 Centre with a Square Pyramidal Fesn4 Centre
J.Biol.Inorg.Chem., 2, 1997
3QWB
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BU of 3qwb by Molmil
Crystal structure of Saccharomyces cerevisiae Zeta-crystallin-like quinone oxidoreductase Zta1 complexed with NADPH
Descriptor: GLYCEROL, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Probable quinone oxidoreductase
Authors:Guo, P.C, Ma, X.X, Bao, Z.Z, Chen, Y.X, Zhou, C.Z.
Deposit date:2011-02-28
Release date:2012-02-08
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Structural insights into the cofactor-assisted substrate recognition of yeast quinone oxidoreductase Zta1
J.Struct.Biol., 176, 2011
1DJQ
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BU of 1djq by Molmil
STRUCTURAL AND BIOCHEMICAL CHARACTERIZATION OF RECOMBINANT C30A MUTANT OF TRIMETHYLAMINE DEHYDROGENASE FROM METHYLOPHILUS METHYLOTROPHUS (SP. W3A1)
Descriptor: ADENOSINE-5'-DIPHOSPHATE, FLAVIN MONONUCLEOTIDE, IRON/SULFUR CLUSTER, ...
Authors:Trickey, P, Basran, J, Lian, L.-Y, Chen, Z.-W, Barton, J.D, Sutcliffe, M.J, Scrutton, N.S, Mathews, F.S.
Deposit date:1999-12-03
Release date:1999-12-22
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural and biochemical characterization of recombinant wild type and a C30A mutant of trimethylamine dehydrogenase from methylophilus methylotrophus (sp. W(3)A(1)).
Biochemistry, 39, 2000
1HPC
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BU of 1hpc by Molmil
REFINED STRUCTURES AT 2 ANGSTROMS AND 2.2 ANGSTROMS OF THE TWO FORMS OF THE H-PROTEIN, A LIPOAMIDE-CONTAINING PROTEIN OF THE GLYCINE DECARBOXYLASE
Descriptor: 5-[(3S)-1,2-dithiolan-3-yl]pentanoic acid, H PROTEIN OF THE GLYCINE CLEAVAGE SYSTEM, LIPOIC ACID
Authors:Pares, S, Cohen-Addad, C, Sieker, L, Neuburger, M, Douce, R.
Deposit date:1994-02-17
Release date:1995-05-08
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2 Å)
Cite:Refined structures at 2 and 2.2 A resolution of two forms of the H-protein, a lipoamide-containing protein of the glycine decarboxylase complex.
Acta Crystallogr.,Sect.D, 51, 1995
1ED6
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BU of 1ed6 by Molmil
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
1ZZ7
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BU of 1zz7 by Molmil
Crystal Structure of FeII HppE in Complex with Substrate form 1
Descriptor: (S)-2-HYDROXYPROPYLPHOSPHONIC ACID, FE (II) ION, Hydroxyprophylphosphonic Acid Epoxidase
Authors:Higgins, L.J, Yan, F, Liu, P, Liu, H.W, Drennan, C.L.
Deposit date:2005-06-13
Release date:2005-07-26
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural insight into antibiotic fosfomycin biosynthesis by a mononuclear iron enzyme
Nature, 437, 2005
1EWP
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BU of 1ewp by Molmil
CRUZAIN BOUND TO MOR-LEU-HPQ
Descriptor: CRUZAIN, N-[(3S)-1-fluoro-2-oxo-5-phenylpentan-3-yl]-N~2~-(morpholin-4-ylcarbonyl)-L-leucinamide
Authors:Gillmor, S.A.
Deposit date:2000-04-26
Release date:2000-05-17
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Chapter 3: X-ray Structures of Complexes of Cruzain with Designed Covalent Inhibitors
Enzyme-ligand Interactions, Inhibition and Specificity, 1998
2AEX
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BU of 2aex by Molmil
The 1.58A Crystal Structure of Human Coproporphyrinogen Oxidase Reveals the Structural Basis of Hereditary Coproporphyria
Descriptor: CITRIC ACID, Coproporphyrinogen III oxidase, mitochondrial
Authors:Lee, D.S, Flachsova, E, Bodnarova, M, Demeler, B, Martasek, P, Raman, C.S.
Deposit date:2005-07-24
Release date:2005-08-02
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Structural basis of hereditary coproporphyria.
Proc.Natl.Acad.Sci.USA, 102, 2005
1SBH
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BU of 1sbh by Molmil
SUBTILISIN BPN' 8397+1 (E.C. 3.4.21.14) MUTANT (M50F, N76D, G169A, Q206C, N218S, K256Y)
Descriptor: CALCIUM ION, SUBTILISIN 8397+1
Authors:Kidd, R.D, Farber, G.K.
Deposit date:1995-09-01
Release date:1995-12-07
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:A weak calcium binding site in subtilisin BPN' has a dramatic effect on protein stability.
J.Am.Chem.Soc., 118, 1996
1NDR
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BU of 1ndr by Molmil
CRYSTALLOGRAPHIC STRUCTURE OF A BLUE COPPER NITRITE REDUCTASE FROM ALCALIGENES XYLOSOXIDANS
Descriptor: COPPER (II) ION, NITRITE REDUCTASE
Authors:Dodd, F.E, Hasnain, S.S, Abraham, Z.H.L, Eady, R.R, Smith, B.E.
Deposit date:1997-01-23
Release date:1997-07-07
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structures of a blue-copper nitrite reductase and its substrate-bound complex.
Acta Crystallogr.,Sect.D, 53, 1997
1NDS
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BU of 1nds by Molmil
CRYSTALLOGRAPHIC STRUCTURE OF A SUBSTRATE BOUND BLUE COPPER NITRITE REDUCTASE FROM ALCALIGENES XYLOSOXIDANS
Descriptor: COPPER (II) ION, NITRITE ION, NITRITE REDUCTASE
Authors:Dodd, F.E, Hasnain, S.S, Abraham, Z.H.L, Eady, R.R, Smith, B.E.
Deposit date:1997-01-23
Release date:1997-07-07
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structures of a blue-copper nitrite reductase and its substrate-bound complex.
Acta Crystallogr.,Sect.D, 53, 1997
2GC7
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BU of 2gc7 by Molmil
Substrate reduced, copper free complex of methylamine dehydrogenase, amicyanin and cytochrome c551i from Paracoccus denitrificans.
Descriptor: Amicyanin, Cytochrome c-L, HEME C, ...
Authors:Chen, Z, Durley, R, Davidson, V.L, Mathews, F.S.
Deposit date:2006-03-13
Release date:2007-02-06
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structral comparison of the oxidized ternary electron transfer complex of methylamine dehydrogenase, amicyanin and cytochrome c551i from Paracoccus denitrificans with the substrate-reduced, copper free complex at 1.9 A resolution.
To be Published

243083

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