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3F0L
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BU of 3f0l by Molmil
Crystal structure of oxidized D105N Synechocystis sp. PcyA
Descriptor: 1,2-ETHANEDIOL, BILIVERDINE IX ALPHA, Phycocyanobilin:ferredoxin oxidoreductase
Authors:Kohler, A.C, Gae, D.D.
Deposit date:2008-10-25
Release date:2009-10-13
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Structural basis for hydration dynamics in radical stabilization of bilin reductase mutants.
Biochemistry, 49, 2010
1ZPT
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BU of 1zpt by Molmil
Escherichia coli Methylenetetrahydrofolate Reductase (reduced) complexed with NADH, pH 7.25
Descriptor: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 5,10-methylenetetrahydrofolate reductase, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Pejchal, R, Sargeant, R, Ludwig, M.L.
Deposit date:2005-05-17
Release date:2005-08-09
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structures of NADH and CH(3)-H(4)Folate Complexes of Escherichia coli Methylenetetrahydrofolate Reductase Reveal a Spartan Strategy for a Ping-Pong Reaction
Biochemistry, 44, 2005
4JSF
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BU of 4jsf by Molmil
Structure of rat neuronal nitric oxide synthase heme domain in complex with 6,6'-(heptane-1,7-diyl)bis(4-methylpyridin-2-amine)
Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, 6,6'-heptane-1,7-diylbis(4-methylpyridin-2-amine), ACETATE ION, ...
Authors:Li, H, Poulos, T.L.
Deposit date:2013-03-22
Release date:2013-08-07
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:In search of potent and selective inhibitors of neuronal nitric oxide synthase with more simple structures.
Bioorg.Med.Chem., 21, 2013
3NB8
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BU of 3nb8 by Molmil
Crystal structure of oxidized H88Q Synechocystis sp. PCYA
Descriptor: 1,2-ETHANEDIOL, BILIVERDINE IX ALPHA, Phycocyanobilin:ferredoxin oxidoreductase
Authors:Gae, D.D.
Deposit date:2010-06-03
Release date:2010-10-06
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Structural basis for hydration dynamics in radical stabilization of bilin reductase mutants.
Biochemistry, 49, 2010
6DHP
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BU of 6dhp by Molmil
RT XFEL structure of the three-flash state of Photosystem II (3F, S0-rich) at 2.04 Angstrom resolution
Descriptor: 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ...
Authors:Kern, J, Chatterjee, R, Young, I.D, Fuller, F.D, Lassalle, L, Ibrahim, M, Gul, S, Fransson, T, Brewster, A.S, Alonso-Mori, R, Hussein, R, Zhang, M, Douthit, L, de Lichtenberg, C, Cheah, M.H, Shevela, D, Wersig, J, Seufert, I, Sokaras, D, Pastor, E, Weninger, C, Kroll, T, Sierra, R.G, Aller, P, Butryn, A, Orville, A.M, Liang, M, Batyuk, A, Koglin, J.E, Carbajo, S, Boutet, S, Moriarty, N.W, Holton, J.M, Dobbek, H, Adams, P.D, Bergmann, U, Sauter, N.K, Zouni, A, Messinger, J, Yano, J, Yachandra, V.K.
Deposit date:2018-05-20
Release date:2018-11-21
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Structures of the intermediates of Kok's photosynthetic water oxidation clock.
Nature, 563, 2018
3VMG
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BU of 3vmg by Molmil
Reduced carbazole-bound complex between oxygenase and ferredoxin in carbazole 1,9a-dioxygenase
Descriptor: 9H-CARBAZOLE, FE (II) ION, FE2/S2 (INORGANIC) CLUSTER, ...
Authors:Ashikawa, Y, Nojiri, H.
Deposit date:2011-12-12
Release date:2012-08-22
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structural insight into the substrate- and dioxygenbinding manner in the catalytic cycle of rieske nonheme iron oxygenase system, carbazole 1,9adioxygenase
Bmc Struct.Biol., 12, 2012
3SWO
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BU of 3swo by Molmil
Crystal structure of a glutaryl-coa dehydrogenase from mycobacterium smegmatis in complex with FADH2
Descriptor: 1,2-ETHANEDIOL, DIHYDROFLAVINE-ADENINE DINUCLEOTIDE, Glutaryl-CoA dehydrogenase, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2011-07-14
Release date:2011-08-03
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Increasing the structural coverage of tuberculosis drug targets.
Tuberculosis (Edinb), 95, 2015
1XVC
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BU of 1xvc by Molmil
soluble methane monooxygenase hydroxylase: 8-bromooctanol soaked structure
Descriptor: 1-BROMOPENTANE, BROMIDE ION, BROMOMETHANE, ...
Authors:Sazinsky, M.H, Lippard, S.J.
Deposit date:2004-10-27
Release date:2005-05-03
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2 Å)
Cite:Product Bound Structures of the Soluble Methane Monooxygenase Hydroxylase from Methylococcus capsulatus (Bath): Protein Motion in the Alpha-Subunit
J.Am.Chem.Soc., 127, 2005
3VMH
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BU of 3vmh by Molmil
Oxygen-bound complex between oxygenase and ferredoxin in carbazole 1,9a-dioxygenase
Descriptor: FE (II) ION, FE2/S2 (INORGANIC) CLUSTER, Ferredoxin component of carbazole, ...
Authors:Ashikawa, Y, Nojiri, H.
Deposit date:2011-12-12
Release date:2012-08-22
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structural insight into the substrate- and dioxygenbinding manner in the catalytic cycle of rieske nonheme iron oxygenase system, carbazole 1,9adioxygenase
Bmc Struct.Biol., 12, 2012
4QOF
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BU of 4qof by Molmil
Crystal structure of fmn quinone reductase 2 AT 1.55A
Descriptor: FLAVIN MONONUCLEOTIDE, Ribosyldihydronicotinamide dehydrogenase [quinone], ZINC ION
Authors:Serriere, J, Boutin, J.A, Isabet, T, Antoine, M, Ferry, G.
Deposit date:2014-06-20
Release date:2015-07-01
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Crystal structure of FMN quinone reductase 2 at 1.55A
To be Published
5FZ0
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BU of 5fz0 by Molmil
Crystal structure of the catalytic domain of human JARID1B in complex with 2,5-dichloro-N-(pyridin-3-yl)thiophene-3-carboxamide (N08137b) (ligand modelled based on PANDDA event map, SGC - Diamond I04-1 fragment screening)
Descriptor: 1,2-ETHANEDIOL, 2,5-dichloro-N-(pyridin-3-yl)thiophene-3-carboxamide, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
Authors:Nowak, R, Krojer, T, Pearce, N, Johansson, C, Gileadi, C, Kupinska, K, Strain-Damerell, C, Szykowska, A, Burgess-Brown, N.A, Arrowsmith, C.H, Bountra, C, Edwards, A.M, von Delft, F, Brennan, P.E, Oppermann, U.
Deposit date:2016-03-10
Release date:2016-04-06
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.42 Å)
Cite:Crystal Structure of the Catalytic Domain of Human Jarid1B in Complex with N11213A
To be Published
1P4G
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BU of 1p4g by Molmil
Crystal structure of glycogen phosphorylase b in complex with C-(1-azido-alpha-D-glucopyranosyl)formamide
Descriptor: C-(1-AZIDO-ALPHA-D-GLUCOPYRANOSYL) FORMAMIDE, Glycogen phosphorylase, muscle form, ...
Authors:Chrysina, E.D, Oikonomakos, N.G, Zographos, S.E, Kosmopoulou, M.N, Bischler, N, Leonidas, D.D, Nagy, V, Somsak, L, Gergely, P, Praly, J.-P.
Deposit date:2003-04-23
Release date:2004-05-18
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crsytallographic Studies on alpha- and beta-D-glucopyranosyl Formamide Analogues, Inhibitors of Glycogen Phosphorylase
Biocatal.Biotransfor., 21, 2003
2B1X
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BU of 2b1x by Molmil
Crystal structure of naphthalene 1,2-dioxygenase from Rhodococcus sp.
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, FE (III) ION, FE2/S2 (INORGANIC) CLUSTER, ...
Authors:Gakhar, L, Malik, Z.A, Allen, C.C, Lipscomb, D.A, Larkin, M.J, Ramaswamy, S.
Deposit date:2005-09-16
Release date:2005-10-04
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure and Increased Thermostability of Rhodococcus sp. Naphthalene 1,2-Dioxygenase.
J.Bacteriol., 187, 2005
4NHX
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BU of 4nhx by Molmil
Crystal structure of human OGFOD1, 2-oxoglutarate and iron-dependent oxygenase domain containing 1, in complex with N-oxalylglycine (NOG)
Descriptor: 2-oxoglutarate and iron-dependent oxygenase domain-containing protein 1, GLYCEROL, MANGANESE (II) ION, ...
Authors:Horita, S, McDonough, M.A, Schofield, C.J.
Deposit date:2013-11-05
Release date:2014-11-19
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.105 Å)
Cite:Structure of the Ribosomal Oxygenase OGFOD1 Provides Insights into the Regio- and Stereoselectivity of Prolyl Hydroxylases.
Structure, 23, 2015
1QBG
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BU of 1qbg by Molmil
CRYSTAL STRUCTURE OF HUMAN DT-DIAPHORASE (NAD(P)H OXIDOREDUCTASE)
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, NAD(P)H DEHYDROGENASE [QUINONE] 1
Authors:Skelly, J.V, Sanderson, M.R, Suter, D.A, Baumann, U, Gregory, D.S, Bennett, M, Hobbs, S.M, Neidle, S.
Deposit date:1999-04-20
Release date:2000-04-24
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of human DT-diaphorase: a model for interaction with the cytotoxic prodrug 5-(aziridin-1-yl)-2,4-dinitrobenzamide (CB1954).
J.Med.Chem., 42, 1999
5M8S
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BU of 5m8s by Molmil
Crystal structure of human tyrosinase related protein 1 mutant (T391V-R374S-Y362F) in complex with phenylthiourea (PTU)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Lai, X, Soler-Lopez, M, Wichers, H.J, Dijkstra, B.W.
Deposit date:2016-10-29
Release date:2018-01-31
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Phenylthiourea Binding to Human Tyrosinase-Related Protein 1
Int J Mol Sci, 2020
3R9C
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BU of 3r9c by Molmil
Crystal structure of Mycobacterium smegmatis CYP164A2 with Econazole bound
Descriptor: 1,2-ETHANEDIOL, 1-[(2R)-2-[(4-chlorobenzyl)oxy]-2-(2,4-dichlorophenyl)ethyl]-1H-imidazole, Cytochrome P450 164A2, ...
Authors:Agnew, C.R.J, Kelly, S.L, Brady, R.L.
Deposit date:2011-03-25
Release date:2012-03-28
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:An enlarged, adaptable active site in CYP164 family P450 enzymes, the sole P450 in Mycobacterium leprae.
Antimicrob.Agents Chemother., 56, 2012
3NHW
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BU of 3nhw by Molmil
X-ray Crystallographic Structure Activity Relationship (SAR) of Casimiroin and its Analogs Bound to Human Quinone Reductase 2
Descriptor: 1,4-dimethylquinolin-2(1H)-one, FLAVIN-ADENINE DINUCLEOTIDE, Ribosyldihydronicotinamide dehydrogenase [quinone], ...
Authors:Sturdy, M.
Deposit date:2010-06-14
Release date:2012-01-11
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:X-ray Crystallographic Structure Activity Relationship (SAR) of Casimiroin and its Analogs Bound to Human Quinone Reductase 2
To be Published
3IAM
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BU of 3iam by Molmil
Crystal structure of the hydrophilic domain of respiratory complex I from Thermus thermophilus, reduced, 2 mol/ASU, with bound NADH
Descriptor: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, CALCIUM ION, FE2/S2 (INORGANIC) CLUSTER, ...
Authors:Sazanov, L.A, Berrisford, J.M.
Deposit date:2009-07-14
Release date:2009-09-15
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structural basis for the mechanism of respiratory complex I
J.Biol.Chem., 284, 2009
4HMV
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BU of 4hmv by Molmil
Crystal structure of PhzG from Pseudomonas fluorescens 2-79 in complex with tetrahydrophenazine-1-carboxylic acid after 5 days of soaking
Descriptor: (1R,10aS)-1,2,10,10a-tetrahydrophenazine-1-carboxylic acid, FLAVIN MONONUCLEOTIDE, Phenazine biosynthesis protein phzG, ...
Authors:Xu, N.N, Ahuja, E.G, Blankenfeldt, W.
Deposit date:2012-10-18
Release date:2013-08-07
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Trapped intermediates in crystals of the FMN-dependent oxidase PhzG provide insight into the final steps of phenazine biosynthesis
Acta Crystallogr.,Sect.D, 69, 2013
4HMT
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BU of 4hmt by Molmil
Crystal structure of PhzG from Pseudomonas fluorescens 2-79 in complex with hexahydrophenazine-1,6-dicarboxylic acid
Descriptor: (1R,5aS,6R)-1,2,5,5a,6,7-hexahydrophenazine-1,6-dicarboxylic acid, FLAVIN MONONUCLEOTIDE, Phenazine biosynthesis protein phzG, ...
Authors:Xu, N.N, Ahuja, E.G, Blankenfeldt, W.
Deposit date:2012-10-18
Release date:2013-08-07
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Trapped intermediates in crystals of the FMN-dependent oxidase PhzG provide insight into the final steps of phenazine biosynthesis
Acta Crystallogr.,Sect.D, 69, 2013
4D6T
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BU of 4d6t by Molmil
Cytochrome bc1 bound to the 4(1H)-pyridone GW844520
Descriptor: 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, 3-chloro-2,6-dimethyl-5-{4-[4-(trifluoromethoxy)phenoxy]phenyl}pyridin-4-ol, CARDIOLIPIN, ...
Authors:Capper, M.J, O'Neill, P.M, Fisher, N, Strange, R.W, Moss, D, Ward, S.A, Berry, N.G, Lawrenson, A.S, Hasnain, S.S, Biagini, G.A, Antonyuk, S.V.
Deposit date:2014-11-14
Release date:2015-01-14
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (3.57 Å)
Cite:Antimalarial 4(1H)-Pyridones Bind to the Qi Site of Cytochrome Bc1.
Proc.Natl.Acad.Sci.USA, 112, 2015
3WA2
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BU of 3wa2 by Molmil
High resolution crystal structure of copper amine oxidase from arthrobacter globiformis
Descriptor: 1,2-ETHANEDIOL, COPPER (II) ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Murakawa, T, Hayashi, H, Sunami, T, Kurihara, K, Tamada, T, Kuroki, R, Suzuki, M, Tanizawa, K, Okajima, T.
Deposit date:2013-04-22
Release date:2013-09-11
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.08 Å)
Cite:High-resolution crystal structure of copper amine oxidase from Arthrobacter globiformis: assignment of bound diatomic molecules as O2
Acta Crystallogr.,Sect.D, 69, 2013
3WA3
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BU of 3wa3 by Molmil
Crystal structure of copper amine oxidase from arthrobacter globiformis in N2 condition
Descriptor: 1,2-ETHANEDIOL, COPPER (II) ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Murakawa, T, Hayashi, H, Sunami, T, Kurihara, K, Tamada, T, Kuroki, R, Suzuki, M, Tanizawa, K, Okajima, T.
Deposit date:2013-04-22
Release date:2013-09-11
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:High-resolution crystal structure of copper amine oxidase from Arthrobacter globiformis: assignment of bound diatomic molecules as O2
Acta Crystallogr.,Sect.D, 69, 2013
3PO7
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BU of 3po7 by Molmil
Human monoamine oxidase B in complex with zonisamide
Descriptor: 1-(1,2-benzoxazol-3-yl)methanesulfonamide, Amine oxidase [flavin-containing] B, FLAVIN-ADENINE DINUCLEOTIDE
Authors:Binda, C, Aldeco, M, Mattevi, A, Edmondson, D.E.
Deposit date:2010-11-22
Release date:2011-01-12
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Interactions of monoamine oxidases with the antiepileptic drug zonisamide: specificity of inhibition and structure of the human monoamine oxidase B complex
J.Med.Chem., 54, 2011

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