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7COO
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BU of 7coo by Molmil
Structure of the CYP102A1 Haem Domain with N-Carboxybenzyl-L-Prolyl-L-Phenylalanine in complex with Cyclohexylamine
Descriptor: (2S)-3-phenyl-2-[[(2S)-1-phenylmethoxycarbonylpyrrolidin-2-yl]carbonylamino]propanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, CYCLOHEXYLAMMONIUM ION, ...
Authors:Stanfield, J.K, Sugimoto, H, Shoji, O.
Deposit date:2020-08-04
Release date:2021-09-15
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:Structure of the CYP102A1 Haem Domain with N-Carboxybenzyl-L-Prolyl-L-Phenylalanine in complex with Cyclohexylamine at 1.49 Angstrom Resolution
To Be Published
3HYS
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BU of 3hys by Molmil
Structure of Rv0554 from Mycobacterium tuberculosis complexed with Malonic Acid
Descriptor: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, MALONIC ACID, ...
Authors:Johnston, J.M, Baker, E.N.
Deposit date:2009-06-23
Release date:2010-06-02
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural and functional analysis of Rv0554 from Mycobacterium tuberculosis: testing a putative role in menaquinone biosynthesis.
Acta Crystallogr.,Sect.D, 66, 2010
1D4E
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BU of 1d4e by Molmil
CRYSTAL STRUCTURE OF THE FLAVOCYTOCHROME C FUMARATE REDUCTASE OF SHEWANELLA PUTREFACIENS STRAIN MR-1 COMPLEXED WITH FUMARATE
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, FLAVOCYTOCHROME C FUMARATE REDUCTASE, FUMARIC ACID, ...
Authors:Leys, D, Tsapin, A.S, Meyer, T.E, Cusanovich, M.A, Van Beeumen, J.J.
Deposit date:1999-10-03
Release date:1999-12-01
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure and mechanism of the flavocytochrome c fumarate reductase of Shewanella putrefaciens MR-1.
Nat.Struct.Biol., 6, 1999
5TR2
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BU of 5tr2 by Molmil
Crystal structure of the D263G missense variant of human PGM1
Descriptor: CALCIUM ION, GLYCEROL, Phosphoglucomutase-1, ...
Authors:Beamer, L.J, Stiers, K.M.
Deposit date:2016-10-25
Release date:2017-02-08
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Asp263 missense variants perturb the active site of human phosphoglucomutase 1.
FEBS J., 284, 2017
3GA7
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BU of 3ga7 by Molmil
1.55 Angstrom Crystal Structure of an Acetyl Esterase from Salmonella typhimurium
Descriptor: Acetyl esterase, CHLORIDE ION
Authors:Minasov, G, Wawrzak, Z, Brunzelle, J, Onopriyenko, O, Skarina, T, Peterson, S.N, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2009-02-16
Release date:2009-02-24
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:1.55 Angstrom Crystal Structure of an Acetyl Esterase from Salmonella typhimurium.
TO BE PUBLISHED
4DOY
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BU of 4doy by Molmil
Crystal structure of Dibenzothiophene desulfurization enzyme C
Descriptor: Dibenzothiophene desulfurization enzyme C, GLYCEROL
Authors:Liu, S, Zhang, C, Zhu, D, Gu, L.
Deposit date:2012-02-12
Release date:2013-02-13
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.789 Å)
Cite:Crystal structure of DszC from Rhodococcus sp. XP at 1.79 angstrom
Proteins, 82, 2014
6F1G
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BU of 6f1g by Molmil
The structure of AbnB-E201A, an intracellular 1,5-alpha-L-arabinanase from Geobacillus stearothermophilus, in complex with arabinopentaose
Descriptor: CALCIUM ION, Intracellular endo-alpha-(1->5)-L-arabinanase, SULFATE ION, ...
Authors:Lansky, S, Shwartshtien, O, Salama, R, Shoham, Y, Shoham, G.
Deposit date:2017-11-21
Release date:2018-12-12
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.672 Å)
Cite:The structure of AbnB-E201A, an intracellular 1,5-alpha-L-arabinanase from Geobacillus stearothermophilus, in complex with arabinopentaose
To Be Published
5UCS
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BU of 5ucs by Molmil
Class II fructose-1,6-bisphosphate aldolase E149A variant of Helicobacter pylori
Descriptor: Fructose-bisphosphate aldolase, SODIUM ION, ZINC ION
Authors:Jacques, B, Sygusch, J.
Deposit date:2016-12-22
Release date:2018-04-11
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.408 Å)
Cite:Active site remodeling during the catalytic cycle in metal-dependent fructose-1,6-bisphosphate aldolases.
J. Biol. Chem., 293, 2018
1LDN
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BU of 1ldn by Molmil
STRUCTURE OF A TERNARY COMPLEX OF AN ALLOSTERIC LACTATE DEHYDROGENASE FROM BACILLUS STEAROTHERMOPHILUS AT 2.5 ANGSTROMS RESOLUTION
Descriptor: 1,6-di-O-phosphono-beta-D-fructofuranose, L-LACTATE DEHYDROGENASE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
Authors:Wigley, D.B, Gamblin, S.J, Turkenburg, J.P, Dodson, E.J, Piontek, K, Muirhead, H, Holbrook, J.J.
Deposit date:1991-11-19
Release date:1994-01-31
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure of a ternary complex of an allosteric lactate dehydrogenase from Bacillus stearothermophilus at 2.5 A resolution.
J.Mol.Biol., 223, 1992
1O0S
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BU of 1o0s by Molmil
Crystal Structure of Ascaris suum Malic Enzyme Complexed with NADH
Descriptor: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, NAD-dependent malic enzyme, TARTRONATE
Authors:Rao, G.S, Coleman, D.E, Karsten, W.E, Cook, P.F, Harris, B.G.
Deposit date:2003-02-24
Release date:2003-07-22
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystallographic studies on Ascaris suum NAD-malic enzyme bound to reduced cofactor and identification of an effector site.
J.Biol.Chem., 278, 2003
1LLU
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BU of 1llu by Molmil
THE TERNARY COMPLEX OF PSEUDOMONAS AERUGINOSA ALCOHOL DEHYDROGENASE WITH ITS COENZYME AND WEAK SUBSTRATE
Descriptor: 1,2-ETHANEDIOL, Alcohol Dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
Authors:Levin, I, Meiri, G, Peretz, M, Frolow, F, Burstein, Y.
Deposit date:2002-04-30
Release date:2003-11-11
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The ternary complex of Pseudomonas aeruginosa alcohol dehydrogenase with NADH and ethylene glycol.
Protein Sci., 13, 2004
1O02
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BU of 1o02 by Molmil
Human mitochondrial aldehyde dehydrogenase complexed with NADH in the presence of Mg2+
Descriptor: 1,2-ETHANEDIOL, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, Aldehyde dehydrogenase, ...
Authors:Perez-Miller, S.J, Hurley, T.D.
Deposit date:2003-02-20
Release date:2003-06-24
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Coenzyme isomerization is integral to catalysis in aldehyde dehydrogenase
Biochemistry, 42, 2003
1L7E
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BU of 1l7e by Molmil
Crystal Structure of R. rubrum Transhydrogenase Domain I with Bound NADH
Descriptor: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, nicotinamide nucleotide Transhydrogenase, subunit alpha 1
Authors:Prasad, G.S, Wahlberg, M, Sridhar, V, Yamaguchi, M, Hatefi, Y, Stout, C.D.
Deposit date:2002-03-14
Release date:2002-11-20
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal Structures of Transhydrogenase Domain I with and without Bound NADH
Biochemistry, 41, 2002
7ESL
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BU of 7esl by Molmil
Crystal structure of a L-rhamnose-alpha-1,4-D-glucuronate lyase from Fusarium oxysporum 12S, N247A N-glycan free form
Descriptor: L-rhamnose-alpha-1,4-D-glucuronate lyase, SODIUM ION
Authors:Kondo, T, Arakawa, T, Fushinobu, S, Sakamoto, T.
Deposit date:2021-05-11
Release date:2021-08-04
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structural and functional analysis of gum arabic l-rhamnose-alpha-1,4-d-glucuronate lyase establishes a novel polysaccharide lyase family.
J.Biol.Chem., 297, 2021
2VDG
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BU of 2vdg by Molmil
Barley Aldose Reductase 1 complex with butanol
Descriptor: 1-BUTANOL, ALDOSE REDUCTASE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Olsen, J.G, Pedersen, L, Christensen, C.L, Olsen, O, Henriksen, A.
Deposit date:2007-10-08
Release date:2008-03-11
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Barley Aldose Reductase: Structure, Cofactor Binding, and Substrate Recognition in the Aldo/Keto Reductase 4C Family.
Proteins: Struct., Funct., Bioinf., 71, 2008
2UZ1
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BU of 2uz1 by Molmil
1.65 Angstrom structure of Benzaldehyde Lyase complexed with 2-methyl- 2,4-pentanediol
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, BENZALDEHYDE LYASE, THIAMINE DIPHOSPHATE
Authors:Maraite, A, Schmidt, T, Ansorge-Schumacher, M.B, Brzozowski, A.M, Grogan, G.
Deposit date:2007-04-23
Release date:2007-07-24
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structure of the Thdp-Dependent Enzyme Benzaldehyde Lyase Refined to 1.65 A Resolution.
Acta Crystallogr.,Sect.F, 63, 2007
5DZO
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BU of 5dzo by Molmil
Crystal structure of human T-cell immunoglobulin and mucin domain protein 1
Descriptor: Hepatitis A virus cellular receptor 1, NITRATE ION, SODIUM ION
Authors:Yuan, S, Rao, Z, Wang, X.
Deposit date:2015-09-25
Release date:2015-11-25
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.301 Å)
Cite:TIM-1 acts a dual-attachment receptor for Ebolavirus by interacting directly with viral GP and the PS on the viral envelope.
Protein Cell, 6, 2015
2IGX
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BU of 2igx by Molmil
Achiral, Cheap and Potent Inhibitors of Plasmepsins II
Descriptor: 5-PENTYL-N-{[4'-(PIPERIDIN-1-YLCARBONYL)BIPHENYL-4-YL]METHYL}-N-[1-(PYRIDIN-2-YLMETHYL)PIPERIDIN-4-YL]PYRIDINE-2-CARBOXAMIDE, Plasmepsin-2
Authors:Prade, L.
Deposit date:2006-09-25
Release date:2006-11-28
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Achiral, Cheap, and Potent Inhibitors of Plasmepsins I, II, and IV.
Chemmedchem, 1, 2006
1LLP
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BU of 1llp by Molmil
LIGNIN PEROXIDASE (ISOZYME H2) PI 4.15
Descriptor: 2-acetamido-2-deoxy-alpha-D-galactopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Choinowski, T.H, Piontek, K, Glumoff, T.
Deposit date:1995-11-09
Release date:1996-03-08
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The crystal structure of lignin peroxidase at 1.70 A resolution reveals a hydroxy group on the cbeta of tryptophan 171: a novel radical site formed during the redox cycle.
J.Mol.Biol., 286, 1999
4QJZ
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BU of 4qjz by Molmil
Pneumocystis carinii dihydrofolate reductase ternary complex with NADPH and the inhibitor 24, (N~6~-METHYL-N~6~-(NAPHTHALEN-1-YL)PYRIDO[2,3-D]PYRIMIDINE-2,4,6-TRIAMINE)
Descriptor: Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, N~6~-methyl-N~6~-(naphthalen-1-yl)pyrido[2,3-d]pyrimidine-2,4,6-triamine
Authors:Cody, V.
Deposit date:2014-06-05
Release date:2015-06-10
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:Structure-activity correlations for three pyrido[2,3-d]pyrimidine antifolates binding to human and Pneumocystis carinii dihydrofolate reductase.
Acta Crystallogr F Struct Biol Commun, 71, 2015
3T89
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BU of 3t89 by Molmil
Crystal structure of Escherichia coli MenB, the 1,4-dihydroxy-2-naphthoyl-CoA synthase in vitamin K2 biosynthesis
Descriptor: 1,4-Dihydroxy-2-naphthoyl-CoA synthase, GLYCEROL, MALONATE ION
Authors:Li, H.-J, Li, X, Liu, N, Zhang, H, Truglio, J, Mishra, S, Kisker, C, Garcia-Diaz, M, Tonge, P.
Deposit date:2011-08-01
Release date:2011-08-24
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.949 Å)
Cite:Mechanism of the Intramolecular Claisen Condensation Reaction Catalyzed by MenB, a Crotonase Superfamily Member.
Biochemistry, 50, 2011
1OBF
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BU of 1obf by Molmil
The crystal structure of Glyceraldehyde 3-phosphate Dehydrogenase from Alcaligenes xylosoxidans at 1.7A resolution.
Descriptor: GLYCERALDEHYDE 3-PHOSPHATE DEHYDROGENASE, POTASSIUM ION, SULFATE ION, ...
Authors:Antonyuk, S.V, Eady, R.R, Strange, R.W, Hasnain, S.S.
Deposit date:2003-01-30
Release date:2003-06-12
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The Structure of Glyceraldehyde 3-Phosphate Dehydrogenase from Alcaligenes Xylosoxidans at 1.7 A Resolution
Acta Crystallogr.,Sect.D, 59, 2003
5KOR
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BU of 5kor by Molmil
Arabidopsis thaliana fucosyltransferase 1 (FUT1) in complex with GDP and a xylo-oligossacharide
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Rocha, J, de Sanctis, D, Breton, C.
Deposit date:2016-07-01
Release date:2016-10-12
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure of Arabidopsis thaliana FUT1 Reveals a Variant of the GT-B Class Fold and Provides Insight into Xyloglucan Fucosylation.
Plant Cell, 28, 2016
4NMH
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BU of 4nmh by Molmil
11-beta-HSD1 in complex with a 3,3-Di-methyl-azetidin-2-one
Descriptor: (4S)-4-(2-methoxyphenyl)-3,3-dimethyl-1-[3-(methylsulfonyl)phenyl]azetidin-2-one, Corticosteroid 11-beta-dehydrogenase isozyme 1, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:McCoull, W, Augustin, M, Blake, C, Ertan, A, Kilgour, E.K, Krapp, S, Moore, J.E, Newcombe, N.J, Packer, M.J, Rees, A, Revill, J, Scott, J.S, Selmi, N, Gerhardt, S, Ogg, D.J, Steinbacher, S, Whittamore, P.R.O.
Deposit date:2013-11-15
Release date:2014-03-26
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Identification and optimisation of 3,3-dimethyl-azetidin-2-ones as potent and selective inhibitors of 11 beta-hydroxysteroid dehydrogenase type 1 (11-beta-HSD1)
TO BE PUBLISHED
1D4C
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BU of 1d4c by Molmil
CRYSTAL STRUCTURE OF THE UNCOMPLEXED FORM OF THE FLAVOCYTOCHROME C FUMARATE REDUCTASE OF SHEWANELLA PUTREFACIENS STRAIN MR-1
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, FLAVOCYTOCHROME C FUMARATE REDUCTASE, HEME C, ...
Authors:Leys, D, Tsapin, A.S, Meyer, T.E, Cusanovich, M.A, Van Beeumen, J.J.
Deposit date:1999-10-03
Release date:1999-12-01
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structure and mechanism of the flavocytochrome c fumarate reductase of Shewanella putrefaciens MR-1.
Nat.Struct.Biol., 6, 1999

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