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4BNZ
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BU of 4bnz by Molmil
Crystal structure of 3-oxoacyl-(acyl-carrier-protein) reductase (FabG) from Pseudomonas aeruginosa in complex with 1-methyl-N-phenylindole- 3-carboxamide at 2.5A resolution
Descriptor: 1-methyl-N-phenyl-indole-3-carboxamide, 3-OXOACYL-[ACYL-CARRIER-PROTEIN] REDUCTASE FABG
Authors:Cukier, C.D, Schnell, R, Lindqvist, Y, Schneider, G.
Deposit date:2013-05-17
Release date:2013-09-18
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Discovery of an Allosteric Inhibitor Binding Site in 3-Oxo-Acyl-Acp Reductase from Pseudomonas Aeruginosa
Acs Chem.Biol., 8, 2013
3V9K
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BU of 3v9k by Molmil
Crystal structure of mouse 1-pyrroline-5-carboxylate dehydrogenase complexed with the product glutamate
Descriptor: Delta-1-pyrroline-5-carboxylate dehydrogenase, mitochondrial, GLUTAMIC ACID, ...
Authors:Tanner, J.J, Srivastava, D.
Deposit date:2011-12-27
Release date:2012-05-02
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.501 Å)
Cite:The Three-Dimensional Structural Basis of Type II Hyperprolinemia.
J.Mol.Biol., 420, 2012
3V9L
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BU of 3v9l by Molmil
Crystal structure of mouse 1-pyrroline-5-carboxylate dehydrogenase complexed with NAD+
Descriptor: Delta-1-pyrroline-5-carboxylate dehydrogenase, mitochondrial, GLYCEROL, ...
Authors:Tanner, J.J, Srivastava, D.
Deposit date:2011-12-27
Release date:2012-05-02
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.502 Å)
Cite:The Three-Dimensional Structural Basis of Type II Hyperprolinemia.
J.Mol.Biol., 420, 2012
2B1O
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BU of 2b1o by Molmil
Solution Structure of Ca2+-bound DdCAD-1
Descriptor: CALCIUM ION, Calcium-dependent cell adhesion molecule-1
Authors:Lin, Z, Sriskanthadevan, S, Huang, H.B, Siu, C.H, Yang, D.W.
Deposit date:2005-09-16
Release date:2006-09-26
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Solution structures of the adhesion molecule DdCAD-1 reveal new insights into Ca(2+)-dependent cell-cell adhesion
Nat.Struct.Mol.Biol., 13, 2006
3QW2
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BU of 3qw2 by Molmil
L-myo-inositol 1-phosphate synthase from Archaeoglobus mutant N255A
Descriptor: GLYCEROL, Myo-inositol-1-phosphate synthase (Ino1), NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
Authors:Neelon, K, Roberts, M.F, Stec, B.
Deposit date:2011-02-26
Release date:2012-01-11
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.59 Å)
Cite:Crystal structure of a trapped catalytic intermediate suggests that forced atomic proximity drives the catalysis of mIPS.
Biophys.J., 101, 2011
1QTE
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BU of 1qte by Molmil
CRYSTAL STRUCTURE OF THE 70 KDA SOLUBLE LYTIC TRANSGLYCOSYLASE SLT70 FROM ESCHERICHIA COLI AT 1.90 A RESOLUTION IN COMPLEX WITH A 1,6-ANHYDROMUROTRIPEPTIDE
Descriptor: 2-(2-ACETYLAMINO-4-HYDROXY-6,8-DIOXA-BICYCLO[3.2.1]OCT-3-YLOXY)-PROPIONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, ...
Authors:van Asselt, E.J, Thunnissen, A.-M.W.H, Dijkstra, B.W.
Deposit date:1999-06-27
Release date:1999-08-31
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:High resolution crystal structures of the Escherichia coli lytic transglycosylase Slt70 and its complex with a peptidoglycan fragment.
J.Mol.Biol., 291, 1999
3QVW
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BU of 3qvw by Molmil
L-myo-inositol 1-phosphate synthase from Archaeoglobus fulgidus mutant K278A
Descriptor: GLYCEROL, Myo-inositol-1-phosphate synthase (Ino1), NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
Authors:Neelon, K, Roberts, M.F, Stec, B.
Deposit date:2011-02-26
Release date:2012-01-11
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of a trapped catalytic intermediate suggests that forced atomic proximity drives the catalysis of mIPS.
Biophys.J., 101, 2011
3VPH
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BU of 3vph by Molmil
L-lactate dehydrogenase from Thermus caldophilus GK24 complexed with oxamate, NADH and FBP
Descriptor: 1,6-di-O-phosphono-beta-D-fructofuranose, GLYCEROL, L-lactate dehydrogenase, ...
Authors:Arai, K, Ohno, T, Miyanaga, A, Fushinobu, S, Taguchi, H.
Deposit date:2012-03-01
Release date:2013-03-06
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:The core of allosteric motion in Thermus caldophilus L-lactate dehydrogenase.
J.Biol.Chem., 2014
1GZB
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BU of 1gzb by Molmil
PEROXIDASE
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, PEROXIDASE, ...
Authors:Fukuyama, K, Kunishima, N, Amada, F.
Deposit date:1996-11-13
Release date:1997-03-12
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Pentacoordination of the heme iron of Arthromyces ramosus peroxidase shown by a 1.8 A resolution crystallographic study at pH 4.5.
FEBS Lett., 378, 1996
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
2OXI
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BU of 2oxi by Molmil
REFINED CRYSTAL STRUCTURE OF CU-SUBSTITUTED ALCOHOL DEHYDROGENASE AT 2.1 ANGSTROMS RESOLUTION
Descriptor: ALCOHOL DEHYDROGENASE, COPPER (II) ION, DIMETHYL SULFOXIDE, ...
Authors:Al-Karadaghi, S, Cedergren-Zeppezauer, E.S.
Deposit date:1993-11-08
Release date:1994-01-31
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Refined structure of Cu-substituted alcohol dehydrogenase at 2.1 A resolution.
Acta Crystallogr.,Sect.D, 51, 1995
3NE4
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BU of 3ne4 by Molmil
1.8 Angstrom structure of intact native wild-type alpha-1-antitrypsin
Descriptor: Alpha-1-antitrypsin
Authors:Patschull, A.O.M, Gooptu, B, Segu, L.
Deposit date:2010-06-08
Release date:2011-12-14
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Therapeutic target-site variability in [alpha]1-antitrypsin characterized at high resolution
Acta Crystallogr.,Sect.F, 67, 2011
1YHP
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BU of 1yhp by Molmil
Solution Structure of Ca2+-free DdCAD-1
Descriptor: Calcium-dependent cell adhesion molecule-1
Authors:Lin, Z, Huang, H.B, Siu, C.H, Yang, D.W.
Deposit date:2005-01-10
Release date:2006-01-31
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Solution structures of the adhesion molecule DdCAD-1 reveal new insights into Ca(2+)-dependent cell-cell adhesion
Nat.Struct.Mol.Biol., 13, 2006
2CMD
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BU of 2cmd by Molmil
THE CRYSTAL STRUCTURE OF E.COLI MALATE DEHYDROGENASE: A COMPLEX OF THE APOENZYME AND CITRATE AT 1.87 ANGSTROMS RESOLUTION
Descriptor: CITRIC ACID, MALATE DEHYDROGENASE
Authors:Hall, M.D, Banaszak, L.J.
Deposit date:1992-09-23
Release date:1993-10-31
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Crystal structure of Escherichia coli malate dehydrogenase. A complex of the apoenzyme and citrate at 1.87 A resolution.
J.Mol.Biol., 226, 1992
2CYP
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BU of 2cyp by Molmil
Crystal structure of yeast cytochrome C peroxidase refined at 1.7-angstroms resolution
Descriptor: CYTOCHROME C PEROXIDASE, OXYGEN ATOM, PROTOPORPHYRIN IX CONTAINING FE
Authors:Finzel, B.C, Poulos, T.L, Kraut, J.
Deposit date:1985-08-27
Release date:1986-01-21
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structure of yeast cytochrome c peroxidase refined at 1.7-A resolution
J.Biol.Chem., 259, 1984
4HX5
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BU of 4hx5 by Molmil
Crystal structure of 11 beta-HSD1 in complex with SAR184841
Descriptor: 4-[5-(4-tert-butylpiperazin-1-yl)pyridin-2-yl]-N-[(1R,2S,3S,5S,7s)-5-carbamoyltricyclo[3.3.1.1~3,7~]dec-2-yl]-3,4-dihydroquinoxaline-1(2H)-carboxamide, Corticosteroid 11-beta-dehydrogenase isozyme 1, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Loenze, P, Schimanski-Breves, S, Engel, C.K.
Deposit date:2012-11-09
Release date:2013-05-08
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:Discovery of SAR184841, a potent and long-lasting inhibitor of 11beta-hydroxysteroid dehydrogenase type 1, active in a physiopathological animal model of T2D
Bioorg.Med.Chem.Lett., 23, 2013
2CS7
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BU of 2cs7 by Molmil
1.2 A Crystal structure of the S. pneumoniae PhtA histidine triad domain a novel zinc binding fold
Descriptor: ZINC ION, pneumococcal histidine triad A protein
Authors:Riboldi-Tunnicliffe, A, Isaacs, N.W, Mitchell, T.J.
Deposit date:2005-05-20
Release date:2006-02-14
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:1.2 Angstroms crystal structure of the S. pneumoniae PhtA histidine triad domain a novel zinc binding fold.
Febs Lett., 579, 2005
1HSR
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BU of 1hsr by Molmil
BINDING MODE OF BENZHYDROXAMIC ACID TO ARTHROMYCES RAMOSUS PEROXIDASE
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BENZHYDROXAMIC ACID, CALCIUM ION, ...
Authors:Fukuyama, K, Itakura, H.
Deposit date:1997-07-01
Release date:1998-07-01
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Binding mode of benzhydroxamic acid to Arthromyces ramosus peroxidase shown by X-ray crystallographic analysis of the complex at 1.6 A resolution.
FEBS Lett., 412, 1997
5EJZ
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BU of 5ejz by Molmil
Bacterial Cellulose Synthase Product-Bound State
Descriptor: 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2-deoxy-2-fluoro-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose, 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), ...
Authors:Morgan, J.L.W, Zimmer, J.
Deposit date:2015-11-02
Release date:2016-03-09
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.94 Å)
Cite:Observing cellulose biosynthesis and membrane translocation in crystallo.
Nature, 531, 2016
3MS5
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BU of 3ms5 by Molmil
Crystal Structure of Human gamma-butyrobetaine,2-oxoglutarate dioxygenase 1 (BBOX1)
Descriptor: 1,2-ETHANEDIOL, 2-(2-carboxyethyl)-1,1,1-trimethyldiazanium, Gamma-butyrobetaine dioxygenase, ...
Authors:Krojer, T, Kochan, G, McDonough, M.A, von Delft, F, Leung, I.K.H, Henry, L, Claridge, T.D.W, Pilka, E, Ugochukwu, E, Muniz, J, Filippakopoulos, P, Bountra, C, Arrowsmith, C.H, Weigelt, J, Edwards, A, Kavanagh, K.L, Schofield, C.J, Oppermann, U, Structural Genomics Consortium (SGC)
Deposit date:2010-04-29
Release date:2010-05-12
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Structural and mechanistic studies on gamma-butyrobetaine hydroxylase.
Chem. Biol., 17, 2010
3MVR
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BU of 3mvr by Molmil
Crystal Structure of cytochrome P450 2B4-H226Y in a closed conformation
Descriptor: 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, Cytochrome P450 2B4, PROTOPORPHYRIN IX CONTAINING FE
Authors:Shah, M.B, Stout, C.D, Halpert, J.R.
Deposit date:2010-05-04
Release date:2010-09-29
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Plasticity of Cytochrome P450 2B4 as Investigated by Hydrogen-Deuterium Exchange Mass Spectrometry and X-ray Crystallography.
J.Biol.Chem., 285, 2010
4PH9
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BU of 4ph9 by Molmil
The structure of Ibuprofen bound to cyclooxygenase-2
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Orlando, B.J, Lucido, M.J, Malkowski, M.G.
Deposit date:2014-05-05
Release date:2014-11-26
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:The structure of ibuprofen bound to cyclooxygenase-2.
J.Struct.Biol., 189, 2015
2G5W
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BU of 2g5w by Molmil
X-ray crystal structure of Arabidopsis thaliana 12-oxophytodienoate reductase isoform 3 (AtOPR3) in complex with 8-iso prostaglandin A1 and its cofactor, flavin mononucleotide.
Descriptor: (8S,12S)-15S-HYDROXY-9-OXOPROSTA-10Z,13E-DIEN-1-OIC ACID, 12-oxophytodienoate reductase 3, FLAVIN MONONUCLEOTIDE
Authors:Han, B.W, Malone, T.E, Bingman, C.A, Wesenberg, G.E, Phillips Jr, G.N, Fox, B.G, Center for Eukaryotic Structural Genomics (CESG)
Deposit date:2006-02-23
Release date:2006-04-04
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.576 Å)
Cite:Crystal structure of Arabidopsis thaliana 12-oxophytodienoate reductase isoform 3 in complex with 8-iso prostaglandin A(1).
Proteins, 79, 2011
3MY6
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BU of 3my6 by Molmil
Crystal Structure of the complex of type 1 ribosome inactivating protein with 7-methylguanine at 2.65 A resolution
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-amino-7-methyl-1,7-dihydro-6H-purin-6-one, Ribosome-inactivating protein momordin I
Authors:Kushwaha, G.S, Singh, N, Sinha, M, Bhushan, A, Kaur, P, Sharma, S, Singh, T.P.
Deposit date:2010-05-10
Release date:2010-08-04
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Crystal Structure of the complex of type 1 ribosome inactivating protein with 7-methylguanine at 2.65 A resolution
To be Published
4BO2
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BU of 4bo2 by Molmil
Crystal structure of 3-oxoacyl-(acyl-carrier-protein) reductase (FabG) from Pseudomonas aeruginosa in complex with 1-(1-ethylbenzimidazol-2- yl)-3-(2-methoxyphenyl)urea at 1.9A resolution
Descriptor: 1-(1-ethylbenzimidazol-2-yl)-3-(2-methoxyphenyl)urea, 3-OXOACYL-[ACYL-CARRIER-PROTEIN] REDUCTASE FABG
Authors:Cukier, C.D, Schnell, R, Lindqvist, Y, Schneider, G.
Deposit date:2013-05-18
Release date:2013-09-18
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Discovery of an Allosteric Inhibitor Binding Site in 3-Oxo-Acyl-Acp Reductase from Pseudomonas Aeruginosa
Acs Chem.Biol., 8, 2013

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