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7C5G
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BU of 7c5g by Molmil
Crystal Structure of C150S mutant of Glyceraldehyde-3-phosphate-dehydrogenase1 from Escherichia coli complexed with PO4 at 1.98 Angstrom resolution
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Glyceraldehyde-3-phosphate dehydrogenase, ...
Authors:Zhang, L, Liu, M.R, Yao, Y.C, Bostrom, I.K, Wang, Y.D, Chen, A.Q, Li, J.X, Gu, S.H, Ji, C.N.
Deposit date:2020-05-20
Release date:2021-05-26
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Novel Structures of Type 1 Glyceraldehyde-3-phosphate Dehydrogenase from Escherichia coli Provide New Insights into the Mechanism of Generation of 1,3-Bisphosphoglyceric Acid.
Biomolecules, 11, 2021
7C5J
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BU of 7c5j by Molmil
Crystal Structure of C150A mutant of Glyceraldehyde-3-phosphate dehydrogenase1 from Escherichia coli at 1.98 Angstrom resolution
Descriptor: 1,2-ETHANEDIOL, Glyceraldehyde-3-phosphate dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Zhang, L, Liu, M.R, Bao, L.Y, Yao, Y.C, Bostrom, I.K, Wang, Y.D, Chen, A.Q, Li, J.X, Gu, S.H, Ji, C.N.
Deposit date:2020-05-20
Release date:2021-05-26
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Novel Structures of Type 1 Glyceraldehyde-3-phosphate Dehydrogenase from Escherichia coli Provide New Insights into the Mechanism of Generation of 1,3-Bisphosphoglyceric Acid.
Biomolecules, 11, 2021
7C5L
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BU of 7c5l by Molmil
Crystal Structure of C150S mutant of Glyceraldehyde-3-phosphate-dehydrogenase1 from Escherichia coli at 2.1 Angstrom resolution
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Glyceraldehyde-3-phosphate dehydrogenase, ...
Authors:Zhang, L, Liu, M.R, Bao, L.Y, Yao, Y.C, Bostrom, I.K, Wang, Y.D, Chen, A.Q, Li, J.X, Gu, S.H, Ji, C.N.
Deposit date:2020-05-20
Release date:2021-05-26
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Novel Structures of Type 1 Glyceraldehyde-3-phosphate Dehydrogenase from Escherichia coli Provide New Insights into the Mechanism of Generation of 1,3-Bisphosphoglyceric Acid.
Biomolecules, 11, 2021
1WPQ
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BU of 1wpq by Molmil
Ternary Complex Of Glycerol 3-phosphate Dehydrogenase 1 with NAD and dihydroxyactone
Descriptor: 1,3-DIHYDROXYACETONEPHOSPHATE, Glycerol-3-phosphate dehydrogenase [NAD+], cytoplasmic, ...
Authors:Ou, X, Han, X, Rao, Z.
Deposit date:2004-09-10
Release date:2006-04-11
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal Structures of Human Glycerol 3-phosphate Dehydrogenase 1 (GPD1)
J.Mol.Biol., 357, 2006
5UCN
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BU of 5ucn by Molmil
Class II fructose-1,6-bisphosphate aldolase E142A variant of Helicobacter pylori with DHAP
Descriptor: 1,3-DIHYDROXYACETONEPHOSPHATE, Fructose-bisphosphate aldolase, SODIUM 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 (1.67 Å)
Cite:Active site remodeling during the catalytic cycle in metal-dependent fructose-1,6-bisphosphate aldolases.
J. Biol. Chem., 293, 2018
1CP6
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BU of 1cp6 by Molmil
1-BUTANEBORONIC ACID BINDING TO AEROMONAS PROTEOLYTICA AMINOPEPTIDASE
Descriptor: 1-BUTANE BORONIC ACID, PROTEIN (AMINOPEPTIDASE), ZINC ION
Authors:Depaola, C.C, Bennett, B, Holz, R.C, Ringe, D, Petsko, G.A.
Deposit date:1999-06-08
Release date:1999-06-17
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:1-Butaneboronic acid binding to Aeromonas proteolytica aminopeptidase: a case of arrested development.
Biochemistry, 38, 1999
2WD8
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BU of 2wd8 by Molmil
PTERIDINE REDUCTASE 1 (PTR1) FROM TRYPANOSOMA BRUCEI IN COMPLEX WITH NADP AND DDD00071204
Descriptor: 1-(3,4-DICHLOROBENZYL)-7-PHENYL-1H-BENZIMIDAZOL-2-AMINE, CHLORIDE ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Robinson, D.A, Wyatt, P.G, Spinks, D, Brenk, R.
Deposit date:2009-03-20
Release date:2009-06-30
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:One Scaffold, Three Binding Modes: Novel and Selective Pteridine Reductase 1 Inhibitors Derived from Fragment Hits Discovered by Virtual Screening.
J.Med.Chem., 52, 2009
5VJD
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BU of 5vjd by Molmil
Class II fructose-1,6-bisphosphate aldolase of Escherichia coli with DHAP
Descriptor: 1,3-DIHYDROXYACETONEPHOSPHATE, Fructose-bisphosphate aldolase class 2, SODIUM ION, ...
Authors:Sygusch, J, Coincon, M.
Deposit date:2017-04-19
Release date:2018-04-11
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.701 Å)
Cite:Active site remodeling during the catalytic cycle in metal-dependent fructose-1,6-bisphosphate aldolases.
J. Biol. Chem., 293, 2018
7KH6
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BU of 7kh6 by Molmil
1.45 Angstrom resolution internal aldimine crystal structure of the beta-Q114A mutant of TryptophanSynthase in complex with N-(4'-trifluoromethoxybenzenesulfonyl)-2-amino-1-ethylphosphate (F9F) at the enzyme alpha-site and cesium ion at the metal coordination site
Descriptor: 1,2-ETHANEDIOL, 2-({[4-(TRIFLUOROMETHOXY)PHENYL]SULFONYL}AMINO)ETHYL DIHYDROGEN PHOSPHATE, CESIUM ION, ...
Authors:Hilario, E, Dunn, M.F, Mueller, L.J.
Deposit date:2020-10-20
Release date:2021-10-27
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:1.45 Angstrom resolution internal aldimine crystal structure of the beta-Q114A mutant of Tryptophan Synthase in complex with N-(4'-trifluoromethoxybenzenesulfonyl)-2-amino-1-ethylphosphate (F9F) at the enzyme alpha-site and cesium ion at the metal coordination site.
To be Published
7C7K
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BU of 7c7k by Molmil
Crystal Structure of Thioacyl-Glyceraldehyde-3-phosphate dehydrogenase 1(GAPDH 1) from Escherichia coli at 1.77 Angstrom resolution
Descriptor: 1,2-ETHANEDIOL, ACETONE, DI(HYDROXYETHYL)ETHER, ...
Authors:Zhang, L, Liu, M.R, Bao, L.Y, Yao, Y.C, Bostrom, I.K, Wang, Y.D, Chen, A.Q, Li, J.X, Gu, S.H, Ji, C.N.
Deposit date:2020-05-26
Release date:2021-05-26
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Novel Structures of Type 1 Glyceraldehyde-3-phosphate Dehydrogenase from Escherichia coli Provide New Insights into the Mechanism of Generation of 1,3-Bisphosphoglyceric Acid.
Biomolecules, 11, 2021
4ROX
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BU of 4rox by Molmil
Crystal Structure of P Domain of Hawaii Norovirus (GII.1)
Descriptor: 1,2-ETHANEDIOL, Capsid protein VP1
Authors:Singh, B.K, Hansman, G.S.
Deposit date:2014-10-29
Release date:2016-05-25
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Structural Constraints on Human Norovirus Binding to Histo-Blood Group Antigens.
mSphere, 1, 2016
1JKI
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BU of 1jki by Molmil
myo-Inositol-1-phosphate Synthase Complexed with an Inhibitor, 2-deoxy-glucitol-6-phosphate
Descriptor: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 2-DEOXY-GLUCITOL-6-PHOSPHATE, AMMONIUM ION, ...
Authors:Stein, A.J, Geiger, J.H.
Deposit date:2001-07-12
Release date:2002-04-10
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The crystal structure and mechanism of 1-L-myo-inositol- 1-phosphate synthase
J.Biol.Chem., 277, 2002
4ELS
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BU of 4els by Molmil
Structure of E. Coli. 1,4-dihydroxy-2- naphthoyl coenzyme A synthases (MENB) in complex with bicarbonate
Descriptor: 1,2-ETHANEDIOL, 1,4-Dihydroxy-2-naphthoyl-CoA synthase, BICARBONATE ION, ...
Authors:Sun, Y.R, Song, H.G, Li, J, Jiang, M, Li, Y, Zhou, J.H, Guo, Z.H.
Deposit date:2012-04-11
Release date:2012-06-06
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.303 Å)
Cite:Active site binding and catalytic role of bicarbonate in 1,4-dihydroxy-2-naphthoyl coenzyme A synthases from vitamin K biosynthetic pathways
Biochemistry, 51, 2012
1Q0Q
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BU of 1q0q by Molmil
Crystal structure of DXR in complex with the substrate 1-deoxy-D-xylulose-5-phosphate
Descriptor: 1-DEOXY-D-XYLULOSE-5-PHOSPHATE, 1-deoxy-D-xylulose 5-phosphate reductoisomerase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Mac Sweeney, A, Lange, R, D'Arcy, A, Douangamath, A, Surivet, J.-P, Oefner, C.
Deposit date:2003-07-17
Release date:2004-07-20
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The crystal structure of E.coli 1-deoxy-D-xylulose-5-phosphate reductoisomerase in a ternary complex with the antimalarial compound fosmidomycin and NADPH reveals a tight-binding closed enzyme conformation.
J.Mol.Biol., 345, 2005
4HEZ
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BU of 4hez by Molmil
Activity Enhancers of H64A Variant of Human Carbonic Anhydrase II Possess Multiple Binding Sites within and around the Enzyme Structure
Descriptor: 1-METHYLIMIDAZOLE, Carbonic anhydrase 2, ZINC ION
Authors:Aggarwal, M, McKenna, R.
Deposit date:2012-10-04
Release date:2013-10-23
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.3446 Å)
Cite:Structural insight into activity enhancement and inhibition of H64A carbonic anhydrase II by imidazoles.
IUCrJ, 1, 2014
5UCP
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BU of 5ucp by Molmil
Class II fructose-1,6-bisphosphate aldolase E142A variant of Helicobacter pylori with FBP and cleavage products
Descriptor: 1,3-DIHYDROXYACETONEPHOSPHATE, 1,6-di-O-phosphono-D-fructose, Fructose-bisphosphate aldolase, ...
Authors:Jacques, B, Sygusch, J.
Deposit date:2016-12-22
Release date:2018-04-11
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.444 Å)
Cite:Active site remodeling during the catalytic cycle in metal-dependent fructose-1,6-bisphosphate aldolases.
J. Biol. Chem., 293, 2018
4ELX
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BU of 4elx by Molmil
Structure of apo E.coli. 1,4-dihydroxy-2- naphthoyl CoA synthases with Cl
Descriptor: 1,2-ETHANEDIOL, 1,4-Dihydroxy-2-naphthoyl-CoA synthase, CHLORIDE ION, ...
Authors:Sun, Y.R, Song, H.G, Li, J, Jiang, M, Li, Y, Zhou, J.H, Guo, Z.H.
Deposit date:2012-04-11
Release date:2012-06-06
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.191 Å)
Cite:Active site binding and catalytic role of bicarbonate in 1,4-dihydroxy-2-naphthoyl coenzyme A synthases from vitamin K biosynthetic pathways
Biochemistry, 51, 2012
3IJ3
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BU of 3ij3 by Molmil
1.8 Angstrom Resolution Crystal Structure of Cytosol Aminopeptidase from Coxiella burnetii
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Cytosol aminopeptidase, ...
Authors:Minasov, G, Halavaty, A, Shuvalova, L, Dubrovska, I, Winsor, J, Papazisi, L, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2009-08-03
Release date:2009-08-11
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:1.8 Angstrom Resolution Crystal Structure of Cytosol Aminopeptidase from Coxiella burnetii
TO BE PUBLISHED
7DN7
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BU of 7dn7 by Molmil
Crystal structure of ternary complexes of lactoperoxidase with hydrogen peroxide at 1.70 A resolution
Descriptor: 1,2-ETHANEDIOL, 1-(OXIDOSULFANYL)METHANAMINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Singh, P.K, Singh, A.K, Singh, R.P, Kaur, P, Sharma, S, Singh, T.P.
Deposit date:2020-12-09
Release date:2020-12-30
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structure of a ternary complex of lactoperoxidase with iodide and hydrogen peroxide at 1.77 angstrom resolution.
J.Inorg.Biochem., 220, 2021
7DLQ
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BU of 7dlq by Molmil
CRYSTAL STRUCTURE OF THE COMPLEX OF LACTOPEROXIDASE WITH HYDROGEN PEROXIDE AT 1.77A RESOLUTION
Descriptor: 1,2-ETHANEDIOL, 1-(OXIDOSULFANYL)METHANAMINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Singh, P.K, Sharma, P, Bhushan, A, Sharma, S, Singh, T.P.
Deposit date:2020-11-29
Release date:2020-12-16
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.773 Å)
Cite:Structure of a ternary complex of lactoperoxidase with iodide and hydrogen peroxide at 1.77 angstrom resolution.
J.Inorg.Biochem., 220, 2021
7DN6
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BU of 7dn6 by Molmil
Crystal structure of bovine lactoperoxidase with hydrogen peroxide trapped between heme iron and his109 at 1.69 A resolution
Descriptor: 1,2-ETHANEDIOL, 1-(OXIDOSULFANYL)METHANAMINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Singh, P.K, Singh, A.K, Kaur, P, Sharma, S, Singh, T.P.
Deposit date:2020-12-08
Release date:2020-12-30
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.696 Å)
Cite:Structure of a ternary complex of lactoperoxidase with iodide and hydrogen peroxide at 1.77 angstrom resolution.
J.Inorg.Biochem., 220, 2021
3INL
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BU of 3inl by Molmil
Human Mitochondrial Aldehyde Dehydrogenase Asian Variant, ALDH2*2, complexed with agonist Alda-1
Descriptor: 1,2-ETHANEDIOL, Aldehyde dehydrogenase, mitochondrial, ...
Authors:Perez-Miller, S, Hurley, T.D.
Deposit date:2009-08-12
Release date:2010-01-12
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.862 Å)
Cite:Alda-1 is an agonist and chemical chaperone for the common human aldehyde dehydrogenase 2 variant.
Nat.Struct.Mol.Biol., 17, 2010
3INJ
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BU of 3inj by Molmil
Human Mitochondrial Aldehyde Dehydrogenase complexed with agonist Alda-1
Descriptor: 1,2-ETHANEDIOL, Aldehyde dehydrogenase, mitochondrial, ...
Authors:Perez-Miller, S, Hurley, T.D.
Deposit date:2009-08-12
Release date:2010-01-12
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.688 Å)
Cite:Alda-1 is an agonist and chemical chaperone for the common human aldehyde dehydrogenase 2 variant.
Nat.Struct.Mol.Biol., 17, 2010
4I52
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BU of 4i52 by Molmil
scMenB im complex with 1-hydroxy-2-naphthoyl-CoA
Descriptor: 1-hydroxy-2-naphthoyl-CoA, CHLORIDE ION, Naphthoate synthase
Authors:Song, H.G, Sun, Y.R, Li, J, Li, Y, Jiang, M, Zhou, J.H, Guo, Z.H.
Deposit date:2012-11-28
Release date:2013-05-08
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Structural basis of the induced-fit mechanism of 1,4-dihydroxy-2-naphthoyl coenzyme a synthase from the crotonase fold superfamily
Plos One, 8, 2013
1P1K
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BU of 1p1k by Molmil
Crystal structure of the 1L-myo-inositol 1-phosphate synthase complexed with NADH in the presence of EDTA
Descriptor: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, Inositol-3-phosphate synthase
Authors:Jin, X, Geiger, J.H.
Deposit date:2003-04-12
Release date:2003-07-08
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structures of NAD(+)- and NADH-bound 1-l-myo-inositol 1-phosphate synthase.
Acta Crystallogr.,Sect.D, 59, 2003

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