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2OU0
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BU of 2ou0 by Molmil
1-methylpyrrole in complex with T4 Lysozyme L99A
Descriptor: 1-METHYL-1H-PYRROLE, Lysozyme, PHOSPHATE ION
Authors:Graves, A.P, Shoichet, B.K.
Deposit date:2007-02-09
Release date:2007-08-07
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Predicting absolute ligand binding free energies to a simple model site.
J.Mol.Biol., 371, 2007
7C2B
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BU of 7c2b by Molmil
Crystal structure of ferredoxin: thioredoxin reductase and thioredoxin f2 complex
Descriptor: Ferredoxin-thioredoxin reductase catalytic chain, chloroplastic, Ferredoxin-thioredoxin reductase variable chain, ...
Authors:Kurisu, G, Juniar, L, Tanaka, H.
Deposit date:2020-05-07
Release date:2020-10-14
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.7949 Å)
Cite:Structural basis for thioredoxin isoform-based fine-tuning of ferredoxin-thioredoxin reductase activity.
Protein Sci., 29, 2020
3TRP
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BU of 3trp by Molmil
Crystal structure of recombinant rabbit skeletal calsequestrin
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, CALCIUM ION, ...
Authors:Sanchez, E.J, Lewis, K.M, Munske, G.R, Nissen, M.S, Kang, C.
Deposit date:2011-09-09
Release date:2012-02-22
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.8817 Å)
Cite:High-capacity Ca2+ Binding of Human Skeletal Calsequestrin.
J.Biol.Chem., 287, 2012
6CVC
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BU of 6cvc by Molmil
Mycobacterium marinum cytochrome P450 CYP124A1 in the substrate-free form
Descriptor: Cytochrome P450 124A1, Cyp124A1, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Child, S.A, Bruning, J.B, Bell, S.G.
Deposit date:2018-03-27
Release date:2019-03-27
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:A comparison of the steroid binding cytochrome P450s from Mycobacterium marinum and Mycobacterium tuberculosis
To Be Published
6CVM
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BU of 6cvm by Molmil
Atomic resolution cryo-EM structure of beta-galactosidase
Descriptor: 2-phenylethyl 1-thio-beta-D-galactopyranoside, Beta-galactosidase, MAGNESIUM ION, ...
Authors:Subramaniam, S, Bartesaghi, A, Banerjee, S, Zhu, X, Milne, J.L.S.
Deposit date:2018-03-28
Release date:2018-05-30
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (1.9 Å)
Cite:Atomic Resolution Cryo-EM Structure of beta-Galactosidase.
Structure, 26, 2018
2JB3
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BU of 2jb3 by Molmil
The structure of L-amino acid oxidase from Rhodococcus opacus in complex with o-aminobenzoate
Descriptor: 2-AMINOBENZOIC ACID, FLAVIN-ADENINE DINUCLEOTIDE, L-AMINO ACID OXIDASE
Authors:Faust, A, Niefind, K, hummel, W, Schomburg, D.
Deposit date:2006-12-01
Release date:2007-01-30
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:The Structure of a Bacterial L-Amino Acid Oxidase from Rhodococcus Opacus Gives New Evidence for the Hydride Mechanism for Dehydrogenation
J.Mol.Biol., 367, 2007
7BYW
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BU of 7byw by Molmil
Crystal structure of Acidovorax avenae L-fucose mutarotase (L-fucose-bound form)
Descriptor: 2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL, L-fucose mutarotase, alpha-L-fucopyranose
Authors:Watanabe, Y, Watanabe, S.
Deposit date:2020-04-24
Release date:2020-05-27
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Functional and structural characterization of a novel L-fucose mutarotase involved in non-phosphorylative pathway of L-fucose metabolism.
Biochem.Biophys.Res.Commun., 528, 2020
2OYL
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BU of 2oyl by Molmil
Endo-glycoceramidase II from Rhodococcus sp.: cellobiose-like imidazole complex
Descriptor: (5R,6R,7R,8S)-7,8-dihydroxy-5-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl beta-D-glucopyranoside, Endoglycoceramidase II, GLYCEROL, ...
Authors:Caines, M.E.C, Strynadka, N.C.J.
Deposit date:2007-02-22
Release date:2007-03-06
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The structural basis of glycosidase inhibition by five-membered iminocyclitols: the clan a glycoside hydrolase endoglycoceramidase as a model system.
Angew.Chem.Int.Ed.Engl., 46, 2007
2XVQ
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BU of 2xvq by Molmil
Human serum albumin complexed with dansyl-L-sarcosine
Descriptor: DANSYL-L-SARCOSINE, SERUM ALBUMIN
Authors:Ryan, A.J, Curry, S.
Deposit date:2010-10-27
Release date:2010-11-10
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural Basis of Binding of Fluorescent, Site-Specific Dansylated Amino Acids to Human Serum Albumin.
J.Struct.Biol., 174, 2011
7BZC
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BU of 7bzc by Molmil
Crystal structure of plant sesterterpene synthase AtTPS18 complexed with farnesyl thiolodiphosphate (FSPP)
Descriptor: MAGNESIUM ION, S-[(2E,6E)-3,7,11-TRIMETHYLDODECA-2,6,10-TRIENYL] TRIHYDROGEN THIODIPHOSPHATE, Terpenoid synthase 18
Authors:Li, J.X, Wang, G.D, Zhang, P.
Deposit date:2020-04-27
Release date:2020-09-23
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.303 Å)
Cite:Molecular Basis for Sesterterpene Diversity Produced by Plant Terpene Synthases.
Plant Commun., 1, 2020
6CXV
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BU of 6cxv by Molmil
Structure of the S167H mutant of human indoleamine 2,3 dioxygenase in complex with tryptophan and cyanide
Descriptor: 2-(1H-indol-3-yl)ethanol, CYANIDE ION, Indoleamine 2,3-dioxygenase 1, ...
Authors:Lewis-Ballester, A, Yeh, S.-R, Karkashon, S, Batabyal, D, Poulos, T.L.
Deposit date:2018-04-04
Release date:2018-06-27
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Inhibition Mechanisms of Human Indoleamine 2,3 Dioxygenase 1.
J. Am. Chem. Soc., 140, 2018
2VDD
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BU of 2vdd by Molmil
Crystal Structure of the Open State of TolC Outer Membrane Component of Mutlidrug Efflux Pumps
Descriptor: CHLORIDE ION, OUTER MEMBRANE PROTEIN TOLC, POTASSIUM ION
Authors:Bavro, V.N, Pietras, Z, Furnham, N, Perez-Cano, L, Fernandez-Recio, J, Pei, X.Y, Truer, R, Misra, R, Luisi, B.
Deposit date:2007-10-04
Release date:2008-04-22
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Assembly and Channel Opening in a Bacterial Drug Efflux Machine.
Mol.Cell, 30, 2008
4YXM
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BU of 4yxm by Molmil
Structure of Thermotoga maritima DisA D75N mutant with reaction product c-di-AMP
Descriptor: (2R,3R,3aS,5R,7aR,9R,10R,10aS,12R,14aR)-2,9-bis(6-amino-9H-purin-9-yl)octahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8 ]tetraoxadiphosphacyclododecine-3,5,10,12-tetrol 5,12-dioxide, (4S)-2-METHYL-2,4-PENTANEDIOL, DNA integrity scanning protein DisA
Authors:Mueller, M, Deimling, T, Hopfner, K.-P, Witte, G.
Deposit date:2015-03-23
Release date:2015-06-03
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Structural analysis of the diadenylate cyclase reaction of DNA-integrity scanning protein A (DisA) and its inhibition by 3'-dATP.
Biochem.J., 469, 2015
6SU8
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BU of 6su8 by Molmil
Highly thermostable endoglucanase Cel7B
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Glucanase, ...
Authors:Schiano-di-Cola, C, Morth, J.P, Westh, P, Borch, K.
Deposit date:2019-09-13
Release date:2019-11-06
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.48 Å)
Cite:Structural and biochemical characterization of a family 7 highly thermostable endoglucanase from the fungus Rasamsonia emersonii.
Febs J., 287, 2020
2OXB
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BU of 2oxb by Molmil
Crystal structure of a cell-wall invertase (E203Q) from Arabidopsis thaliana in complex with sucrose
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-fructofuranosidase, beta-D-fructofuranose-(2-1)-alpha-D-glucopyranose
Authors:Lammens, W, Le Roy, K, Van Laere, A, Van den Ende, W, Rabijns, A.
Deposit date:2007-02-20
Release date:2008-01-22
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:An alternate sucrose binding mode in the E203Q Arabidopsis invertase mutant: An X-ray crystallography and docking study.
Proteins, 71, 2007
2ONP
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BU of 2onp by Molmil
Arg475Gln Mutant of Human Mitochondrial Aldehyde Dehydrogenase, complexed with NAD+
Descriptor: 1,2-ETHANEDIOL, Aldehyde dehydrogenase, GUANIDINE, ...
Authors:Larson, H.N, Hurley, T.D.
Deposit date:2007-01-24
Release date:2007-03-06
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural and functional consequences of coenzyme binding to the inactive asian variant of mitochondrial aldehyde dehydrogenase: roles of residues 475 and 487.
J.Biol.Chem., 282, 2007
2I30
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BU of 2i30 by Molmil
Human serum albumin complexed with myristate and salicylic acid
Descriptor: 2-HYDROXYBENZOIC ACID, MYRISTIC ACID, Serum albumin
Authors:Yang, F, Bian, C, Zhu, L, Zhao, G, Huang, Z, Huang, M.
Deposit date:2006-08-17
Release date:2006-12-12
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Effect of human serum albumin on drug metabolism: Structural evidence of esterase activity of human serum albumin
J.Struct.Biol., 157, 2007
4YZT
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BU of 4yzt by Molmil
Crystal structure of a tri-modular GH5 (subfamily 4) endo-beta-1, 4-glucanase from Bacillus licheniformis complexed with cellotetraose
Descriptor: 1,2-ETHANEDIOL, Cellulose hydrolase, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose
Authors:Liberato, M.V, Popov, A, Polikarpov, I.
Deposit date:2015-03-25
Release date:2016-09-07
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.665 Å)
Cite:Molecular characterization of a family 5 glycoside hydrolase suggests an induced-fit enzymatic mechanism.
Sci Rep, 6, 2016
2HYU
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BU of 2hyu by Molmil
Human Annexin A2 with heparin tetrasaccharide bound
Descriptor: 4-deoxy-2-O-sulfo-alpha-L-threo-hex-4-enopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose, Annexin A2, CALCIUM ION
Authors:Shao, C, Head, J.F, Seaton, B.A.
Deposit date:2006-08-07
Release date:2006-09-05
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Crystallographic Analysis of Calcium-dependent Heparin Binding to Annexin A2.
J.Biol.Chem., 281, 2006
4Z2U
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BU of 4z2u by Molmil
Crystal Structure of 2-hydroxybiphenyl 3-monooxygenase R242Q from Pseudomonas azelaica
Descriptor: 2-hydroxybiphenyl-3-monooxygenase, FLAVIN-ADENINE DINUCLEOTIDE
Authors:Kanteev, M, Bregman-Cohen, A, Fishman, A.
Deposit date:2015-03-30
Release date:2015-08-19
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:A crystal structure of 2-hydroxybiphenyl 3-monooxygenase with bound substrate provides insights into the enzymatic mechanism.
Biochim.Biophys.Acta, 1854, 2015
4AXK
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BU of 4axk by Molmil
CRYSTAL STRUCTURE OF subHisA from the thermophile Corynebacterium efficiens
Descriptor: 1-(5-PHOSPHORIBOSYL)-5-((5'-PHOSPHORIBOSYLAMINO) METHYLIDENEAMINO)IMIDAZOLE-4-CARBOXAMIDE ISOMERASE, GLYCEROL
Authors:Noda-Garcia, L, Camacho-Zarco, A.R, Medina-Ruiz, S, Verduzco-Castro, E.A, Gaytan, P, Carrillo-Tripp, M, Fulop, V, Barona-Gomez, F.
Deposit date:2012-06-13
Release date:2013-06-26
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Evolution of Substrate Specificity in a Recipient'S Enzyme Following Horizontal Gene Transfer.
Mol.Biol.Evol., 30, 2013
6CXT
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BU of 6cxt by Molmil
Crystal structure of FAD-dependent dehydrogenase
Descriptor: 1,2-ETHANEDIOL, Alpha/beta hydrolase fold protein, Butyryl-CoA dehydrogenase, ...
Authors:Agarwal, V.
Deposit date:2018-04-04
Release date:2019-01-16
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Insights into Thiotemplated Pyrrole Biosynthesis Gained from the Crystal Structure of Flavin-Dependent Oxidase in Complex with Carrier Protein.
Biochemistry, 58, 2019
2OQ2
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BU of 2oq2 by Molmil
Crystal structure of yeast PAPS reductase with PAP, a product complex
Descriptor: ADENOSINE-3'-5'-DIPHOSPHATE, Phosphoadenosine phosphosulfate reductase
Authors:Yu, Z, Fisher, A.J.
Deposit date:2007-01-31
Release date:2008-01-15
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of Saccharomyces cerevisiae 3'-phosphoadenosine-5'-phosphosulfate reductase complexed with adenosine 3',5'-bisphosphate.
Biochemistry, 47, 2008
6CY9
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BU of 6cy9 by Molmil
SA11 Rotavirus NSP2 with disulfide bridge
Descriptor: MAGNESIUM ION, Non-structural protein 2
Authors:Anish, R, Hu, L, Sankaran, B, Prasad, B.V.V.
Deposit date:2018-04-05
Release date:2018-12-05
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.615 Å)
Cite:Phosphorylation cascade regulates the formation and maturation of rotaviral replication factories.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
6CWJ
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BU of 6cwj by Molmil
Crystal structures of cyanuric acid hydrolase from Moorella thermoacetica complexed with 1,3-Acetone Dicarboxylic Acid
Descriptor: 1,3-PROPANDIOL, 3-oxopentanedioic acid, ACETATE ION, ...
Authors:Shi, K, Aihara, H.
Deposit date:2018-03-30
Release date:2019-06-12
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.253 Å)
Cite:Crystal structures of Moorella thermoacetica cyanuric acid hydrolase reveal conformational flexibility and asymmetry important for catalysis.
Plos One, 14, 2019

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