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5N03
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BU of 5n03 by Molmil
Crystal structure of the decarboxylase AibA/AibB C56V variant
Descriptor: ACETATE ION, Glutaconate CoA-transferase family, subunit A, ...
Authors:Bock, T, Luxenburger, E, Hoffmann, J, Schuetza, V, Feiler, C, Mueller, R, Blankenfeldt, W.
Deposit date:2017-02-02
Release date:2017-05-31
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:AibA/AibB Induces an Intramolecular Decarboxylation in Isovalerate Biosynthesis by Myxococcus xanthus.
Angew. Chem. Int. Ed. Engl., 56, 2017
2JKW
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BU of 2jkw by Molmil
Pseudoazurin M16F
Descriptor: COPPER (II) ION, PSEUDOAZURIN
Authors:Yanagisawa, S, Crowley, P.B, Firbank, S.J, Lawler, A.T, Hunter, D.M, McFarlane, W, Li, C, Kohzuma, T, Banfield, M.J, Dennison, C.
Deposit date:2008-09-01
Release date:2008-11-04
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Pi-Interaction Tuning of the Active Site Properties of Metalloproteins.
J.Am.Chem.Soc., 130, 2008
6GT2
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BU of 6gt2 by Molmil
Reduced copper nitrite reductase from Achromobacter cycloclastes determined by serial femtosecond rotation crystallography
Descriptor: COPPER (II) ION, Copper-containing nitrite reductase, MALONATE ION
Authors:Halsted, T.P, Yamashita, K, Gopalasingam, C.C, Shenoy, R.T, Hirata, K, Ago, H, Ueno, G, Eady, R.R, Antonyuk, S.V, Yamamoto, M, Hasnain, S.S.
Deposit date:2018-06-15
Release date:2019-07-03
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Catalytically important damage-free structures of a copper nitrite reductase obtained by femtosecond X-ray laser and room-temperature neutron crystallography.
Iucrj, 6, 2019
2WGS
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BU of 2wgs by Molmil
Crystal structure of Mycobacterium Tuberculosis Glutamine Synthetase in complex with a purine analogue inhibitor.
Descriptor: 1-(3,4-dichlorobenzyl)-3,7-dimethyl-8-morpholin-4-yl-3,7-dihydro-1H-purine-2,6-dione, CHLORIDE ION, GLUTAMINE SYNTHETASE 1
Authors:Nilsson, M.T, Krajewski, W.W, Jones, T.A, Mowbray, S.L.
Deposit date:2009-04-27
Release date:2009-09-01
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Structural Basis for the Inhibition of Mycobacterium Tuberculosis Glutamine Synthetase by Novel ATP-Competitive Inhibitors.
J.Mol.Biol., 393, 2009
2OAX
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BU of 2oax by Molmil
Crystal structure of the S810L mutant mineralocorticoid receptor associated with SC9420
Descriptor: Mineralocorticoid receptor, SPIRONOLACTONE
Authors:Huyet, J, Pinon, G.M, Fay, M.R, Rafestin-Oblin, M.E, Fagart, J.
Deposit date:2006-12-18
Release date:2007-08-14
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:Structural basis of spirolactone recognition by the mineralocorticoid receptor
Mol.Pharmacol., 72, 2007
1XJA
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BU of 1xja by Molmil
Apo form of the Y31V mutant dimerization domain fragment of Escherichia coli regulatory protein AraC
Descriptor: 1,2-ETHANEDIOL, Arabinose operon regulatory protein
Authors:Weldon, J.E, Larkin, C, Schleif, R.F.
Deposit date:2004-09-23
Release date:2004-10-12
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure and properties of a truely apo form of AraC dimerization domain.
Proteins, 66, 2007
6H1T
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BU of 6h1t by Molmil
Structure of the BM3 heme domain in complex with clotrimazole
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, 1-[(2-CHLOROPHENYL)(DIPHENYL)METHYL]-1H-IMIDAZOLE, ...
Authors:Jeffreys, L.N, Munro, A.W.M, Leys, D.
Deposit date:2018-07-12
Release date:2019-02-20
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Novel insights into P450 BM3 interactions with FDA-approved antifungal azole drugs.
Sci Rep, 9, 2019
4HBM
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BU of 4hbm by Molmil
Ordering of the N Terminus of Human MDM2 by Small Molecule Inhibitors
Descriptor: E3 ubiquitin-protein ligase Mdm2, {(3R,5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-1-[(2S)-1-hydroxybutan-2-yl]-2-oxopiperidin-3-yl}acetic acid
Authors:Huang, X.
Deposit date:2012-09-28
Release date:2012-10-17
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Ordering of the N-terminus of human MDM2 by small molecule inhibitors.
J.Am.Chem.Soc., 134, 2012
2C9T
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BU of 2c9t by Molmil
Crystal Structure Of Acetylcholine Binding Protein (AChBP) From Aplysia Californica In Complex With alpha-Conotoxin ImI
Descriptor: ALPHA-CONOTOXIN IMI, SOLUBLE ACETYLCHOLINE RECEPTOR
Authors:Ulens, C, Hogg, R.C, Celie, P.H, Bertrand, D, Tsetlin, V, Smit, A.B, Sixma, T.K.
Deposit date:2005-12-14
Release date:2006-02-13
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Structural Determinants of Selective {Alpha}-Conotoxin Binding to a Nicotinic Acetylcholine Receptor Homolog Achbp.
Proc.Natl.Acad.Sci.USA, 103, 2006
4QT8
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BU of 4qt8 by Molmil
Crystal Structure of RON Sema-PSI-IPT1 extracellular domains in complex with MSP beta-chain
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hepatocyte growth factor-like protein, Macrophage-stimulating protein receptor, ...
Authors:Herzberg, O, Chao, K.L.
Deposit date:2014-07-07
Release date:2014-09-17
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structural basis for the binding specificity of human Recepteur d'Origine Nantais (RON) receptor tyrosine kinase to macrophage-stimulating protein.
J.Biol.Chem., 289, 2014
6H7V
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BU of 6h7v by Molmil
Crystal structure of BauA, the Ferric preacinetobactin receptor from Acinetobacter baumannii
Descriptor: (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, 1,2-ETHANEDIOL, Ligand-gated channel protein
Authors:Moynie, L, Naismith, J.H.
Deposit date:2018-07-31
Release date:2018-10-10
Last modified:2019-01-16
Method:X-RAY DIFFRACTION (2.54 Å)
Cite:Preacinetobactin not acinetobactin is essential for iron uptake by the BauA transporter of the pathogenAcinetobacter baumannii.
Elife, 7, 2018
4DLP
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BU of 4dlp by Molmil
Crystal structure of methionyl-tRNA synthetase MetRS from Brucella melitensis bound to selenomethionine
Descriptor: Aminoacyl-tRNA synthetase, class I:Aminoacyl-tRNA synthetase, class Ia:Methionyl-tRNA synthetase, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2012-02-06
Release date:2012-02-15
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Brucella melitensis Methionyl-tRNA-Synthetase (MetRS), a Potential Drug Target for Brucellosis.
Plos One, 11, 2016
2ABE
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BU of 2abe by Molmil
Carbonic anhydrase activators: X-ray crystal structure of the adduct of human isozyme II with L-histidine as a platform for the design of stronger activators
Descriptor: Carbonic anhydrase II, HISTIDINE, MERCURY (II) ION, ...
Authors:Temperini, C, Scozzafava, A, Puccetti, L, Supuran, C.T.
Deposit date:2005-07-15
Release date:2005-10-25
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2 Å)
Cite:Carbonic anhydrase activators: X-ray crystal structure of the adduct of human isozyme II with l-histidine as a platform for the design of stronger activators.
Bioorg.Med.Chem.Lett., 15, 2005
4CPP
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BU of 4cpp by Molmil
CRYSTAL STRUCTURES OF CYTOCHROME P450-CAM COMPLEXED WITH CAMPHANE, THIOCAMPHOR, AND ADAMANTANE: FACTORS CONTROLLING P450 SUBSTRATE HYDROXYLATION
Descriptor: ADAMANTANE, CYTOCHROME P450-CAM, PROTOPORPHYRIN IX CONTAINING FE
Authors:Raag, R, Poulos, T.L.
Deposit date:1990-05-18
Release date:1991-07-15
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:Crystal structures of cytochrome P-450CAM complexed with camphane, thiocamphor, and adamantane: factors controlling P-450 substrate hydroxylation.
Biochemistry, 30, 1991
4LG6
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BU of 4lg6 by Molmil
Crystal structure of ANKRA2-CCDC8 complex
Descriptor: Ankyrin repeat family A protein 2, Coiled-coil domain-containing protein 8, UNKNOWN ATOM OR ION
Authors:Xu, C, Bian, C, Tempel, W, Mackenzie, F, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2013-06-27
Release date:2013-09-25
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Ankyrin Repeats of ANKRA2 Recognize a PxLPxL Motif on the 3M Syndrome Protein CCDC8.
Structure, 23, 2015
2POT
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BU of 2pot by Molmil
tRNA guanine transglycosylase (TGT) E235Q mutant in complex with guanine
Descriptor: GLYCEROL, GUANINE, Queuine tRNA-ribosyltransferase, ...
Authors:Tidten, N, Heine, A, Reuter, K, Klebe, G.
Deposit date:2007-04-27
Release date:2007-10-30
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Glutamate versus Glutamine Exchange Swaps Substrate Selectivity in tRNA-Guanine Transglycosylase: Insight into the Regulation of Substrate Selectivity by Kinetic and Crystallographic Studies.
J.Mol.Biol., 374, 2007
2VNG
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BU of 2vng by Molmil
Family 51 carbohydrate binding module from a family 98 glycoside hydrolase produced by Clostridium perfringens in complex with blood group A-trisaccharide ligand.
Descriptor: CALCIUM ION, CPE0329, alpha-L-fucopyranose-(1-2)-[2-acetamido-2-deoxy-alpha-D-galactopyranose-(1-3)]beta-D-galactopyranose
Authors:Gregg, K.J, Finn, R, Abbott, D.W, Boraston, A.B.
Deposit date:2008-02-04
Release date:2008-02-19
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Divergent Modes of Glycan Recognition by a New Family of Carbohydrate-Binding Modules
J.Biol.Chem., 283, 2008
8UQE
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BU of 8uqe by Molmil
Crystal structure of RNF168 (RING)-UbcH5c fused to H2A-H2B via a 26-residue linker (RING not modeled in density)
Descriptor: E3 ubiquitin-protein ligase RNF168,Ubiquitin-conjugating enzyme E2 D3,Histone H2B type 2-E,Histone H2A type 1-B/E
Authors:Hu, Q, Botuyan, M.V, Mer, G.
Deposit date:2023-10-23
Release date:2024-01-17
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (3.562 Å)
Cite:Mechanisms of RNF168 nucleosome recognition and ubiquitylation.
Mol.Cell, 84, 2024
8UQB
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BU of 8uqb by Molmil
Crystal structure of RNF168 (RING)-UbcH5c fused to H2A-H2B via a 20-residue linker (crystallization condition 1)
Descriptor: CHLORIDE ION, E3 ubiquitin-protein ligase RNF168,Ubiquitin-conjugating enzyme E2 D3,Histone H2B type 2-E,Histone H2A type 1-B/E, ZINC ION
Authors:Hu, Q, Botuyan, M.V, Mer, G.
Deposit date:2023-10-23
Release date:2024-01-17
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.484 Å)
Cite:Mechanisms of RNF168 nucleosome recognition and ubiquitylation.
Mol.Cell, 84, 2024
8UPF
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BU of 8upf by Molmil
Cryo-EM structure of the human nucleosome core particle in complex with RNF168-UbcH5c
Descriptor: DNA (147-MER), E3 ubiquitin-protein ligase RNF168, Histone H2A type 1-B/E, ...
Authors:Hu, Q, Botuyan, M.V, Zhao, D, Cui, G, Mer, G.
Deposit date:2023-10-22
Release date:2024-01-17
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Mechanisms of RNF168 nucleosome recognition and ubiquitylation.
Mol.Cell, 84, 2024
8UQA
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BU of 8uqa by Molmil
Crystal structure of RNF168 (RING)-UbcH5c fused to H2A-H2B via a 12-residue linker
Descriptor: CHLORIDE ION, E3 ubiquitin-protein ligase RNF168,Ubiquitin-conjugating enzyme E2 D3,Histone H2B type 2-E,Histone H2A type 1-B/E, SODIUM ION, ...
Authors:Hu, Q, Botuyan, M.V, Mer, G.
Deposit date:2023-10-23
Release date:2024-01-17
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.049 Å)
Cite:Mechanisms of RNF168 nucleosome recognition and ubiquitylation.
Mol.Cell, 84, 2024
8UQ8
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BU of 8uq8 by Molmil
Crystal structure of RNF168 (RING)-UbcH5c fused to H2A-H2B via a 2-residue linker
Descriptor: CHLORIDE ION, E3 ubiquitin-protein ligase RNF168,Ubiquitin-conjugating enzyme E2 D3,Histone H2B type 2-E,Histone H2A type 1-B/E, GLYCEROL, ...
Authors:Hu, Q, Botuyan, M.V, Mer, G.
Deposit date:2023-10-23
Release date:2024-01-17
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.34 Å)
Cite:Mechanisms of RNF168 nucleosome recognition and ubiquitylation.
Mol.Cell, 84, 2024
8UQ9
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BU of 8uq9 by Molmil
Crystal structure of RNF168 (RING)-UbcH5c fused to H2A-H2B via a 4-residue linker
Descriptor: CHLORIDE ION, E3 ubiquitin-protein ligase RNF168,Ubiquitin-conjugating enzyme E2 D3,Histone H2B type 2-E,Histone H2A type 1-B/E, GLYCEROL, ...
Authors:Hu, Q, Botuyan, M.V, Mer, G.
Deposit date:2023-10-23
Release date:2024-01-17
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Mechanisms of RNF168 nucleosome recognition and ubiquitylation.
Mol.Cell, 84, 2024
8UQD
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BU of 8uqd by Molmil
Crystal structure of RNF168 (RING)-UbcH5c fused to H2A-H2B via a 20-residue linker (condition 2. RING not modeled in density)
Descriptor: E3 ubiquitin-protein ligase RNF168,Ubiquitin-conjugating enzyme E2 D3,Histone H2B type 2-E,Histone H2A type 1-B/E
Authors:Hu, Q, Botuyan, M.V, Mer, G.
Deposit date:2023-10-23
Release date:2024-01-17
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (3.893 Å)
Cite:Mechanisms of RNF168 nucleosome recognition and ubiquitylation.
Mol.Cell, 84, 2024
8UQC
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BU of 8uqc by Molmil
Crystal structure of RNF168 (RING)-UbcH5c fused to H2A-H2B via a 20-residue linker (crystallization condition 2)
Descriptor: E3 ubiquitin-protein ligase RNF168,Ubiquitin-conjugating enzyme E2 D3,Histone H2B type 2-E,Histone H2A type 1-B/E, ZINC ION
Authors:Hu, Q, Botuyan, M.V, Mer, G.
Deposit date:2023-10-23
Release date:2024-01-17
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.61 Å)
Cite:Mechanisms of RNF168 nucleosome recognition and ubiquitylation.
Mol.Cell, 84, 2024

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