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2QO3
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BU of 2qo3 by Molmil
Crystal Structure of [KS3][AT3] didomain from module 3 of 6-deoxyerthronolide B synthase
Descriptor: (2S, 3R)-3-HYDROXY-4-OXO-7,10-TRANS,TRANS-DODECADIENAMIDE, ACETATE ION, ...
Authors:Khosla, C, Cane, E.D, Tang, Y, Chen, Y.A, Kim, C.Y.
Deposit date:2007-07-19
Release date:2007-09-04
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.59 Å)
Cite:Structural and mechanistic analysis of protein interactions in module 3 of the 6-deoxyerythronolide B synthase
Chem.Biol., 14, 2007
3JX8
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BU of 3jx8 by Molmil
Crystal structure of Putative lipid binding protein (YP_001304415.1) from Parabacteroides distasonis ATCC 8503 at 2.16 A resolution
Descriptor: CHLORIDE ION, GLYCEROL, Putative lipoprotein, ...
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2009-09-18
Release date:2009-11-10
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.16 Å)
Cite:Crystal structure of Putative lipid binding protein (YP_001304415.1) from Parabacteroides distasonis ATCC 8503 at 2.16 A resolution
To be published
3JYR
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BU of 3jyr by Molmil
Crystal structures of the GacH receptor of Streptomyces glaucescens GLA.O in the unliganded form and in complex with acarbose and an acarbose homolog. Comparison with acarbose-loaded maltose binding protein of Salmonella typhimurium.
Descriptor: 4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, Maltose-binding periplasmic protein
Authors:Vahedi-Faridi, A, Licht, A, Bulut, H, Schneider, E.
Deposit date:2009-09-22
Release date:2010-02-16
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Crystal Structures of the Solute Receptor GacH of Streptomyces glaucescens in Complex with Acarbose and an Acarbose Homolog: Comparison with the Acarbose-Loaded Maltose-Binding Protein of Salmonella typhimurium.
J.Mol.Biol., 397, 2010
8AEV
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BU of 8aev by Molmil
Human acetylcholinesterase in complex with N,N,N-trimethyl-2-oxo-2-(2-(pyridin-2-ylmethylene)hydrazineyl)ethan-1-aminium
Descriptor: 1-(2-(2-((6-(dihydroxymethyl)-2-phenylpyrimidin-4-yl)methylene)hydrazineyl)-2-oxoethyl)pyridin-1-ium, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Nachon, F, Dias, J, Brazzolotto, X.
Deposit date:2022-07-13
Release date:2023-06-14
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.89 Å)
Cite:Grid-Type Quaternary Metallosupramolecular Compounds Inhibit Human Cholinesterases through Dynamic Multivalent Interactions.
Chembiochem, 23, 2022
6IMW
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BU of 6imw by Molmil
The complex structure of endo-beta-1,2-glucanase mutant (E262Q) from Talaromyces funiculosus with beta-1,2-glucan
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, DI(HYDROXYETHYL)ETHER, Endo-beta-1,2-glucanase, ...
Authors:Tanaka, N, Nakajima, M, Narukawa-Nara, M, Matsunaga, H, Kamisuki, S, Aramasa, H, Takahashi, Y, Sugimoto, N, Abe, K, Miyanaga, A, Yamashita, T, Sugawara, F, Kamakura, T, Komba, S, Nakai, H, Taguchi, H.
Deposit date:2018-10-23
Release date:2019-04-10
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Identification, characterization, and structural analyses of a fungal endo-beta-1,2-glucanase reveal a new glycoside hydrolase family.
J.Biol.Chem., 294, 2019
3K0X
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BU of 3k0x by Molmil
Crystal structure of telomere capping protein Ten1 from Saccharomyces pombe
Descriptor: IODIDE ION, Protein Ten1
Authors:Gelinas, A.D, Reyes, F.E, Batey, R.T, Wuttke, D.S.
Deposit date:2009-09-25
Release date:2009-10-27
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Telomere capping proteins are structurally related to RPA with an additional telomere-specific domain.
Proc.Natl.Acad.Sci.USA, 106, 2009
3K11
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BU of 3k11 by Molmil
Crystal structure of Putative glycosyl hydrolase (NP_813087.1) from BACTEROIDES THETAIOTAOMICRON VPI-5482 at 1.80 A resolution
Descriptor: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Putative glycosyl hydrolase
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2009-09-25
Release date:2009-11-03
Last modified:2023-02-01
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of Putative glycosyl hydrolase (NP_813087.1) from BACTEROIDES THETAIOTAOMICRON VPI-5482 at 1.80 A resolution
To be Published
3K1T
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BU of 3k1t by Molmil
Crystal structure of Putative gamma-glutamylcysteine synthetase (YP_546622.1) from METHYLOBACILLUS FLAGELLATUS KT at 1.90 A resolution
Descriptor: CHLORIDE ION, GLYCEROL, Glutamate--cysteine ligase GshA, ...
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2009-09-28
Release date:2009-11-03
Last modified:2023-02-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of Putative gamma-glutamylcysteine synthetase (YP_546622.1) from METHYLOBACILLUS FLAGELLATUS KT at 1.90 A resolution
To be published
5JFL
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BU of 5jfl by Molmil
Crystal structure of Rhodopseudomonas palustris propionaldehyde dehydrogenase with bound NAD+
Descriptor: Aldehyde dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Zarzycki, J, Sutter, M, Kerfeld, C.A.
Deposit date:2016-04-19
Release date:2017-03-01
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:In Vitro Characterization and Concerted Function of Three Core Enzymes of a Glycyl Radical Enzyme - Associated Bacterial Microcompartment.
Sci Rep, 7, 2017
3K23
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BU of 3k23 by Molmil
Glucocorticoid Receptor with Bound D-prolinamide 11
Descriptor: 1-{[3-(4-{[(2R)-4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentyl]amino}-6-methyl-1H-indazol-1-yl)phenyl]carbonyl}-D-prolinamide, Glucocorticoid receptor, Nuclear receptor coactivator 2
Authors:Biggadike, K.B, McLay, I.M, Madauss, K.P, Williams, S.P, Bledsoe, R.K.
Deposit date:2009-09-29
Release date:2009-10-27
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (3 Å)
Cite:Design and x-ray crystal structures of high-potency nonsteroidal glucocorticoid agonists exploiting a novel binding site on the receptor.
Proc.Natl.Acad.Sci.USA, 106, 2009
8AEN
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BU of 8aen by Molmil
Human acetylcholinesterase in complex with zinc and N,N,N-trimethyl-2-oxo-2-(2-(pyridin-2-ylmethylene)hydrazineyl)ethan-1-aminium
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholinesterase, ...
Authors:Nachon, F, Dias, J, Brazzolotto, X.
Deposit date:2022-07-13
Release date:2023-06-21
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (3.01 Å)
Cite:Grid-Type Quaternary Metallosupramolecular Compounds Inhibit Human Cholinesterases through Dynamic Multivalent Interactions.
Chembiochem, 23, 2022
3K4G
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BU of 3k4g by Molmil
Crystal structure of E. coli RNA polymerase alpha subunit C-terminal domain
Descriptor: DNA-directed RNA polymerase subunit alpha, SODIUM ION
Authors:Lara-Gonzalez, S, Birktoft, J, Lawson, C.L.
Deposit date:2009-10-05
Release date:2010-07-07
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Structure of the Escherichia coli RNA polymerase alpha subunit C-terminal domain.
Acta Crystallogr.,Sect.D, 66, 2010
3KB6
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BU of 3kb6 by Molmil
Crystal structure of D-Lactate dehydrogenase from aquifex aeolicus complexed with NAD and Lactic acid
Descriptor: D-lactate dehydrogenase, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
Authors:Antonyuk, S.V, Strange, R.W, Ellis, M.J, Bessho, Y, Kuramitsu, S, Yokoyama, S, Hasnain, S.S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2009-10-20
Release date:2009-11-10
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:Structure of D-lactate dehydrogenase from Aquifex aeolicus complexed with NAD(+) and lactic acid (or pyruvate).
Acta Crystallogr.,Sect.F, 65, 2009
2QUO
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BU of 2quo by Molmil
Crystal Structure of C terminal fragment of Clostridium perfringens enterotoxin
Descriptor: Heat-labile enterotoxin B chain, SULFATE ION
Authors:Betts, L, Van Itallie, C.M.
Deposit date:2007-08-06
Release date:2007-10-30
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structure of the claudin-binding domain of Clostridium perfringens enterotoxin
J.Biol.Chem., 283, 2008
3KE4
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BU of 3ke4 by Molmil
Crystal structure of a PduO-Type ATP:Cob(I)alamin adenosyltransferase from Bacillus cereus
Descriptor: 1,4-DIETHYLENE DIOXIDE, Hypothetical Cytosolic Protein
Authors:Park, A.K, Moon, J.H, Chi, Y.M.
Deposit date:2009-10-23
Release date:2010-10-20
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of a PduO-Type ATP:Cob(I)alamin adenosyltransferase from Bacillus cereus
To be Published
3KF4
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BU of 3kf4 by Molmil
Structural analysis of DFG-in and DFG-out dual Src-Abl inhibitors sharing a common vinyl purine template
Descriptor: N-[4-(dimethylphosphoryl)phenyl]-9-[(E)-2-(5-methyl-1H-indazol-4-yl)ethenyl]-9H-purin-6-amine, Tyrosine-protein kinase ABL1
Authors:Zhou, T.
Deposit date:2009-10-27
Release date:2009-12-22
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural analysis of DFG-in and DFG-out dual Src-Abl inhibitors sharing a common vinyl purine template.
Chem.Biol.Drug Des., 75, 2010
3KFH
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BU of 3kfh by Molmil
Major mouse urinary protein IV complexed with 2-ethylhexanol
Descriptor: (2S)-2-ethylhexan-1-ol, CHLORIDE ION, Major urinary protein 4
Authors:Perez-Miller, S, Zou, Q, Hurley, T.D.
Deposit date:2009-10-27
Release date:2010-06-16
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.02 Å)
Cite:High resolution X-ray structures of mouse major urinary protein nasal isoform in complex with pheromones.
Protein Sci., 19, 2010
3KFR
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BU of 3kfr by Molmil
HIV Protease (PR) dimer with inhibitor TL-3 bound and fragment 1F1 in the outside/top of flap
Descriptor: 1H-indole-6-carboxylic acid, BETA-MERCAPTOETHANOL, Protease, ...
Authors:Stout, C.D.
Deposit date:2009-10-27
Release date:2010-02-23
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Fragment-based screen against HIV protease.
Chem.Biol.Drug Des., 75, 2010
3KG1
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BU of 3kg1 by Molmil
Crystal structure of SnoaB, a cofactor-independent oxygenase from Streptomyces nogalater, mutant N63A
Descriptor: CHLORIDE ION, SnoaB
Authors:Koskiniemi, H, Grocholski, T, Lindqvist, Y, Mantsala, P, Niemi, J, Schneider, G.
Deposit date:2009-10-28
Release date:2010-01-26
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of the cofactor-independent monooxygenase SnoaB from Streptomyces nogalater: implications for the reaction mechanism
Biochemistry, 49, 2010
3KK6
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BU of 3kk6 by Molmil
Crystal Structure of Cyclooxygenase-1 in complex with celecoxib
Descriptor: 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-[5-(4-METHYLPHENYL)-3-(TRIFLUOROMETHYL)-1H-PYRAZOL-1-YL]BENZENESULFONAMIDE, CITRATE ANION, ...
Authors:Sidhu, R.S.
Deposit date:2009-11-04
Release date:2009-12-15
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Coxibs interfere with the action of aspirin by binding tightly to one monomer of cyclooxygenase-1.
Proc.Natl.Acad.Sci.USA, 107, 2010
3KL3
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BU of 3kl3 by Molmil
Crystal structure of Ligand bound XynC
Descriptor: D-HISTIDINE, Glucuronoxylanase xynC, TETRAETHYLENE GLYCOL, ...
Authors:St John, F.J, Hurlbert, J.C, Pozharski, E.
Deposit date:2009-11-06
Release date:2010-12-08
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:Ligand bound structures of a glycosyl hydrolase family 30 glucuronoxylan xylanohydrolase.
J.Mol.Biol., 407, 2011
3KBA
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BU of 3kba by Molmil
Progesterone receptor bound to sulfonamide pyrrolidine partial agonist
Descriptor: 2-chloro-4-{(2-methylbenzyl)[(3S)-1-(methylsulfonyl)pyrrolidin-3-yl]amino}benzonitrile, Progesterone receptor, SULFATE ION
Authors:Kallander, L.S, Washburn, D.G, Williams, S.P, Madauss, K.P.
Deposit date:2009-10-20
Release date:2009-12-08
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2 Å)
Cite:Improving the developability profile of pyrrolidine progesterone receptor partial agonists.
Bioorg.Med.Chem.Lett., 20, 2010
2R1U
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BU of 2r1u by Molmil
DJ-1 activation by catechol quinone modification
Descriptor: Protein DJ-1
Authors:Zhongtao, Z, Yue, F.
Deposit date:2007-08-23
Release date:2008-08-26
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:DJ-1 activation by catechol quinone modification
To be Published
6UJP
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BU of 6ujp by Molmil
P-glycoprotein mutant-F979A and C952A-with BDE100
Descriptor: 2,4-dibromophenyl 2,4,6-tribromophenyl ether, ATP-dependent translocase ABCB1
Authors:Aller, S.G, Le, C.A.
Deposit date:2019-10-03
Release date:2020-05-27
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.98 Å)
Cite:Structural definition of polyspecific compensatory ligand recognition by P-glycoprotein.
Iucrj, 7, 2020
3KC0
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BU of 3kc0 by Molmil
Crystal structure of human liver FBPase in complex with tricyclic inhibitor 10b
Descriptor: Fructose-1,6-bisphosphatase 1, [(8H-indeno[1,2-d][1,3]thiazol-4-yloxy)methyl]phosphonic acid
Authors:Takahashi, M, Sone, J, Hanzawa, H.
Deposit date:2009-10-20
Release date:2010-02-02
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure-based drug design of tricyclic 8H-indeno[1,2-d][1,3]thiazoles as potent FBPase inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010

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