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3II0
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BU of 3ii0 by Molmil
Crystal structure of human Glutamate oxaloacetate transaminase 1 (GOT1)
Descriptor: 1,2-ETHANEDIOL, Aspartate aminotransferase, cytoplasmic, ...
Authors:Ugochukwu, E, Pilka, E, Cooper, C, Bray, J.E, Yue, W.W, Muniz, J, Chaikuad, A, von Delft, F, Bountra, C, Arrowsmith, C.H, Weigelt, J, Edwards, A, Kavanagh, K.L, Oppermann, U, Structural Genomics Consortium (SGC)
Deposit date:2009-07-31
Release date:2009-08-11
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Crystal structure of human Glutamate oxaloacetate transaminase 1 (GOT1)
To be Published
2QZS
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BU of 2qzs by Molmil
Crystal Structure of Wild-type E.coli GS in complex with ADP and Glucose(wtGSb)
Descriptor: (2R)-2-hydroxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]propane-1-sulfonic acid, ADENOSINE-5'-DIPHOSPHATE, alpha-D-glucopyranose, ...
Authors:Sheng, F, Geiger, J.
Deposit date:2007-08-17
Release date:2008-09-09
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The Crystal Structures of the Open and Catalytically Competent Closed Conformation of Escherichia coli Glycogen Synthase.
J.Biol.Chem., 284, 2009
3H0S
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BU of 3h0s by Molmil
Crystal structure of the carboxyltransferase domain of acetyl-coenzyme A carboxylase in complex with compound 7
Descriptor: 1'-(1H-indazol-7-ylcarbonyl)-6-methylspiro[chromene-2,4'-piperidin]-4(3H)-one, Acetyl-CoA carboxylase, SULFATE ION
Authors:Vajdos, F.
Deposit date:2009-04-10
Release date:2010-04-07
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.43 Å)
Cite:Discovery of small molecule isozyme non-specific inhibitors of mammalian acetyl-CoA carboxylase 1 and 2.
Bioorg.Med.Chem.Lett., 20, 2010
3GOJ
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BU of 3goj by Molmil
Barium bound to the Holliday sequence d(CCGGCGCCGG)4
Descriptor: 5'-D(*CP*CP*GP*GP*CP*GP*CP*CP*GP*G)-3', BARIUM ION
Authors:Naseer, A, Cardin, C.J.
Deposit date:2009-03-19
Release date:2009-04-07
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Barium bound to the Holliday junction structure
To be Published
2VIN
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BU of 2vin by Molmil
Fragment-Based Discovery of Mexiletine Derivatives as Orally Bioavailable Inhibitors of Urokinase-Type Plasminogen Activator
Descriptor: (2R)-1-(2,6-dimethylphenoxy)propan-2-amine, ACETATE ION, SULFATE ION, ...
Authors:Frederickson, M, Callaghan, O, Chessari, G, Congreve, M, Cowan, S.R, Matthews, J.E, McMenamin, R, Smith, D, Vinkovic, M, Wallis, N.G.
Deposit date:2007-12-05
Release date:2008-01-22
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Fragment-Based Discovery of Mexiletine Derivatives as Orally Bioavailable Inhibitors of Urokinase-Type Plasminogen Activator
J.Med.Chem., 51, 2008
3GSW
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BU of 3gsw by Molmil
Crystal structure of the binary complex between HLA-A2 and HCMV NLV-T8A peptide variant
Descriptor: Beta-2-microglobulin, HCMV pp65 fragment 495-503, variant T8A (NLVPMVAAV), ...
Authors:Reiser, J.-B, Saulquin, X, Gras, S, Debeaupuis, E, Echasserieau, K, Kissenpfennig, A, Legoux, F, Chouquet, A, Le Gorrec, M, Machillot, P, Neveu, B, Thielens, N, Malissen, B, Bonneville, M, Housset, D.
Deposit date:2009-03-27
Release date:2009-08-04
Last modified:2021-10-13
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Structural bases for the affinity-driven selection of a public TCR against a dominant human cytomegalovirus epitope.
J.Immunol., 183, 2009
3CR8
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BU of 3cr8 by Molmil
Hexameric APS kinase from Thiobacillus denitrificans
Descriptor: Sulfate adenylyltransferase, adenylylsulfate kinase
Authors:Gay, S.C, Segel, I.H, Fisher, A.J.
Deposit date:2008-04-04
Release date:2009-02-17
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Structure of the two-domain hexameric APS kinase from Thiobacillus denitrificans: structural basis for the absence of ATP sulfurylase activity.
Acta Crystallogr.,Sect.D, 65, 2009
2V0O
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BU of 2v0o by Molmil
FCHO2 F-BAR domain
Descriptor: ACETATE ION, FCH DOMAIN ONLY PROTEIN 2
Authors:Henne, W.M, McMahon, H.T, Kent, H.M, Evans, P.R.
Deposit date:2007-05-15
Release date:2007-06-26
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure and Analysis of Fcho2 F-Bar Domain: A Dimerizing and Membrane Recruitment Module that Effects Membrane Curvature.
Structure, 15, 2007
2V94
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BU of 2v94 by Molmil
Crystal structure of P. abyssi RPS24
Descriptor: 30S RIBOSOMAL PROTEIN S24E
Authors:Legrand, P, Pinaud, N, Gleizes, P.E, Fribourg, S.
Deposit date:2007-08-21
Release date:2008-04-29
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Mutation of Ribosomal Protein Rps24 in Diamond- Blackfan Anemia Results in a Ribosome Biogenesis Disorder.
Hum.Mol.Genet., 17, 2008
3CYE
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BU of 3cye by Molmil
Cyrstal structure of the native 1918 H1N1 neuraminidase from a crystal with lattice-translocation defects
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, CALCIUM ION, ...
Authors:Zhu, X, Xu, X, Wilson, I.A.
Deposit date:2008-04-25
Release date:2008-08-05
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structure determination of the 1918 H1N1 neuraminidase from a crystal with lattice-translocation defects
Acta Crystallogr.,Sect.D, 64, 2008
3H30
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BU of 3h30 by Molmil
Crystal structure of the catalytic subunit of human protein kinase CK2 with 5,6-dichloro-1-beta-D-ribofuranosylbenzimidazole
Descriptor: 5,6-dichloro-1-beta-D-ribofuranosyl-1H-benzimidazole, CHLORIDE ION, Casein kinase II subunit alpha
Authors:Niefind, K, Raaf, J, Issinger, O.-G.
Deposit date:2009-04-15
Release date:2009-05-12
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:The CK2alpha/CK2beta Interface of Human Protein Kinase CK2 Harbors a Binding Pocket for Small Molecules
Chem.Biol., 15, 2008
3H5N
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BU of 3h5n by Molmil
Crystal structure of E. coli MccB + ATP
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, MccB protein, ...
Authors:Regni, C.A, Roush, R.F, Miller, D, Nourse, A, Walsh, C.T, Schulman, B.A.
Deposit date:2009-04-22
Release date:2009-06-16
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:How the MccB bacterial ancestor of ubiquitin E1 initiates biosynthesis of the microcin C7 antibiotic.
Embo J., 28, 2009
3GLQ
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BU of 3glq by Molmil
Crystal structure of S-adenosyl-L-homocysteine hydrolase from Burkholderia pseudomallei in complex with 9-beta-D-arabino-furansyl-adenine
Descriptor: 2-(6-AMINO-PURIN-9-YL)-5-HYDROXYMETHYL-TETRAHYDRO-FURAN-3,4-DIOL, Adenosylhomocysteinase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2009-03-12
Release date:2009-03-24
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of S-adenosyl-L-homocysteine hydrolase from Burkholderia pseudomallei in complex with 9-beta-D-arabino-furansyl-adenine
To be Published
3H0B
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BU of 3h0b by Molmil
Discovery of aminoheterocycles as a novel beta-secretase inhibitor class
Descriptor: 4-[(1S)-1-(3-fluoro-4-methoxyphenyl)-2-(2-methoxy-5-nitrophenyl)ethyl]-1H-imidazol-2-amine, Beta-secretase 1
Authors:Allison, T.J.
Deposit date:2009-04-08
Release date:2009-07-07
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Discovery of aminoheterocycles as a novel beta-secretase inhibitor class: pH dependence on binding activity part 1.
Bioorg.Med.Chem.Lett., 19, 2009
3EJD
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BU of 3ejd by Molmil
Crystal Structure of P450BioI in complex with hexadec-9Z-enoic acid ligated Acyl Carrier Protein
Descriptor: Acyl carrier protein, Biotin biosynthesis cytochrome P450-like enzyme, CHLORIDE ION, ...
Authors:Cryle, M.J, Schlichting, I.
Deposit date:2008-09-18
Release date:2008-10-07
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural insights from a P450 Carrier Protein complex reveal how specificity is achieved in the P450(BioI) ACP complex.
Proc.Natl.Acad.Sci.Usa, 105, 2008
2R3J
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BU of 2r3j by Molmil
Crystal Structure of Cyclin-Dependent Kinase 2 with inhibitor
Descriptor: 3-bromo-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine, Cell division protein kinase 2
Authors:Fischmann, T.O, Hruza, A.W, Madison, V.M, Duca, J.S.
Deposit date:2007-08-29
Release date:2008-01-22
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structure-guided discovery of cyclin-dependent kinase inhibitors.
Biopolymers, 89, 2008
3EJB
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BU of 3ejb by Molmil
Crystal Structure of P450BioI in complex with tetradecanoic acid ligated Acyl Carrier Protein
Descriptor: Acyl carrier protein, Biotin biosynthesis cytochrome P450-like enzyme, CHLORIDE ION, ...
Authors:Cryle, M.J, Schlichting, I.
Deposit date:2008-09-18
Release date:2008-10-07
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural insights from a P450 Carrier Protein complex reveal how specificity is achieved in the P450(BioI) ACP complex.
Proc.Natl.Acad.Sci.Usa, 105, 2008
3H2X
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BU of 3h2x by Molmil
Crystal Structure of The Human Lymphoid Tyrosine Phosphatase Catalytic Domain
Descriptor: PHOSPHATE ION, Tyrosine-protein phosphatase non-receptor type 22
Authors:Tsai, S.J, Sen, U.
Deposit date:2009-04-14
Release date:2009-06-02
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of the human lymphoid tyrosine phosphatase catalytic domain: insights into redox regulation .
Biochemistry, 48, 2009
2QCW
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BU of 2qcw by Molmil
Crystal Structure of Bone Morphogenetic Protein-6 (BMP-6)
Descriptor: Bone morphogenetic protein 6
Authors:Allendorph, G.P.
Deposit date:2007-06-19
Release date:2007-10-23
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:BMP-3 and BMP-6 Structures Illuminate the Nature of Binding Specificity with Receptors.
Biochemistry, 46, 2007
2QFU
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BU of 2qfu by Molmil
E.coli EPSP synthase Pro101Leu liganded with S3P and glyphosate
Descriptor: 3-phosphoshikimate 1-carboxyvinyltransferase, FORMIC ACID, GLYPHOSATE, ...
Authors:Schonbrunn, E, Healy-Fried, M.L.
Deposit date:2007-06-28
Release date:2007-10-02
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural basis of glyphosate tolerance resulting from mutations of Pro101 in Escherichia coli 5-enolpyruvylshikimate-3-phosphate synthase.
J.Biol.Chem., 282, 2007
3HGU
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BU of 3hgu by Molmil
Structure of Phenazine Antibiotic Biosynthesis Protein
Descriptor: EhpF
Authors:Bera, A.K, Atanasova, V, Parsons, J.F.
Deposit date:2009-05-14
Release date:2010-04-28
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structure of the D-alanylgriseoluteic acid biosynthetic protein EhpF, an atypical member of the ANL superfamily of adenylating enzymes.
Acta Crystallogr. D Biol. Crystallogr., 66, 2010
2QFX
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BU of 2qfx by Molmil
Crystal structure of Saccharomyces cerevesiae mitochondrial NADP(+)-dependent isocitrate dehydrogenase in complex with NADPH, a-ketoglutarate and Ca(2+)
Descriptor: 2-OXOGLUTARIC ACID, CALCIUM ION, Isocitrate dehydrogenase [NADP], ...
Authors:Peng, Y.J, Ding, J.P.
Deposit date:2007-06-28
Release date:2008-07-01
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural studies of Saccharomyces cerevesiae mitochondrial NADP-dependent isocitrate dehydrogenase in different enzymatic states reveal substantial conformational changes during the catalytic reaction
Protein Sci., 17, 2008
2QKV
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BU of 2qkv by Molmil
Crystal Structure of the C645S Mutant of the 5th PDZ Domain of InaD
Descriptor: Inactivation-no-after-potential D protein
Authors:Ranganathan, R, Socolich, M.
Deposit date:2007-07-11
Release date:2007-11-06
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Dynamic Scaffolding in a G Protein-Coupled Signaling System.
Cell(Cambridge,Mass.), 131, 2007
3HHM
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BU of 3hhm by Molmil
Crystal structure of p110alpha H1047R mutant in complex with niSH2 of p85alpha and the drug wortmannin
Descriptor: (1S,6BR,9AS,11R,11BR)-9A,11B-DIMETHYL-1-[(METHYLOXY)METHYL]-3,6,9-TRIOXO-1,6,6B,7,8,9,9A,10,11,11B-DECAHYDRO-3H-FURO[4, 3,2-DE]INDENO[4,5-H][2]BENZOPYRAN-11-YL ACETATE, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit alpha isoform, ...
Authors:Amzel, L.M, Vogelstein, B, Gabelli, S.B, Mandelker, D.
Deposit date:2009-05-15
Release date:2009-09-29
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:A frequent kinase domain mutation that changes the interaction between PI3K{alpha} and the membrane.
Proc.Natl.Acad.Sci.USA, 106, 2009
3HH4
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BU of 3hh4 by Molmil
New azaborine compounds bind to the T4 lysozyme L99A cavity - Benzene as control
Descriptor: 2-HYDROXYETHYL DISULFIDE, BENZENE, Lysozyme, ...
Authors:Liu, L, Matthews, B.W.
Deposit date:2009-05-14
Release date:2009-10-13
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Boron mimetics: 1,2-dihydro-1,2-azaborines bind inside a nonpolar cavity of T4 lysozyme.
Angew.Chem.Int.Ed.Engl., 48, 2009

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