4OTH
 
 | | Crystal Structure of PRK1 Catalytic Domain in Complex with Ro-31-8220 | | Descriptor: | BISINDOLYLMALEIMIDE IX, Serine/threonine-protein kinase N1 | | Authors: | Chamberlain, P.P, Delker, S, Pagarigan, B, Mahmoudi, A, Jackson, P, Abbassian, M, Muir, J, Raheja, N, Cathers, B. | | Deposit date: | 2014-02-13 | | Release date: | 2014-08-27 | | Last modified: | 2018-01-24 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal Structures of PRK1 in Complex with the Clinical Compounds Lestaurtinib and Tofacitinib Reveal Ligand Induced Conformational Changes.
Plos One, 9, 2014
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3VK8
 | | Crystal structure of DNA-glycosylase bound to DNA containing Thymine glycol | | Descriptor: | DNA (5'-D(*CP*GP*TP*CP*CP*AP*(CTG)P*GP*TP*CP*TP*AP*C)-3'), DNA (5'-D(*GP*TP*AP*GP*AP*CP*CP*TP*GP*GP*AP*CP*G)-3'), GLYCEROL, ... | | Authors: | Imamura, K, Averill, A, Wallace, S.S, Doublie, S. | | Deposit date: | 2011-11-10 | | Release date: | 2011-12-14 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural characterization of viral ortholog of human DNA glycosylase NEIL1 bound to thymine glycol or 5-hydroxyuracil-containing DNA
J.Biol.Chem., 287, 2012
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4OU2
 | | A 2.15 Angstroms X-ray crystal structure of E268A 2-aminomuconate 6-semialdehyde dehydrogenase catalytic intermediate from Pseudomonas fluorescens | | Descriptor: | (2Z,4E)-2,6-dihydroxyhexa-2,4-dienoic acid, 2-aminomuconate 6-semialdehyde dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | | Authors: | Huo, L, Liu, A. | | Deposit date: | 2014-02-14 | | Release date: | 2014-12-24 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Crystallographic and spectroscopic snapshots reveal a dehydrogenase in action.
Nat Commun, 6, 2015
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4OVH
 | | E. coli sliding clamp in complex with (R)-6-bromo-9-(2-(carboxymethylamino)-2-oxoethyl)-2,3,4,9-tetrahydro-1H-carbazole-2-carboxylic acid | | Descriptor: | (2R)-6-bromo-9-{2-[(carboxymethyl)amino]-2-oxoethyl}-2,3,4,9-tetrahydro-1H-carbazole-2-carboxylic acid, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Yin, Z, Oakley, A.J. | | Deposit date: | 2014-02-21 | | Release date: | 2014-03-05 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Bacterial Sliding Clamp Inhibitors that Mimic the Sequential Binding Mechanism of Endogenous Linear Motifs.
J.Med.Chem., 58, 2015
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4OV7
 | | Ancestral Steroid Receptor 2 DBD helix mutant - SRE DNA complex | | Descriptor: | 5'-D(*CP*CP*AP*GP*AP*AP*CP*AP*GP*AP*GP*TP*GP*TP*TP*CP*TP*G)-3', 5'-D(*TP*CP*AP*GP*AP*AP*CP*AP*CP*TP*CP*TP*GP*TP*TP*CP*TP*G)-3', Ancestral Steroid Receptor 2 DBD helix mutant, ... | | Authors: | Ortlund, E.A. | | Deposit date: | 2014-02-20 | | Release date: | 2014-10-29 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.701 Å) | | Cite: | Evolution of DNA specificity in a transcription factor family produced a new gene regulatory module.
Cell(Cambridge,Mass.), 159, 2014
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3VMJ
 | | 3-isopropylmalate dehydrogenase from Shewanella oneidensis MR-1 | | Descriptor: | 3-ISOPROPYLMALIC ACID, 3-isopropylmalate dehydrogenase, CHLORIDE ION, ... | | Authors: | Nagae, T, Watanabe, N. | | Deposit date: | 2011-12-13 | | Release date: | 2012-02-29 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.56 Å) | | Cite: | Structural analysis of 3-isopropylmalate dehydrogenase from the obligate piezophile Shewanella benthica DB21MT-2 and the nonpiezophile Shewanella oneidensis MR-1
Acta Crystallogr.,Sect.F, 68, 2012
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4OBA
 | | Co-crystal structure of MDM2 with Inhibitor Compound 4 | | Descriptor: | E3 ubiquitin-protein ligase Mdm2, [(2R,5R,6R)-4-[(1S)-2-(tert-butylsulfonyl)-1-cyclopropylethyl]-6-(3-chlorophenyl)-5-(4-chlorophenyl)-3-oxomorpholin-2-yl]acetic acid | | Authors: | Shaffer, P.L, Huang, X, Yakowec, P, Long, A.M. | | Deposit date: | 2014-01-07 | | Release date: | 2014-03-19 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.602 Å) | | Cite: | Selective and Potent Morpholinone Inhibitors of the MDM2-p53 Protein-Protein Interaction.
J.Med.Chem., 57, 2014
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3EG2
 | | Crystal structure of the N114Q mutant of ABL-SH3 domain | | Descriptor: | GLYCEROL, Proto-oncogene tyrosine-protein kinase ABL1 | | Authors: | Camara-Artigas, A. | | Deposit date: | 2008-09-10 | | Release date: | 2009-09-15 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Role of interfacial water molecules in proline-rich ligand recognition by the Src homology 3 domain of Abl.
J.Biol.Chem., 285, 2010
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3VEG
 | | Rhodococcus jostii RHA1 DypB R244L variant in complex with heme | | Descriptor: | CHLORIDE ION, DypB, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Grigg, J.C, Singh, R, Armstrong, Z, Eltis, L.D, Murphy, M.E.P. | | Deposit date: | 2012-01-07 | | Release date: | 2012-01-18 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Distal heme pocket residues of B-type dye-decolorizing peroxidase: arginine but not aspartate is essential for peroxidase activity.
J.Biol.Chem., 287, 2012
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3V9L
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3VEX
 | | Crystal structure of the O-carbamoyltransferase TobZ H14N variant in complex with carbamoyl adenylate intermediate | | Descriptor: | 1,2-ETHANEDIOL, 5'-O-[(S)-(carbamoyloxy)(hydroxy)phosphoryl]adenosine, FE (II) ION, ... | | Authors: | Parthier, C, Stubbs, M.T, Goerlich, S, Jaenecke, F. | | Deposit date: | 2012-01-09 | | Release date: | 2012-01-25 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | The O-Carbamoyltransferase TobZ Catalyzes an Ancient Enzymatic Reaction.
Angew.Chem.Int.Ed.Engl., 51, 2012
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3EGG
 | | Crystal structure of a complex between Protein Phosphatase 1 alpha (PP1) and the PP1 binding and PDZ domains of Spinophilin | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLYCEROL, MANGANESE (II) ION, ... | | Authors: | Ragusa, M.J, Page, R, Peti, W. | | Deposit date: | 2008-09-10 | | Release date: | 2010-03-23 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Spinophilin directs protein phosphatase 1 specificity by blocking substrate binding sites.
Nat.Struct.Mol.Biol., 17, 2010
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3VFE
 | | Virtual Screening and X-Ray Crystallography for Human Kallikrein 6 Inhibitors with an Amidinothiophene P1 Group | | Descriptor: | 4-{[(3R)-3-{[(7-methoxynaphthalen-2-yl)sulfonyl](thiophen-3-ylmethyl)amino}-2-oxopyrrolidin-1-yl]methyl}thiophene-2-carboximidamide, Kallikrein-6 | | Authors: | Chen, X, Zhang, Y, Xia, T, Wang, R. | | Deposit date: | 2012-01-09 | | Release date: | 2012-11-21 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | Virtual Screening and X-ray Crystallography for Human Kallikrein 6 Inhibitors with an Amidinothiophene P1 Group.
Acs Med.Chem.Lett., 3, 2012
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3EGZ
 | | Crystal structure of an in vitro evolved tetracycline aptamer and artificial riboswitch | | Descriptor: | 7-CHLOROTETRACYCLINE, MAGNESIUM ION, Tetracycline aptamer and artificial riboswitch, ... | | Authors: | Xiao, H, Edwards, T.E, Ferre-D'Amare, A.R. | | Deposit date: | 2008-09-11 | | Release date: | 2008-10-28 | | Last modified: | 2021-10-20 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural basis for specific, high-affinity tetracycline binding by an in vitro evolved aptamer and artificial riboswitch
Chem.Biol., 15, 2008
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4OCI
 | | Crystal Structure of Calcium Binding Protein-5 from Entamoeba histolytica and its involvement in initiation of phagocytosis of human erythrocytes | | Descriptor: | ACETATE ION, CALCIUM ION, Calmodulin, ... | | Authors: | Kumar, S, Manjasetty, A.B, Zaidi, R, Gourinath, S. | | Deposit date: | 2014-01-09 | | Release date: | 2014-12-24 | | Last modified: | 2017-11-22 | | Method: | X-RAY DIFFRACTION (2.009 Å) | | Cite: | Crystal Structure of Calcium Binding Protein-5 from Entamoeba histolytica and Its Involvement in Initiation of Phagocytosis of Human Erythrocytes.
Plos Pathog., 10, 2014
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4ODF
 | | Co-Crystal Structure of MDM2 with Inhibitor Compound 47 | | Descriptor: | 6-{[(2S,5R,6R)-4-[(1S)-2-(tert-butylsulfonyl)-1-cyclopropylethyl]-6-(3-chlorophenyl)-5-(4-chlorophenyl)-2-methyl-3-oxomorpholin-2-yl]methyl}pyridine-3-carboxylic acid, E3 ubiquitin-protein ligase Mdm2 | | Authors: | Shaffer, P.L, Huang, X, Yakowec, P, Long, A.M. | | Deposit date: | 2014-01-10 | | Release date: | 2014-04-02 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.2006 Å) | | Cite: | Novel Inhibitors of the MDM2-p53 Interaction Featuring Hydrogen Bond Acceptors as Carboxylic Acid Isosteres.
J.Med.Chem., 57, 2014
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3VED
 | | Rhodococcus jostii RHA1 DypB D153H variant in complex with heme | | Descriptor: | CHLORIDE ION, DypB, GLYCEROL, ... | | Authors: | Grigg, J.C, Singh, R, Armstrong, Z, Eltis, L.D, Murphy, M.E.P. | | Deposit date: | 2012-01-07 | | Release date: | 2012-01-18 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Distal heme pocket residues of B-type dye-decolorizing peroxidase: arginine but not aspartate is essential for peroxidase activity.
J.Biol.Chem., 287, 2012
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3ELO
 | | Crystal Structure of Human Pancreatic Prophospholipase A2 | | Descriptor: | Phospholipase A2, SULFATE ION | | Authors: | Xu, W, Yi, L, Feng, Y, Chen, L, Liu, J. | | Deposit date: | 2008-09-22 | | Release date: | 2009-04-14 | | Last modified: | 2014-02-05 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Structural insight into the activation mechanism of human pancreatic prophospholipase A2
J.Biol.Chem., 284, 2009
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3ENK
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3EOX
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3VL3
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3VGB
 | | Crystal structure of glycosyltrehalose trehalohydrolase (GTHase) from Sulfolobus solfataricus KM1 | | Descriptor: | CITRATE ANION, GLYCEROL, Malto-oligosyltrehalose trehalohydrolase | | Authors: | Okazaki, N, Tamada, T, Feese, M.D, Kato, M, Miura, Y, Komeda, T, Kobayashi, K, Kondo, K, Kuroki, R. | | Deposit date: | 2011-08-09 | | Release date: | 2012-06-20 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Substrate recognition mechanism of a glycosyltrehalose trehalohydrolase from Sulfolobus solfataricus KM1.
Protein Sci., 21, 2012
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4OHB
 | | Crystal structure of MilB E103A in complex with 5-hydroxymethylcytidine 5'-monophosphate (hmCMP) from Streptomyces rimofaciens | | Descriptor: | 5-(hydroxymethyl)cytidine 5'-(dihydrogen phosphate), CMP/hydroxymethyl CMP hydrolase | | Authors: | Zhao, G, Zhang, Y, Liu, G, Wu, G, He, X. | | Deposit date: | 2014-01-17 | | Release date: | 2014-06-25 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structure of the N-glycosidase MilB in complex with hydroxymethyl CMP reveals its Arg23 specifically recognizes the substrate and controls its entry
Nucleic Acids Res., 42, 2014
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3EO2
 | | Crystal structure of the RhoGEF domain of human neuroepithelial cell-transforming gene 1 protein | | Descriptor: | Neuroepithelial cell-transforming gene 1 protein, UNKNOWN ATOM OR ION | | Authors: | Nedyalkova, L, Tong, Y, Tempel, W, MacKenzie, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Bochkarev, A, Park, H, Structural Genomics Consortium (SGC) | | Deposit date: | 2008-09-26 | | Release date: | 2008-10-07 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Crystal structure of the RhoGEF domain of human neuroepithelial cell-transforming gene 1 protein
To be Published
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3EOM
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