4V8J
 
 | | Crystal structure of the bacterial ribosome ram mutation G347U. | | Descriptor: | 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ... | | Authors: | Fagan, C.E, Dunkle, J.A, Maehigashi, T, Dunham, C.M. | | Deposit date: | 2011-12-20 | | Release date: | 2014-07-09 | | Last modified: | 2019-07-17 | | Method: | X-RAY DIFFRACTION (3.9 Å) | | Cite: | Reorganization of an intersubunit bridge induced by disparate 16S ribosomal ambiguity mutations mimics an EF-Tu-bound state.
Proc.Natl.Acad.Sci.USA, 110, 2013
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7Z7B
 | | Crystal structure of YTHDF2 with compound YLI_DC1_003 | | Descriptor: | CHLORIDE ION, GLYCEROL, SULFATE ION, ... | | Authors: | Nai, F, Li, Y, Dolbois, A, Caflisch, A. | | Deposit date: | 2022-03-15 | | Release date: | 2022-06-22 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Fragment Ligands of the m 6 A-RNA Reader YTHDF2.
Acs Med.Chem.Lett., 13, 2022
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7Z5M
 | | Crystal structure of YTHDF2 with compound YLI_DC1_008 | | Descriptor: | CHLORIDE ION, GLYCEROL, SULFATE ION, ... | | Authors: | Nai, F, Li, Y, Caflisch, A. | | Deposit date: | 2022-03-09 | | Release date: | 2022-06-22 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Fragment Ligands of the m 6 A-RNA Reader YTHDF2.
Acs Med.Chem.Lett., 13, 2022
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7Z54
 | | Crystal structure of YTHDF2 with compound YLI_DC1_006 | | Descriptor: | 9-cyclopropyl-~{N}-methyl-purin-6-amine, CHLORIDE ION, GLYCEROL, ... | | Authors: | Nai, F, Li, Y, Dolbois, A, Caflisch, A. | | Deposit date: | 2022-03-07 | | Release date: | 2022-06-22 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.82 Å) | | Cite: | Fragment Ligands of the m 6 A-RNA Reader YTHDF2.
Acs Med.Chem.Lett., 13, 2022
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4FAG
 | | Crystal Structure of the Salicylate 1,2-dioxygenase from Pseudoaminobacter salicylatoxidans W104Y mutant in complex with gentisate | | Descriptor: | 2,5-dihydroxybenzoic acid, FE (III) ION, GLYCEROL, ... | | Authors: | Ferraroni, M, Briganti, F, Matera, I. | | Deposit date: | 2012-05-22 | | Release date: | 2012-09-26 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | The generation of a 1-hydroxy-2-naphthoate 1,2-dioxygenase by single point mutations of salicylate 1,2-dioxygenase - Rational design of mutants and the crystal structures of the A85H and W104Y variants.
J.Struct.Biol., 180, 2012
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3UHP
 | | Crystal Structure of Glutamate Racemase from Campylobacter jejuni subsp. jejuni | | Descriptor: | Glutamate racemase | | Authors: | Maltseva, N, Mulligan, R, Kwon, K, Kim, Y, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2011-11-03 | | Release date: | 2012-05-30 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.794 Å) | | Cite: | Crystal Structure of Glutamate Racemase
from Campylobacter jejuni subsp. jejuni
To be Published, 2011
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4F1Q
 | | Human Artd8 (Parp14, Bal2) - catalytic domain in complex with A16(E) | | Descriptor: | (2E)-4-[(3-carbamoylphenyl)amino]-4-oxobut-2-enoic acid, NITRATE ION, Poly [ADP-ribose] polymerase 14 | | Authors: | Karlberg, T, Andersson, C.D, Lindgren, A, Spjut, S, Thorsell, A.G, Ekblad, T, Weigelt, J, Elofsson, M, Linusson, A, Schuler, H. | | Deposit date: | 2012-05-07 | | Release date: | 2012-09-05 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Discovery of Ligands for ADP-Ribosyltransferases via Docking-Based Virtual Screening.
J.Med.Chem., 55, 2012
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3UN3
 | | phosphopentomutase T85Q variant soaked with glucose 1,6-bisphosphate | | Descriptor: | 1,6-di-O-phosphono-alpha-D-glucopyranose, GLYCEROL, MANGANESE (II) ION, ... | | Authors: | Iverson, T.M, Birmingham, W.R, Panosian, T.D, Nannemann, D.P, Bachmann, B.O. | | Deposit date: | 2011-11-15 | | Release date: | 2012-02-29 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Molecular Differences between a Mutase and a Phosphatase: Investigations of the Activation Step in Bacillus cereus Phosphopentomutase.
Biochemistry, 51, 2012
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2G35
 | | NMR structure of talin-PTB in complex with PIPKI | | Descriptor: | Talin-1, peptide | | Authors: | Kong, X, Wang, X, Misra, S, Qin, J. | | Deposit date: | 2006-02-17 | | Release date: | 2006-05-02 | | Last modified: | 2022-03-09 | | Method: | SOLUTION NMR | | Cite: | Structural Basis for the Phosphorylation-regulated Focal Adhesion Targeting of Type Igamma Phosphatidylinositol Phosphate Kinase (PIPKIgamma) by Talin.
J.Mol.Biol., 359, 2006
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3UHF
 | | Crystal Structure of Glutamate Racemase from Campylobacter jejuni subsp. jejuni | | Descriptor: | CHLORIDE ION, D-GLUTAMIC ACID, GLYCEROL, ... | | Authors: | Maltseva, N, Mulligan, R, Kwon, K, Kim, Y, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2011-11-03 | | Release date: | 2012-05-30 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.83 Å) | | Cite: | Crystal Structure of Glutamate Racemase
from Campylobacter jejuni subsp. jejuni
To be Published
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5KXJ
 | | Crystal Structure of L-Aspartate Oxidase from Salmonella typhimurium in the Complex with Substrate L-Aspartate | | Descriptor: | 1,2-ETHANEDIOL, ASPARTIC ACID, GLYCEROL, ... | | Authors: | Kim, Y, Osipiuk, J, Mulligan, R, Makowska-Grzyska, M, Maltseva, N, Shatsman, S, Gu, M, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2016-07-20 | | Release date: | 2016-08-03 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.87 Å) | | Cite: | Crystal Structure of L-Aspartate Oxidase from Salmonella typhimurium in the Complex with Substrate L-Aspartate
To Be Published
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3UO0
 | | phosphorylated Bacillus cereus phosphopentomutase soaked with glucose 1,6-bisphosphate | | Descriptor: | 1,6-di-O-phosphono-alpha-D-glucopyranose, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, MANGANESE (II) ION, ... | | Authors: | Iverson, T.M, Birmingham, W.R, Panosian, T.D, Nannemann, D.P, Bachmann, B.O. | | Deposit date: | 2011-11-16 | | Release date: | 2012-02-29 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Molecular Differences between a Mutase and a Phosphatase: Investigations of the Activation Step in Bacillus cereus Phosphopentomutase.
Biochemistry, 51, 2012
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5ES4
 | | RE-REFINEMENT OF INTEGRIN ALPHAXBETA2 ECTODOMAIN IN THE CLOSED/BENT CONFORMATION | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | Authors: | Sen, M, Springer, T.A. | | Deposit date: | 2015-11-16 | | Release date: | 2016-03-02 | | Last modified: | 2022-03-23 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Leukocyte integrin alpha L beta 2 headpiece structures: The alpha I domain, the pocket for the internal ligand, and concerted movements of its loops.
Proc.Natl.Acad.Sci.USA, 113, 2016
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7CK5
 | | Solution structure of 28 amino acid polypeptide (354-381) in Plantago asiatica mosaic virus replicase bound to SDS micelle | | Descriptor: | PlAMV replicase peptide from RNA-dependent RNA polymerase | | Authors: | Komatsu, K, Sasaki, N, Yoshida, T, Suzuki, K, Masujima, Y, Hashimoto, M, Watanabe, S, Tochio, N, Kigawa, T, Yamaji, Y, Oshima, K, Namba, S, Nelson, R, Arie, T. | | Deposit date: | 2020-07-15 | | Release date: | 2021-07-21 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Identification of a Proline-Kinked Amphipathic alpha-Helix Downstream from the Methyltransferase Domain of a Potexvirus Replicase and Its Role in Virus Replication and Perinuclear Complex Formation.
J.Virol., 95, 2021
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1F4D
 | | CRYSTAL STRUCTURE OF E. COLI THYMIDYLATE SYNTHASE C146S, L143C COVALENTLY MODIFIED AT C143 WITH N-[TOSYL-D-PROLINYL]AMINO-ETHANETHIOL | | Descriptor: | GLYCEROL, N-[TOSYL-D-PROLINYL]AMINO-ETHANETHIOL, SULFATE ION, ... | | Authors: | Erlanson, D.A, Braisted, A.C, Raphael, D.R, Randal, M, Stroud, R.M, Gordon, E, Wells, J.A. | | Deposit date: | 2000-06-07 | | Release date: | 2000-06-22 | | Last modified: | 2021-11-03 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Site-directed ligand discovery.
Proc.Natl.Acad.Sci.USA, 97, 2000
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7D6J
 | | Human serum albumin complexed with benzbromarone | | Descriptor: | Serum albumin, [3,5-bis(bromanyl)-4-oxidanyl-phenyl]-(2-ethyl-1-benzofuran-3-yl)methanone | | Authors: | Kawai, A, Yamasaki, K. | | Deposit date: | 2020-09-30 | | Release date: | 2021-02-03 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (3.29 Å) | | Cite: | Interaction of Benzbromarone with Subdomains IIIA and IB/IIA on Human Serum Albumin as the Primary and Secondary Binding Regions.
Mol Pharm., 18, 2021
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7T10
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7T11
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1F4F
 | | CRYSTAL STRUCTURE OF E. COLI THYMIDYLATE SYNTHASE COMPLEXED WITH SP-722 | | Descriptor: | 4-[[GLUTAMIC ACID]-CARBONYL]-BENZENE-SULFONYL-D-PROLINE, SULFATE ION, THYMIDYLATE SYNTHASE | | Authors: | Erlanson, D.A, Braisted, A.C, Raphael, D.R, Randal, M, Stroud, R.M, Gordon, E, Wells, J.A. | | Deposit date: | 2000-06-07 | | Release date: | 2000-06-22 | | Last modified: | 2021-11-03 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Site-directed ligand discovery.
Proc.Natl.Acad.Sci.USA, 97, 2000
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3I6O
 | | Crystal structure of wild type HIV-1 protease with macrocyclic inhibitor GRL-0216A | | Descriptor: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(1S,2R)-1-benzyl-2-hydroxy-3-[(7E)-13-methoxy-1,1-dioxido-3,4,5,6,9,10-hexahydro-2H-11,1,2-benzoxathiazacyclotridecin-2-yl]propyl}carbamate, GLYCEROL, IODIDE ION, ... | | Authors: | Chumanevich, A.A, Wang, Y.-F, Kovalevsky, A.Y, Weber, I.T. | | Deposit date: | 2009-07-07 | | Release date: | 2009-09-29 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.17 Å) | | Cite: | Design, Synthesis, Protein-Ligand X-ray Structure, and Biological Evaluation of a Series of Novel Macrocyclic Human Immunodeficiency Virus-1 Protease Inhibitors to Combat Drug Resistance.
J.Med.Chem., 52, 2009
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5B82
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5ICR
 | | 2.25 Angstrom Resolution Crystal Structure of Fatty-Acid-CoA Ligase (FadD32) from Mycobacterium smegmatis in complex with Inhibitor 5'-O-[(11-phenoxyundecanoyl)sulfamoyl]adenosine. | | Descriptor: | 5'-O-[(11-phenoxyundecanoyl)sulfamoyl]adenosine, Acyl-CoA synthase, CHLORIDE ION, ... | | Authors: | Minasov, G, Shuvalova, L, Hung, D, Fisher, S.L, Edelstein, J, Kiryukhina, O, Dubrovska, I, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2016-02-23 | | Release date: | 2016-04-06 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | 2.25 Angstrom Resolution Crystal Structure of Fatty-Acid-CoA Ligase (FadD32) from Mycobacterium smegmatis in complex with Inhibitor 5'-O-[(11-phenoxyundecanoyl)sulfamoyl]adenosine.
To Be Published
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3O2U
 | | S. cerevisiae Ubc12 | | Descriptor: | GLYCEROL, NEDD8-conjugating enzyme UBC12 | | Authors: | Scott, D.C, Monda, J.K, Grace, C.R.R, Duda, D.M, Kriwacki, R.W, Kurz, T, Schulman, B.A. | | Deposit date: | 2010-07-22 | | Release date: | 2010-09-15 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.003 Å) | | Cite: | A dual E3 mechanism for Rub1 ligation to Cdc53.
Mol.Cell, 39, 2010
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7ZG4
 | | Crystal structure of YTHDF2 with compound YLI_DF_042 | | Descriptor: | GLYCEROL, N-methylpyrimidine-2-carboximidamide, SULFATE ION, ... | | Authors: | Nai, F, Li, Y, Caflisch, A. | | Deposit date: | 2022-04-01 | | Release date: | 2022-04-20 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | Fragment Ligands of the m 6 A-RNA Reader YTHDF2.
Acs Med.Chem.Lett., 13, 2022
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1PO2
 | | POLIOVIRUS (TYPE 1, MAHONEY) IN COMPLEX WITH R77975, AN INHIBITOR OF VIRAL REPLICATION | | Descriptor: | (METHYLPYRIDAZINE PIPERIDINE ETHYLOXYPHENYL)ETHYLACETATE, MYRISTIC ACID, POLIOVIRUS TYPE 1 MAHONEY | | Authors: | Hiremath, C.N, Filman, D.J, Grant, R.A, Hogle, J.M. | | Deposit date: | 1997-01-08 | | Release date: | 1997-12-03 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Ligand-induced conformational changes in poliovirus-antiviral drug complexes.
Acta Crystallogr.,Sect.D, 53, 1997
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