3U5T
 
 | | The crystal structure of 3-oxoacyl-[acyl-carrier-protein] reductase from Sinorhizobium meliloti | | Descriptor: | 3-oxoacyl-[acyl-carrier-protein] reductase | | Authors: | Zhang, Z, Chamala, S, Evans, B, Foti, R, Gizzi, A, Hillerich, B, Kar, A, LaFleur, J, Seidel, R, Villigas, G, Zencheck, W, Almo, S.C, Swaminathan, S, New York Structural Genomics Research Consortium (NYSGRC) | | Deposit date: | 2011-10-11 | | Release date: | 2011-11-09 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | The crystal structure of 3-oxoacyl-[acyl-carrier-protein] reductase from Sinorhizobium meliloti
To be Published
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3R0T
 | | Crystal structure of human protein kinase CK2 alpha subunit in complex with the inhibitor CX-5279 | | Descriptor: | 1,2-ETHANEDIOL, 3-(cyclopropylamino)-5-{[3-(trifluoromethyl)phenyl]amino}pyrimido[4,5-c]quinoline-8-carboxylic acid, Casein kinase II subunit alpha, ... | | Authors: | Battistutta, R, Papinutto, E, Lolli, G, Pierre, F, Haddach, M, Ryckman, D.M. | | Deposit date: | 2011-03-09 | | Release date: | 2011-12-07 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Unprecedented selectivity and structural determinants of a new class of protein kinase CK2 inhibitors in clinical trials for the treatment of cancer.
Biochemistry, 50, 2011
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3R1Z
 | | Crystal structure of NYSGRC enolase target 200555, a putative dipeptide epimerase from Francisella philomiragia : Complex with L-Ala-L-Glu and L-Ala-D-Glu | | Descriptor: | ALANINE, D-GLUTAMIC ACID, Enzyme of enolase superfamily, ... | | Authors: | Vetting, M.W, Hillerich, B, Seidel, R.D, Zencheck, W.D, Toro, R, Imker, H.J, Gerlt, J.A, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC) | | Deposit date: | 2011-03-11 | | Release date: | 2011-04-20 | | Last modified: | 2012-03-28 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Homology models guide discovery of diverse enzyme specificities among dipeptide epimerases in the enolase superfamily.
Proc.Natl.Acad.Sci.USA, 109, 2012
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3R10
 | | Crystal structure of NYSGRC enolase target 200555, a putative dipeptide epimerase from Francisella philomiragia : Mg complex | | Descriptor: | Enzyme of enolase superfamily, GLYCEROL, MAGNESIUM ION, ... | | Authors: | Vetting, M.W, Hillerich, B, Seidel, R.D, Zencheck, W.D, Toro, R, Imker, H.J, Gerlt, J.A, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC) | | Deposit date: | 2011-03-09 | | Release date: | 2011-04-20 | | Last modified: | 2012-03-28 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Homology models guide discovery of diverse enzyme specificities among dipeptide epimerases in the enolase superfamily.
Proc.Natl.Acad.Sci.USA, 109, 2012
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3UBO
 | | The crystal structure of adenosine kinase from Sinorhizobium meliloti | | Descriptor: | ADENOSINE, ADENOSINE-5'-DIPHOSPHATE, adenosine kinase | | Authors: | Zhang, Z, Chamala, S, Evans, B, Foti, R, Gizzi, A, Hillerich, B, Kar, A, LaFleur, J, Seidel, R, Villigas, G, Zencheck, W, Almo, S.C, Swaminathan, S, New York Structural Genomics Research Consortium (NYSGRC) | | Deposit date: | 2011-10-24 | | Release date: | 2011-11-09 | | Method: | X-RAY DIFFRACTION (2.601 Å) | | Cite: | The crystal structure of adenosine kinase from Sinorhizobium meliloti
To be Published
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3TZF
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3U9I
 | | The crystal structure of Mandelate racemase/muconate lactonizing enzyme from Roseiflexus sp. | | Descriptor: | Mandelate racemase/muconate lactonizing enzyme, C-terminal domain protein, SULFATE ION | | Authors: | Zhang, Z, Chamala, S, Evans, B, Foti, R, Gizzi, A, Hillerich, B, Kar, A, LaFleur, J, Seidel, R, Villigas, G, Zencheck, W, Almo, S.C, Swaminathan, S, New York Structural Genomics Research Consortium (NYSGRC) | | Deposit date: | 2011-10-19 | | Release date: | 2011-11-09 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | The crystal structure of Mandelate racemase/muconate lactonizing enzyme from Roseiflexus sp.
TO BE PUBLISHED
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3TOX
 | | Crystal structure of a short chain dehydrogenase in complex with NAD(P) from Sinorhizobium meliloti 1021 | | Descriptor: | NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Short chain dehydrogenase | | Authors: | Agarwal, R, Chamala, S, Evans, B, Foti, R, Gizzi, A, Hillerich, B, Kar, A, LaFleur, J, Seidel, R, Villigas, G, Zencheck, W, Almo, S.C, Swaminathan, S, New York Structural Genomics Research Consortium (NYSGRC) | | Deposit date: | 2011-09-06 | | Release date: | 2011-09-21 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | Crystal structure of a short chain dehydrogenase in complex with NAD(P) from Sinorhizobium meliloti 1021
To be Published
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3TXV
 | | Crystal structure of a probable tagatose 6 phosphate kinase from Sinorhizobium meliloti 1021 | | Descriptor: | Probable tagatose 6-phosphate kinase | | Authors: | Agarwal, R, Chamala, S, Evans, B, Foti, R, Gizzi, A, Hillerich, B, Kar, A, LaFleur, J, Seidel, R, Villigas, G, Zencheck, W, Almo, S.C, Swaminathan, S, New York Structural Genomics Research Consortium (NYSGRC) | | Deposit date: | 2011-09-23 | | Release date: | 2011-10-12 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Crystal structure of a probable tagatose 6 phosphate kinase from Sinorhizobium meliloti 1021
To be Published
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3TS7
 | | CRYSTAL STRUCTURE OF FARNESYL DIPHOSPHATE SYNTHASE (TARGET EFI-501951) FROM Methylococcus capsulatus | | Descriptor: | Geranyltranstransferase, PHOSPHATE ION | | Authors: | Patskovsky, Y, Toro, R, Bhosle, R, Hillerich, B, Seidel, R.D, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Zencheck, W.D, Imker, H.J, Poulter, C.D, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | | Deposit date: | 2011-09-12 | | Release date: | 2011-10-26 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | Prediction of function for the polyprenyl transferase subgroup in the isoprenoid synthase superfamily.
Proc.Natl.Acad.Sci.USA, 110, 2013
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3TVZ
 | | Structure of Bacillus subtilis HmoB | | Descriptor: | Putative uncharacterized protein yhgC | | Authors: | Choe, J, Choi, S, Park, S. | | Deposit date: | 2011-09-21 | | Release date: | 2012-07-11 | | Last modified: | 2019-10-09 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Bacillus subtilis HmoB is a heme oxygenase with a novel structure.
Bmb Rep, 45, 2012
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3U3X
 | | Crystal structure of a putative oxidoreductase from Sinorhizobium meliloti 1021 | | Descriptor: | ACETATE ION, Oxidoreductase | | Authors: | Agarwal, R, Chamala, S, Evans, B, Foti, R, Gizzi, A, Hillerich, B, Kar, A, LaFleur, J, Seidel, R, Villigas, G, Zencheck, W, Almo, S.C, Swaminathan, S, New York Structural Genomics Research Consortium (NYSGRC) | | Deposit date: | 2011-10-06 | | Release date: | 2011-10-19 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (2.79 Å) | | Cite: | Crystal structure of a putative oxidoreductase from Sinorhizobium meliloti 1021
To be Published
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5X11
 | | Crystal structure of Bacillus subtilis PadR in complex with operator DNA | | Descriptor: | DNA (28-MER), Transcriptional regulator | | Authors: | Park, S.C, Kwak, Y.M, Song, W.S, Hong, M, Yoon, S.I. | | Deposit date: | 2017-01-24 | | Release date: | 2017-11-22 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Structural basis of effector and operator recognition by the phenolic acid-responsive transcriptional regulator PadR
Nucleic Acids Res., 45, 2017
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5X14
 | | Crystal structure of Bacillus subtilis PadR in complex with ferulic acid | | Descriptor: | 3-(4-HYDROXY-3-METHOXYPHENYL)-2-PROPENOIC ACID, GLYCEROL, Transcriptional regulator | | Authors: | Park, S.C, Kwak, Y.M, Song, W.S, Hong, M, Yoon, S.I. | | Deposit date: | 2017-01-24 | | Release date: | 2017-11-22 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.68 Å) | | Cite: | Structural basis of effector and operator recognition by the phenolic acid-responsive transcriptional regulator PadR
Nucleic Acids Res., 45, 2017
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5U4F
 | | Wild-type Transthyretin in complex with 1,1'-(1E)-(1,2-Ethenediyl)bis[2-chloro-4-boronic acid]benzene | | Descriptor: | Transthyretin, [(E)-ethene-1,2-diylbis(3-chloro-4,1-phenylene)]diboronic acid | | Authors: | Windsor, I.W, Smith, T.P, Raines, R.T, Forest, K.T. | | Deposit date: | 2016-12-03 | | Release date: | 2017-09-27 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Stilbene Boronic Acids Form a Covalent Bond with Human Transthyretin and Inhibit Its Aggregation.
J. Med. Chem., 60, 2017
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5TKS
 | | FACTOR XIA IN COMPLEX WITH THE INHIBITOR ((15S)-18-CHLORO- 15-(((2E)-3-(5-CHLORO-2-(1H-TETRAZOL-1-YL)PHENYL)-2- PROPENOYL)AMINO)-17,19-DIAZATRICYCLO[14.2.1.0~2,7~]NONADECA-1(18),2,4,6,16(19)-PENTAEN-5-YL)CARBAMATE | | Descriptor: | ((15S)-18-CHLORO- 15-(((2E)-3-(5-CHLORO-2-(1H-TETRAZOL-1-YL)PHENYL)-2- PROPENOYL)AMINO)-17,19-DIAZATRICYCLO[14.2.1.0~2,7~]NONADECA-1(18),2,4,6,16(19)-PENTAEN-5-YL)CARBAMATE, 1,2-ETHANEDIOL, Coagulation factor XI, ... | | Authors: | Sheriff, S. | | Deposit date: | 2016-10-07 | | Release date: | 2017-03-01 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Structure-Based Design of Macrocyclic Factor XIa Inhibitors: Discovery of the Macrocyclic Amide Linker.
J. Med. Chem., 60, 2017
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5TKU
 | | FACTOR XIA IN COMPLEX WITH THE INHIBITOR METHYL ((15S)-15-(((2E)-3-(5-CHLORO-2-(1H-TETRAZOL-1-YL)PHENYL)-2-PROPENOYL)AMINO)-9-OXO-8,17,19-TRIAZATRICYCLO[14.2.1.0~2,7~]NONADECA-1(18),2,4,6,16(19)-PENTAEN-5-YL)CARBAMATE | | Descriptor: | 1,2-ETHANEDIOL, Factor XIa (Light Chain), METHYL ((15S)-15-(((2E)-3-(5-CHLORO-2-(1H-TETRAZOL-1-YL)PHENYL)-2-PROPENOYL)AMINO)-9-OXO-8,17,19-TRIAZATRICYCLO[14.2.1.0~2,7~]N ONADECA-1(18),2,4,6,16(19)-PENTAEN-5-YL)CARBAMATE, ... | | Authors: | Sheriff, S. | | Deposit date: | 2016-10-07 | | Release date: | 2017-03-01 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.12 Å) | | Cite: | Structure-Based Design of Macrocyclic Factor XIa Inhibitors: Discovery of the Macrocyclic Amide Linker.
J. Med. Chem., 60, 2017
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7BEU
 | | Human glutathione transferase M1-1 | | Descriptor: | Glutathione S-transferase Mu 1, SODIUM ION | | Authors: | Papageorgiou, A.C, Poudel, N. | | Deposit date: | 2020-12-28 | | Release date: | 2022-01-12 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.59 Å) | | Cite: | Ligandability Assessment of Human Glutathione Transferase M1-1 Using Pesticides as Chemical Probes.
Int J Mol Sci, 23, 2022
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5X12
 | | Crystal structure of Bacillus subtilis PadR | | Descriptor: | Transcriptional regulator | | Authors: | Park, S.C, Kwak, Y.M, Song, W.S, Hong, M, Yoon, S.I. | | Deposit date: | 2017-01-24 | | Release date: | 2017-11-22 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structural basis of effector and operator recognition by the phenolic acid-responsive transcriptional regulator PadR
Nucleic Acids Res., 45, 2017
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5X13
 | | Crystal structure of Bacillus subtilis PadR in complex with p-coumaric acid | | Descriptor: | 4'-HYDROXYCINNAMIC ACID, GLYCEROL, Transcriptional regulator | | Authors: | Park, S.C, Kwak, Y.M, Song, W.S, Hong, M, Yoon, S.I. | | Deposit date: | 2017-01-24 | | Release date: | 2017-11-22 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structural basis of effector and operator recognition by the phenolic acid-responsive transcriptional regulator PadR
Nucleic Acids Res., 45, 2017
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5Z72
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5TKT
 | | FACTOR XIA IN COMPLEX WITH THE INHIBITOR METHYL ((12E,15S)-15-(((2E)-3-(5-CHLORO-2-(1H-TETRAZOL-1-YL)PHENYL)-2-PROPENOYL)AMINO)-9-OXO-8,17,19-TRIAZATRICYCLO[14.2.1.0~2,7~]NONADECA-1(18),2,4,6,12,16(19)-HEXAEN-5-YL)CARBAMATE | | Descriptor: | 1,2-ETHANEDIOL, Factor XIa (Light Chain), METHYL ((12E,15S)-15-(((2E)-3-(5-CHLORO-2-(1H-TETRAZOL-1-YL)PHENYL)-2-PROPENOYL)AMINO)-9-OXO-8,17,19-TRIAZATRICYCLO[14.2.1.0~2, ... | | Authors: | Sheriff, S. | | Deposit date: | 2016-10-07 | | Release date: | 2017-03-01 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.12 Å) | | Cite: | Structure-Based Design of Macrocyclic Factor XIa Inhibitors: Discovery of the Macrocyclic Amide Linker.
J. Med. Chem., 60, 2017
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3CZ0
 | | Dimeric crystal structure of a pheromone binding protein from Apis mellifera in complex with the n-butyl benzene sulfonamide at pH 7.0 | | Descriptor: | (2Z)-9-oxodec-2-enoic acid, CHLORIDE ION, GLYCEROL, ... | | Authors: | Pesenti, M.E, Spinelli, S, Bezirard, V, Briand, L, Pernollet, J.C, Tegoni, M, Cambillau, C. | | Deposit date: | 2008-04-27 | | Release date: | 2009-04-28 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Queen bee pheromone binding protein pH-induced domain swapping favors pheromone release
J.Mol.Biol., 390, 2009
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3FW5
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3FW4
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