6NU9
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6B7C
| Crystal structure of E.coli Phosphopantetheine Adenylyltransferase (PPAT/CoaD) in complex with N-((1,3-dimethyl-1H-pyrazol-5-yl)methyl)-5-methyl-1H-imidazo[4,5-b]pyridin-2-amine | Descriptor: | DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, N-[(1,3-dimethyl-1H-pyrazol-5-yl)methyl]-5-methyl-3H-imidazo[4,5-b]pyridin-2-amine, ... | Authors: | Proudfoot, A.W, Bussiere, D, Lingel, A. | Deposit date: | 2017-10-03 | Release date: | 2017-12-27 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.564 Å) | Cite: | High-Confidence Protein-Ligand Complex Modeling by NMR-Guided Docking Enables Early Hit Optimization. J. Am. Chem. Soc., 139, 2017
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6B7A
| Crystal structure of E.coli Phosphopantetheine Adenylyltransferase (PPAT/CoaD) in complex with 2-methyl-1H-benzo[d]imidazol-4-ol | Descriptor: | 2-methyl-1H-benzimidazol-7-ol, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Proudfoot, A.W, Bussiere, D, Lingel, A. | Deposit date: | 2017-10-03 | Release date: | 2017-12-27 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.991 Å) | Cite: | High-Confidence Protein-Ligand Complex Modeling by NMR-Guided Docking Enables Early Hit Optimization. J. Am. Chem. Soc., 139, 2017
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6B7F
| Crystal structure of E.coli Phosphopantetheine Adenylyltransferase (PPAT/CoaD) in complex with (R)-3,3-dimethyl-4-(5-vinyl-1H-imidazol-1-yl)isochroman-1-one | Descriptor: | (4R)-4-(5-ethenyl-1H-imidazol-1-yl)-3,3-dimethyl-3,4-dihydro-1H-2-benzopyran-1-one, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DIMETHYL SULFOXIDE, ... | Authors: | Proudfoot, A.W, Bussiere, D, Lingel, A. | Deposit date: | 2017-10-03 | Release date: | 2017-12-27 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.562 Å) | Cite: | High-Confidence Protein-Ligand Complex Modeling by NMR-Guided Docking Enables Early Hit Optimization. J. Am. Chem. Soc., 139, 2017
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6B7D
| Crystal structure of E.coli Phosphopantetheine Adenylyltransferase (PPAT/CoaD) in complex with 3-(4-chlorophenyl)-6-methoxy-4,5-dimethylpyridazine | Descriptor: | 3-(4-chlorophenyl)-6-methoxy-4,5-dimethylpyridazine, DIMETHYL SULFOXIDE, POTASSIUM ION, ... | Authors: | Proudfoot, A.W, Bussiere, D, Lingel, A. | Deposit date: | 2017-10-03 | Release date: | 2017-12-27 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | High-Confidence Protein-Ligand Complex Modeling by NMR-Guided Docking Enables Early Hit Optimization. J. Am. Chem. Soc., 139, 2017
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6B7E
| Crystal structure of E.coli Phosphopantetheine Adenylyltransferase (PPAT/CoaD) in complex with (R)-4-(5-(difluoromethyl)-1H-imidazol-1-yl)-3,3-dimethylisochroman-1-one | Descriptor: | (4R)-4-[5-(difluoromethyl)-1H-imidazol-1-yl]-3,3-dimethyl-3,4-dihydro-1H-2-benzopyran-1-one, DIMETHYL SULFOXIDE, Phosphopantetheine adenylyltransferase, ... | Authors: | Proudfoot, A.W, Bussiere, D, Lingel, A. | Deposit date: | 2017-10-03 | Release date: | 2017-12-27 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.104 Å) | Cite: | High-Confidence Protein-Ligand Complex Modeling by NMR-Guided Docking Enables Early Hit Optimization. J. Am. Chem. Soc., 139, 2017
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6B7B
| Crystal structure of E.coli Phosphopantetheine Adenylyltransferase (PPAT/CoaD) in complex with 5-methoxy-2-methyl-1H-indole | Descriptor: | 5-methoxy-2-methyl-1H-indole, DIMETHYL SULFOXIDE, PYROPHOSPHATE 2-, ... | Authors: | Proudfoot, A.W, Bussiere, D, Lingel, A. | Deposit date: | 2017-10-03 | Release date: | 2017-12-27 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.981 Å) | Cite: | High-Confidence Protein-Ligand Complex Modeling by NMR-Guided Docking Enables Early Hit Optimization. J. Am. Chem. Soc., 139, 2017
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2ME6
| NMR Structure of the homeodomain transcription factor Gbx1 from Homo sapiens in complex with the DNA sequence CGACTAATTAGTCG | Descriptor: | DNA (5'-D(*CP*GP*AP*CP*TP*AP*AP*TP*TP*AP*GP*TP*CP*G)-3'), Homeobox protein GBX-1 | Authors: | Proudfoot, A, Serrano, P, Geralt, M, Wuthrich, K, Joint Center for Structural Genomics (JCSG), Partnership for Stem Cell Biology (STEMCELL) | Deposit date: | 2013-09-23 | Release date: | 2013-10-30 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | NMR Structure of the homeodomain transcription factor Gbx1 from Homo sapiens in complex with the DNA sequence CGACTAATTAGTCG To be Published
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2N8G
| NMR Structure of the homeodomain transcription factor Gbx1[E23R,R58E] from Homo sapiens | Descriptor: | Homeobox protein GBX-1 | Authors: | Proudfoot, A.K, Serrano, P, Geralt, M, Wuthrich, K, Joint Center for Structural Genomics (JCSG), Partnership for Stem Cell Biology (STEMCELL) | Deposit date: | 2015-10-15 | Release date: | 2015-10-28 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | NMR Structure of the homeodomain transcription factor Gbx1[E23R,R58E] from Homo sapiens To be Published
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2MCA
| NMR structure of the protein YP_002937094.1 from Eubacterium rectale | Descriptor: | Uncharacterized protein | Authors: | Proudfoot, A, Serrano, P, Geralt, M, Dutta, S, Wuthrich, K, Joint Center for Structural Genomics (JCSG) | Deposit date: | 2013-08-19 | Release date: | 2013-09-04 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | NMR structure of the protein YP_002937094.1 from Eubacterium rectale To be Published
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2ME0
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2M7O
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2M34
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2LYX
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2MMB
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2MW1
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1EQT
| MET-RANTES | Descriptor: | SULFATE ION, T-CELL SPECIFIC RANTES PROTEIN | Authors: | Hoover, D.M, Shaw, J, Gryczynski, Z, Proudfoot, A.E.I, Wells, T. | Deposit date: | 2000-04-06 | Release date: | 2000-04-19 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | The Crystal Structure of MET-RANTES: Comparison with Native RANTES and AOP-RANTES PROTEIN PEPT.LETT., 7, 2000
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1HRJ
| HUMAN RANTES, NMR, 13 STRUCTURES | Descriptor: | HUMAN REGULATED UPON ACTIVATION NORMAL T-CELL EXPRESSED AND SECRETED | Authors: | Chung, C, Cooke, R.M, Proudfoot, A.E.I, Wells, T.N.C. | Deposit date: | 1995-08-18 | Release date: | 1996-10-14 | Last modified: | 2022-02-23 | Method: | SOLUTION NMR | Cite: | The three-dimensional solution structure of RANTES. Biochemistry, 34, 1995
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5JBN
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1U4L
| human RANTES complexed to heparin-derived disaccharide I-S | Descriptor: | 4-deoxy-2-O-sulfo-alpha-L-threo-hex-4-enopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose, ACETIC ACID, Small inducible cytokine A5 | Authors: | Shaw, J.P, Johnson, Z, Borlat, F, Zwahlen, C, Kungl, A, Roulin, K, Harrenga, A, Wells, T.N.C, Proudfoot, A.E.I. | Deposit date: | 2004-07-26 | Release date: | 2004-11-09 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The X-ray structure of RANTES: heparin-derived disaccharides allows the rational design of chemokine inhibitors. Structure, 12, 2004
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1U4M
| human RANTES complexed to heparin-derived disaccharide III-S | Descriptor: | 4-deoxy-2-O-sulfo-alpha-L-threo-hex-4-enopyranuronic acid-(1-4)-2-deoxy-2-(sulfoamino)-alpha-D-glucopyranose, ACETIC ACID, Small inducible cytokine A5 | Authors: | Shaw, J.P, Johnson, Z, Borlat, F, Zwahlen, C, Kungl, A, Roulin, K, Harrenga, A, Wells, T.N.C, Proudfoot, A.E.I. | Deposit date: | 2004-07-26 | Release date: | 2004-11-09 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The X-ray structure of RANTES: heparin-derived disaccharides allows the rational design of chemokine inhibitors. Structure, 12, 2004
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1U4P
| Crystal Structure of human RANTES mutant K45E | Descriptor: | ACETIC ACID, Small inducible cytokine A5 | Authors: | Shaw, J.P, Johnson, Z, Borlat, F, Zwahlen, C, Kungl, A, Roulin, K, Harrenga, A, Wells, T.N.C, Proudfoot, A.E.I. | Deposit date: | 2004-07-26 | Release date: | 2004-11-09 | Last modified: | 2021-10-20 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | The X-ray structure of RANTES: heparin-derived disaccharides allows the rational design of chemokine inhibitors. Structure, 12, 2004
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1PMI
| Candida Albicans Phosphomannose Isomerase | Descriptor: | PHOSPHOMANNOSE ISOMERASE, ZINC ION | Authors: | Cleasby, A, Skarzynski, T, Wonacott, A, Davies, G.J, Hubbard, R.E, Proudfoot, A.E.I, Wells, T.N.C, Payton, M.A, Bernard, A.R. | Deposit date: | 1996-04-03 | Release date: | 1997-03-01 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | The x-ray crystal structure of phosphomannose isomerase from Candida albicans at 1.7 angstrom resolution. Nat.Struct.Biol., 3, 1996
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1U4R
| Crystal Structure of human RANTES mutant 44-AANA-47 | Descriptor: | SULFATE ION, Small inducible cytokine A5 | Authors: | Shaw, J.P, Johnson, Z, Borlat, F, Zwahlen, C, Kungl, A, Roulin, K, Harrenga, A, Wells, T.N.C, Proudfoot, A.E.I. | Deposit date: | 2004-07-26 | Release date: | 2004-11-09 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | The X-ray structure of RANTES: heparin-derived disaccharides allows the rational design of chemokine inhibitors. Structure, 12, 2004
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