2AOA
| Crystal structures of a high-affinity macrocyclic peptide mimetic in complex with the Grb2 SH2 domain | Descriptor: | 2-(4-((9S,10S,14S,Z)-18-(2-AMINO-2-OXOETHYL)-9-(CARBOXYMETHYL)-14-(NAPHTHALEN-1-YLMETHYL)-8,17,20-TRIOXO-7,16,19-TRIAZASPIRO[5.14]ICOS-11-EN-10-YL)PHENYL)MALONIC ACID, 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, Growth factor receptor-bound protein 2 | Authors: | Phan, J, Shi, Z.D, Burke, T.R, Waugh, D.S. | Deposit date: | 2005-08-12 | Release date: | 2005-10-04 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Crystal Structures of a High-affinity Macrocyclic Peptide Mimetic in Complex with the Grb2 SH2 Domain. J.Mol.Biol., 353, 2005
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5AB6
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2BU5
| crystal structures of human pyruvate dehydrogenase kinase 2 containing physiological and synthetic ligands | Descriptor: | 4-({(2R,5S)-2,5-DIMETHYL-4-[(2R)-3,3,3-TRIFLUORO-2-HYDROXY-2-METHYLPROPANOYL]PIPERAZIN-1-YL}CARBONYL)BENZONITRILE, PYRUVATE DEHYDROGENASE KINASE ISOENZYME 2 | Authors: | Knoechel, T.R, Tucker, A.D, Robinson, C.M, Phillips, C, Taylor, W, Bungay, P.J, Kasten, S.A, Roche, T.E, Brown, D.G. | Deposit date: | 2005-06-08 | Release date: | 2006-02-02 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Regulatory Roles of the N-Terminal Domain Based on Crystal Structures of Human Pyruvate Dehydrogenase Kinase 2 Containing Physiological and Synthetic Ligands. Biochemistry, 45, 2006
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5AB4
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4ZVC
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4ZVD
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4ZVH
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2BFY
| Complex of Aurora-B with INCENP and Hesperadin. | Descriptor: | AURORA KINASE B-A, INNER CENTROMERE PROTEIN A, N-[2-OXO-3-((E)-PHENYL{[4-(PIPERIDIN-1-YLMETHYL)PHENYL]IMINO}METHYL)-2,6-DIHYDRO-1H-INDOL-5-YL]ETHANESULFONAMIDE | Authors: | Sessa, F, Mapelli, M, Ciferri, C, Tarricone, C, Areces, L.B, Schneider, T.R, Stukenberg, P.T, Musacchio, A. | Deposit date: | 2004-12-15 | Release date: | 2005-05-03 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Mechanism of Aurora B Activation by Incenp and Inhibition by Hesperadin Mol.Cell, 18, 2005
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2BU8
| crystal structures of human pyruvate dehydrogenase kinase 2 containing physiological and synthetic ligands | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, DICHLORO-ACETIC ACID, MAGNESIUM ION, ... | Authors: | Knoechel, T.R, Tucker, A.D, Robinson, C.M, Phillips, C, Taylor, W, Bungay, P.J, Kasten, S.A, Roche, T.E, Brown, D.G. | Deposit date: | 2005-06-08 | Release date: | 2006-02-02 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Regulatory Roles of the N-Terminal Domain Based on Crystal Structures of Human Pyruvate Dehydrogenase Kinase 2 Containing Physiological and Synthetic Ligands. Biochemistry, 45, 2006
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4ZVE
| Crystal structure of GGDEF domain of the E. coli DosC - form I (apo-form) | Descriptor: | 1,2-ETHANEDIOL, CITRIC ACID, Diguanylate cyclase DosC | Authors: | Tarnawski, M, Barends, T.R.M, Schlichting, I. | Deposit date: | 2015-05-18 | Release date: | 2015-11-11 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Structural analysis of an oxygen-regulated diguanylate cyclase. Acta Crystallogr.,Sect.D, 71, 2015
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2BU4
| RIBONUCLEASE T1 COMPLEX WITH 2'GMP | Descriptor: | CALCIUM ION, GUANOSINE-2'-MONOPHOSPHATE, PROTEIN (RIBONUCLEASE T1) | Authors: | Loris, R, Devos, S, Langhorst, U, Decanniere, K, Bouckaert, J, Maes, D, Transue, T.R, Steyaert, J. | Deposit date: | 1998-09-14 | Release date: | 1998-09-23 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Conserved water molecules in a large family of microbial ribonucleases. Proteins, 36, 1999
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5AB5
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5AF7
| 3-Sulfinopropionyl-coenzyme A (3SP-CoA) desulfinase from Advenella mimigardefordensis DPN7T: crystal structure and function of a desulfinase with an acyl-CoA dehydrogenase fold. Native crystal structure | Descriptor: | ACYL-COA DEHYDROGENASE, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL | Authors: | Cianci, M, Schuermann, M, Meijers, R, Schneider, T.R, Steinbuechel, A. | Deposit date: | 2015-01-20 | Release date: | 2015-06-03 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | 3-Sulfinopropionyl-Coenzyme a (3Sp-Coa) Desulfinase from Advenella Mimigardefordensis Dpn7(T): Crystal Structure and Function of a Desulfinase with an Acyl-Coa Dehydrogenase Fold. Acta Crystallogr.,Sect.D, 71, 2015
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2B9V
| Acetobacter turbidans alpha-amino acid ester hydrolase | Descriptor: | Alpha-amino acid ester hydrolase | Authors: | Barends, T.R.M. | Deposit date: | 2005-10-13 | Release date: | 2005-12-27 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Acetobacter turbidans alpha-amino acid ester hydrolase: how a single mutation improves an antibiotic-producing enzyme. J.Biol.Chem., 281, 2006
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4ZVF
| Crystal structure of GGDEF domain of the E. coli DosC - form II (GTP-alpha-S-bound) | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, Diguanylate cyclase DosC, ... | Authors: | Tarnawski, M, Barends, T.R.M, Schlichting, I. | Deposit date: | 2015-05-18 | Release date: | 2015-11-11 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.15 Å) | Cite: | Structural analysis of an oxygen-regulated diguanylate cyclase. Acta Crystallogr.,Sect.D, 71, 2015
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4ZVG
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2C7N
| Human Rabex-5 residues 1-74 in complex with Ubiquitin | Descriptor: | RAB GUANINE NUCLEOTIDE EXCHANGE FACTOR 1, UBIQUITIN, ZINC ION | Authors: | Penengo, L, Mapelli, M, Murachelli, A.G, Confalioneri, S, Magri, L, Musacchio, A, Di Fiore, P.P, Polo, S, Schneider, T.R. | Deposit date: | 2005-11-25 | Release date: | 2006-02-15 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal Structure of the Ubiquitin Binding Domains of Rabex-5 Reveals Two Modes of Interaction with Ubiquitin. Cell(Cambridge,Mass.), 124, 2006
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2CLE
| Tryptophan Synthase in complex with N-(4'-trifluoromethoxybenzoyl)-2- amino-1-ethylphosphate (F6) - lowF6 complex | Descriptor: | 2-{[4-(TRIFLUOROMETHOXY)BENZOYL]AMINO}ETHYL DIHYDROGEN PHOSPHATE, PYRIDOXAL-5'-PHOSPHATE, SODIUM ION, ... | Authors: | Ngo, H, Harris, R, Kimmich, N, Casino, P, Niks, D, Blumenstein, L, Barends, T.R, Kulik, V, Weyand, M, Schlichting, I, Dunn, M.F. | Deposit date: | 2006-04-27 | Release date: | 2007-06-12 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Synthesis and Characterization of Allosteric Probes of Substrate Channeling in the Tryptophan Synthase Bienzyme Complex. Biochemistry, 46, 2007
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2CLK
| Tryptophan Synthase in complex with D-glyceraldehyde 3-phosphate (G3P) | Descriptor: | GLYCERALDEHYDE-3-PHOSPHATE, PYRIDOXAL-5'-PHOSPHATE, SODIUM ION, ... | Authors: | Ngo, H, Harris, R, Kimmich, N, Casino, P, Niks, D, Blumenstein, L, Barends, T.R, Kulik, V, Weyand, M, Schlichting, I, Dunn, M.F. | Deposit date: | 2006-04-27 | Release date: | 2007-06-12 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Synthesis and Characterization of Allosteric Probes of Substrate Channeling in the Tryptophan Synthase Bienzyme Complex. Biochemistry, 46, 2007
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2BC3
| T7-tagged full-length streptavidin | Descriptor: | GLYCEROL, SULFATE ION, Streptavidin | Authors: | Stenkamp, R.E, Le Trong, I, Ward, T.R, Humbert, N. | Deposit date: | 2005-10-18 | Release date: | 2005-10-25 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | Crystallographic Analysis of a Full-length Streptavidin with Its C-terminal Polypeptide Bound in the Biotin Binding Site. J.Mol.Biol., 356, 2006
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5BTA
| Crystal structure of a topoisomerase II complex | Descriptor: | 1-cyclopropyl-6-fluoro-8-methoxy-7-[(4aS,7aS)-octahydro-6H-pyrrolo[3,4-b]pyridin-6-yl]-4-oxo-1,4-dihydroquinoline-3-carboxylic acid, DNA gyrase subunit A, DNA gyrase subunit B, ... | Authors: | Blower, T.R, Williamson, B.H, Kerns, R.J, Berger, J.M. | Deposit date: | 2015-06-02 | Release date: | 2016-03-02 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Crystal structure and stability of gyrase-fluoroquinolone cleaved complexes from Mycobacterium tuberculosis. Proc.Natl.Acad.Sci.USA, 113, 2016
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2B2A
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5BTN
| Crystal structure of a topoisomerase II complex | Descriptor: | 1-cyclopropyl-6-fluoro-8-methyl-7-[(4aS,7aS)-octahydro-6H-pyrrolo[3,4-b]pyridin-6-yl]-4-oxo-1,4-dihydroquinoline-3-carboxylic acid, DNA gyrase subunit A, DNA gyrase subunit B, ... | Authors: | Blower, T.R, Williamson, B.H, Kerns, R.J, Berger, J.M. | Deposit date: | 2015-06-03 | Release date: | 2016-03-02 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal structure and stability of gyrase-fluoroquinolone cleaved complexes from Mycobacterium tuberculosis. Proc.Natl.Acad.Sci.USA, 113, 2016
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5BRV
| Catalytic Improvement of an Artificial Metalloenzyme by Computational Design | Descriptor: | Carbonic anhydrase 2, ZINC ION, pentamethylcyclopentadienyl iridium [N-benzensulfonamide-(2-pyridylmethyl-4-benzensulfonamide)amin] chloride | Authors: | Heinisch, T, Pellizzoni, M, Duerrenberger, M, Tinberg, C.E, Koehler, V, Klehr, J, Haeussinger, D, Baker, D, Ward, T.R. | Deposit date: | 2015-06-01 | Release date: | 2015-06-24 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Improving the Catalytic Performance of an Artificial Metalloenzyme by Computational Design. J.Am.Chem.Soc., 137, 2015
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2CLF
| Tryptophan Synthase in complex with N-(4'-trifluoromethoxybenzoyl)-2- amino-1-ethylphosphate (F6) - highF6 complex | Descriptor: | 2-{[4-(TRIFLUOROMETHOXY)BENZOYL]AMINO}ETHYL DIHYDROGEN PHOSPHATE, PYRIDOXAL-5'-PHOSPHATE, SODIUM ION, ... | Authors: | Ngo, H, Harris, R, Kimmich, N, Casino, P, Niks, D, Blumenstein, L, Barends, T.R, Kulik, V, Weyand, M, Schlichting, I, Dunn, M.F. | Deposit date: | 2006-04-27 | Release date: | 2007-06-26 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Synthesis and Characterization of Allosteric Probes of Substrate Channeling in the Tryptophan Synthase Bienzyme Complex. Biochemistry, 46, 2007
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