3PBZ
 
 | | Endothiapepsin in complex with a fragment | | Descriptor: | 4-(diethylamino)benzohydrazide, DIMETHYL SULFOXIDE, Endothiapepsin, ... | | Authors: | Koester, H, Heine, A, Klebe, G. | | Deposit date: | 2010-10-21 | | Release date: | 2011-10-19 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.48 Å) | | Cite: | A small nonrule of 3 compatible fragment library provides high hit rate of endothiapepsin crystal structures with various fragment chemotypes.
J.Med.Chem., 54, 2011
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3PCW
 | | Endothiapepsin in complex with a fragment | | Descriptor: | 4-(trifluoromethyl)benzenecarboximidamide, DIMETHYL SULFOXIDE, Endothiapepsin, ... | | Authors: | Koester, H, Heine, A, Klebe, G. | | Deposit date: | 2010-10-22 | | Release date: | 2011-10-19 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | A small nonrule of 3 compatible fragment library provides high hit rate of endothiapepsin crystal structures with various fragment chemotypes.
J.Med.Chem., 54, 2011
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1RNW
 | | RECOMBINANT RIBONUCLEASE A CRYSTALLIZED FROM 80% AMMONIUM SULPHATE | | Descriptor: | RIBONUCLEASE A, SULFATE ION | | Authors: | Fedorov, A.A, Joseph-Mccarthy, D, Fedorov, E.V, Sirakova, D, Graf, I, Almo, S.C. | | Deposit date: | 1996-11-08 | | Release date: | 1997-04-01 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Ionic interactions in crystalline bovine pancreatic ribonuclease A.
Biochemistry, 35, 1996
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1I4H
 | | Crystal structure of Zn2+ soaked Staphylococcal enterotoxin A mutant H187A | | Descriptor: | ENTEROTOXIN TYPE A, ZINC ION | | Authors: | Hakansson, M, Antonsson, P, Bjork, P, Svensson, L.A. | | Deposit date: | 2001-02-21 | | Release date: | 2001-02-28 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Cooperative zinc binding in a staphylococcal enterotoxin A mutant mimics the SEA-MHC class II interaction
J.Biol.Inorg.Chem., 6, 2001
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1I4G
 | | Crystal structure of Staphylococcal enterotoxin A mutant H187A with reduced Zn2+ affinity | | Descriptor: | ENTEROTOXIN TYPE A, SULFATE ION, ZINC ION | | Authors: | Hakansson, M, Antonsson, P, Bjork, P, Svensson, L.A. | | Deposit date: | 2001-02-21 | | Release date: | 2001-02-28 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Cooperative zinc binding in a staphylococcal enterotoxin A mutant mimics the SEA-MHC class II interaction
J.Biol.Inorg.Chem., 6, 2001
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3N4N
 | | Insights into the stabilizing contributions of a bicyclic cytosine analogue: crystal structures of DNA duplexes containing 7,8-dihydropyrido[2,3-d]pyrimidin-2-one | | Descriptor: | 5'-D(*CP*GP*CP*GP*AP*A)-3', 5'-D(P*TP*TP*(B7C)P*GP*CP*G)-3' | | Authors: | Takenaka, A, Juan, E.C.M, Shimizu, S. | | Deposit date: | 2010-05-22 | | Release date: | 2010-08-11 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.92 Å) | | Cite: | Insights into the DNA stabilizing contributions of a bicyclic cytosine analogue: crystal structures of DNA duplexes containing 7,8-dihydropyrido [2,3-d]pyrimidin-2-one.
Nucleic Acids Res., 2010
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1D9K
 | | CRYSTAL STRUCTURE OF COMPLEX BETWEEN D10 TCR AND PMHC I-AK/CA | | Descriptor: | 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, CONALBUMIN PEPTIDE, ... | | Authors: | Reinherz, E.L, Tan, K, Tang, L, Kern, P, Liu, J.-H, Xiong, Y, Hussey, R.E, Smolyar, A, Hare, B, Zhang, R, Joachimiak, A, Chang, H.-C, Wagner, G, Wang, J.-H. | | Deposit date: | 1999-10-28 | | Release date: | 1999-12-15 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | The crystal structure of a T cell receptor in complex with peptide and MHC class II.
Science, 286, 1999
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3BXQ
 | | The structure of a mutant insulin uncouples receptor binding from protein allostery. An electrostatic block to the TR transition | | Descriptor: | ZINC ION, insulin A chain, insulin B chain | | Authors: | Wan, Z.L, Huang, K, Hu, S.Q, Whittaker, J, Weiss, M.A. | | Deposit date: | 2008-01-14 | | Release date: | 2008-05-20 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | The structure of a mutant insulin uncouples receptor binding from protein allostery. An electrostatic block to the TR transition.
J.Biol.Chem., 283, 2008
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1RNY
 | | RIBONUCLEASE A CRYSTALLIZED FROM 3M CESIUM CHLORIDE, 30% AMMONIUM SULFATE | | Descriptor: | CESIUM ION, CHLORIDE ION, RIBONUCLEASE A | | Authors: | Fedorov, A.A, Joseph-Mccarthy, D, Fedorov, L, Sirakova, D, Graf, I, Almo, S.C. | | Deposit date: | 1996-04-23 | | Release date: | 1996-11-08 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Ionic interactions in crystalline bovine pancreatic ribonuclease A.
Biochemistry, 35, 1996
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1JQG
 | | Crystal Structure of the Carboxypeptidase A from Helicoverpa Armigera | | Descriptor: | ZINC ION, carboxypeptidase A | | Authors: | Estebanez-Perpina, E, Bayes, A, Vendrell, J, Jongsma, M.A, Bown, D.P, Gatehouse, J.A, Huber, R, Bode, W, Aviles, F.X, Reverter, D. | | Deposit date: | 2001-08-07 | | Release date: | 2002-08-07 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal structure of a novel mid-gut procarboxypeptidase from the cotton pest Helicoverpa armigera.
J.Mol.Biol., 313, 2001
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3B8S
 | | Crystal structure of wild-type chitinase A from Vibrio harveyi | | Descriptor: | Chitinase A | | Authors: | Songsiriritthigul, C, Pantoom, S, Aguda, A.H, Robinson, R.C, Suginta, W. | | Deposit date: | 2007-11-01 | | Release date: | 2008-04-01 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structures of Vibrio harveyi chitinase A complexed with chitooligosaccharides: implications for the catalytic mechanism
J.Struct.Biol., 162, 2008
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4F2P
 | | Crystal structure of 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase from Salmonella enterica with diEtglycol-thio-DADMe-Immucillin-A | | Descriptor: | (3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-({[2-(2-hydroxyethoxy)ethyl]sulfanyl}methyl)pyrrolidin-3- ol, 1,2-ETHANEDIOL, 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase, ... | | Authors: | Haapalainen, A.M, Thomas, K, Bonanno, J.B, Almo, S.C, Schramm, V.L. | | Deposit date: | 2012-05-08 | | Release date: | 2013-05-01 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.64 Å) | | Cite: | Crystal structure of 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase from Salmonella enterica with diEtglycol-thio-DADMe-Immucillin-A
Structure, 21, 2013
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4NV7
 | | Crystal Structure of Mesorhizobium Loti Arylamine N-acetyltransferase 1 In Complex With CoA | | Descriptor: | Arylamine N-acetyltransferase, COENZYME A | | Authors: | Xu, X.M, Haouz, A, Weber, P, Li de la sierra-gallay, I, Kubiak, X, Dupret, J.-M, Rodrigues-lima, F. | | Deposit date: | 2013-12-05 | | Release date: | 2015-01-21 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.02 Å) | | Cite: | Insight into cofactor recognition in arylamine N-acetyltransferase enzymes: structure of Mesorhizobium loti arylamine N-acetyltransferase in complex with coenzyme A.
Acta Crystallogr.,Sect.D, 71, 2015
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3PGI
 | | Endothiapepsin in complex with a fragment | | Descriptor: | Endothiapepsin, GLYCEROL, N-(1,3-benzodioxol-5-yl)-2-(piperidin-1-yl)acetamide | | Authors: | Koester, H, Heine, A, Klebe, G. | | Deposit date: | 2010-11-02 | | Release date: | 2011-10-26 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | A small nonrule of 3 compatible fragment library provides high hit rate of endothiapepsin crystal structures with various fragment chemotypes.
J.Med.Chem., 54, 2011
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1LLI
 | | THE CRYSTAL STRUCTURE OF A MUTANT PROTEIN WITH ALTERED BUT IMPROVED HYDROPHOBIC CORE PACKING | | Descriptor: | DNA (5'-D(*AP*AP*TP*AP*CP*CP*AP*CP*TP*GP*GP*CP*GP*GP*TP*GP*A P*TP*AP*T)-3'), DNA (5'-D(*TP*AP*TP*AP*TP*CP*AP*CP*CP*GP*CP*CP*AP*GP*TP*GP*G P*TP*AP*T)-3'), PROTEIN (LAMBDA REPRESSOR) | | Authors: | Lim, W.A, Hodel, A, Sauer, R.T, Richards, F.M. | | Deposit date: | 1994-03-25 | | Release date: | 1994-08-31 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | The crystal structure of a mutant protein with altered but improved hydrophobic core packing.
Proc.Natl.Acad.Sci.USA, 91, 1994
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3PI0
 | | Endothiapepsin in complex with a fragment | | Descriptor: | DIMETHYL SULFOXIDE, Endothiapepsin, GLYCEROL, ... | | Authors: | Koester, H, Heine, A, Klebe, G. | | Deposit date: | 2010-11-05 | | Release date: | 2011-11-02 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.64 Å) | | Cite: | A small nonrule of 3 compatible fragment library provides high hit rate of endothiapepsin crystal structures with various fragment chemotypes.
J.Med.Chem., 54, 2011
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3B9A
 | | Crystal structure of Vibrio harveyi chitinase A complexed with hexasaccharide | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Chitinase A | | Authors: | Songsiriritthigul, C, Pantoom, S, Aguda, A.H, Robinson, R.C, Suginta, W. | | Deposit date: | 2007-11-03 | | Release date: | 2008-04-01 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal structures of Vibrio harveyi chitinase A complexed with chitooligosaccharides: implications for the catalytic mechanism
J.Struct.Biol., 162, 2008
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1RNO
 | | RIBONUCLEASE A CRYSTALLIZED FROM 80% AMMONIUM SULPHATE | | Descriptor: | RIBONUCLEASE A, SULFATE ION | | Authors: | Fedorov, A.A, Josef-Mccarthy, D, Graf, I, Anguelova, D, Fedorov, E.V, Almo, S.C. | | Deposit date: | 1995-11-08 | | Release date: | 1996-04-03 | | Last modified: | 2019-08-14 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Ionic interactions in crystalline bovine pancreatic ribonuclease A.
Biochemistry, 35, 1996
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3BS1
 | | Structure of the Staphylococcus aureus AgrA LytTR Domain Bound to DNA Reveals a Beta Fold with a Novel Mode of Binding | | Descriptor: | Accessory gene regulator protein A, DNA (5'-D(*DAP*DAP*(BRU)P*DAP*DCP*DTP*DTP*DAP*DAP*DCP*DTP*DGP*DTP*DTP*DAP*DA)-3'), DNA (5'-D(*DTP*DTP*DTP*DAP*DAP*DCP*DAP*DGP*DTP*DTP*DAP*DAP*DGP*(BRU)P*DAP*DT)-3'), ... | | Authors: | Sidote, D.J, Barbieri, C, Wu, T, Stock, A.M. | | Deposit date: | 2007-12-21 | | Release date: | 2008-04-08 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structure of the Staphylococcus aureus AgrA LytTR Domain Bound to DNA Reveals a Beta Fold with an Unusual Mode of Binding.
Structure, 16, 2008
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3EJ5
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4C66
 | | Discovery of Epigenetic Regulator I-BET762: Lead Optimization to Afford a Clinical Candidate Inhibitor of the BET Bromodomains | | Descriptor: | 4-(2-chlorophenyl)-2-ethyl-9-methyl-6,8-dihydrothieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-10-ium, BROMODOMAIN-CONTAINING PROTEIN 4 | | Authors: | Chung, C, Mirguet, O. | | Deposit date: | 2013-09-17 | | Release date: | 2013-10-02 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.87 Å) | | Cite: | Discovery of Epigenetic Regulator I-Bet762: Lead Optimization to Afford a Clinical Candidate Inhibitor of the Bet Bromodomains.
J.Med.Chem., 56, 2013
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197D
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3UBM
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1LIQ
 | | Non-native Solution Structure of a fragment of the CH1 domain of CBP | | Descriptor: | CREB Binding Protein, ZINC ION | | Authors: | Sharpe, B.K, Matthews, J.M, Kwan, A.H.Y, Newton, A, Gell, D.A, Crossley, M, Mackay, J.P. | | Deposit date: | 2002-04-18 | | Release date: | 2002-05-29 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | A New Zinc Binding Fold Underlines the Versatility of Zinc Binding Modules in Protein Evolution
Structure, 10, 2002
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5WA1
 | | CHMP4C A232T in complex with ALIX BRO1 | | Descriptor: | Charged multivesicular body protein 4c, Programmed cell death 6-interacting protein | | Authors: | Wenzel, D.M, Alam, S.L, Sundquist, W.I. | | Deposit date: | 2017-06-24 | | Release date: | 2018-09-19 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.868 Å) | | Cite: | A cancer-associated polymorphism in ESCRT-III disrupts the abscission checkpoint and promotes genome instability.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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