2RAR
 
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5AFM
 | | alpha7-AChBP in complex with lobeline and fragment 4 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4,5-dibromo-N-(3-hydroxypropyl)-1H-pyrrole-2-carboxamide, ACETYLCHOLINE-BINDING PROTEIN, ... | | Authors: | Spurny, R, Debaveye, S, Farinha, A, Veys, K, Gossas, T, Atack, J, Bertrand, D, Kemp, J, Vos, A, Danielson, U.H, Tresadern, G, Ulens, C. | | Deposit date: | 2015-01-22 | | Release date: | 2015-05-06 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | Molecular Blueprint of Allosteric Binding Sites in a Homologue of the Agonist-Binding Domain of the Alpha7 Nicotinic Acetylcholine Receptor.
Proc.Natl.Acad.Sci.USA, 112, 2015
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3HLV
 | | Crystal structure of human Estrogen Receptor Alpha Ligand-Binding Domain in complex with a Glucocorticoid Receptor Interacting Protein 1 Nr Box II Peptide and 16-alpha-hydroxy-estrone ((8S,9R,13S,14R,16R)-3,16-dihydroxy-13-methyl-7,8,9,11,12,14,15, 16-octahydro-6H-cyclopenta[a]phenanthren-17-one | | Descriptor: | (9beta,13alpha,16beta)-3,16-dihydroxyestra-1,3,5(10)-trien-17-one, Estrogen receptor, Nuclear receptor coactivator 2 | | Authors: | Rajan, S.S, Kim, Y, Vanek, K, Joachimiak, A, Greene, G.L. | | Deposit date: | 2009-05-28 | | Release date: | 2010-06-02 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Crystal structure of human alphaER-LBD in complex with GRIP peptide and 16alpha-hydroxyestrone
To be Published
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6SD7
 | | Human Carbonic Anhydrase II in complex with fluorinated benzenesulfonamide and its dimer | | Descriptor: | (4-CARBOXYPHENYL)(CHLORO)MERCURY, 2,3,4,5,6-pentafluoro-N-(2,3,5,6-tetrafluoro-4-sulfamoylphenyl)benzenesulfonamide, 2,3,4,5,6-pentafluorobenzenesulfonamide, ... | | Authors: | Gloeckner, S, Heine, A, Klebe, G. | | Deposit date: | 2019-07-26 | | Release date: | 2020-04-15 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.05 Å) | | Cite: | The Influence of Varying Fluorination Patterns on the Thermodynamics and Kinetics of Benzenesulfonamide Binding to Human Carbonic Anhydrase II.
Biomolecules, 10, 2020
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5GZ8
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5AFJ
 | | alpha7-AChBP in complex with lobeline and fragment 1 | | Descriptor: | (3S)-6-(4-bromophenyl)-3-hydroxy-1,3-dimethyl-2,3-dihydropyridin-4(1H)-one, 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYLCHOLINE-BINDING PROTEIN, ... | | Authors: | Spurny, R, Debaveye, S, Farinha, A, Veys, K, Gossas, T, Atack, J, Bertrand, D, Kemp, J, Vos, A, Danielson, U.H, Tresadern, G, Ulens, C. | | Deposit date: | 2015-01-22 | | Release date: | 2015-05-06 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Molecular Blueprint of Allosteric Binding Sites in a Homologue of the Agonist-Binding Domain of the Alpha7 Nicotinic Acetylcholine Receptor.
Proc.Natl.Acad.Sci.USA, 112, 2015
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1FJ3
 | | THERMOLYSIN (50% ACETONE SOAKED) | | Descriptor: | ACETONE, CALCIUM ION, DIMETHYL SULFOXIDE, ... | | Authors: | English, A.C, Groom, C.R, Hubbard, R.E. | | Deposit date: | 2000-08-07 | | Release date: | 2001-04-18 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Experimental and computational mapping of the binding surface of a crystalline protein.
Protein Eng., 14, 2001
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4OHO
 | | Human GKRP bound to AMG-2668 | | Descriptor: | 5-{[(3S)-3-(prop-1-yn-1-yl)-4-{4-[S-(trifluoromethyl)sulfonimidoyl]phenyl}piperazin-1-yl]sulfonyl}pyridin-2-amine, D-SORBITOL-6-PHOSPHATE, GLYCEROL, ... | | Authors: | Jordan, S.R, Chmait, S. | | Deposit date: | 2014-01-17 | | Release date: | 2014-07-30 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.58 Å) | | Cite: | Small molecule disruptors of the glucokinase-glucokinase regulatory protein interaction: 3. Structure-activity relationships within the aryl carbinol region of the N-arylsulfonamido-N'-arylpiperazine series.
J.Med.Chem., 57, 2014
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5DAF
 | | Crystal Structure of Human KEAP1 BTB Domain in Complex with Small Molecule TX64063 | | Descriptor: | (5aS,6S,9aS)-7-hydroxy-2,6,9a-trimethyl-3-(pyridin-3-yl)-4,5,5a,6,9,9a-hexahydro-2H-benzo[g]indazole-8-carbonitrile, Kelch-like ECH-associated protein 1 | | Authors: | Huerta, C, Jiang, X, Trevino, I, Bender, C.F, Swinger, K.K, Stoll, V.S, Ferguson, D.A, Thomas, P.J, Probst, B, Dulubova, I, Visnick, M, Wigley, W.C. | | Deposit date: | 2015-08-19 | | Release date: | 2016-08-10 | | Last modified: | 2017-11-22 | | Method: | X-RAY DIFFRACTION (2.37 Å) | | Cite: | Characterization of novel small-molecule NRF2 activators: Structural and biochemical validation of stereospecific KEAP1 binding.
Biochim.Biophys.Acta, 1860, 2016
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2CBT
 | | Crystal structure of the neocarzinostatin 4Tes1 mutant bound testosterone hemisuccinate. | | Descriptor: | NEOCARZINOSTATIN, TESTOSTERONE HEMISUCCINATE | | Authors: | Drevelle, A, Graille, M, Heyd, B, Sorel, I, Ulryck, N, Pecorari, F, Desmadril, M, Van Tilbeurgh, H, Minard, P. | | Deposit date: | 2006-01-06 | | Release date: | 2006-03-22 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structures of in Vitro Evolved Binding Sites on Neocarzinostatin Scaffold Reveal Unanticipated Evolutionary Pathways.
J.Mol.Biol., 358, 2006
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8JWJ
 | | PHD Finger Protein 7 (PHF7) in complex with UBE2D2 | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, GLYCEROL, PHD finger protein 7, ... | | Authors: | Lee, H.S, Bang, I, Choi, H.-J. | | Deposit date: | 2023-06-29 | | Release date: | 2023-12-20 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.96 Å) | | Cite: | Molecular basis for PHF7-mediated ubiquitination of histone H3.
Genes Dev., 37, 2023
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8JWU
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5FXK
 | | GluN1b-GluN2B NMDA receptor structure-Class Y | | Descriptor: | N-METHYL-D-ASPARTATE RECEPTOR GLUN1, N-METHYL-D-ASPARTATE RECEPTOR GLUN2B | | Authors: | Tajima, N, Karakas, E, Grant, T, Simorowski, N, Diaz-Avalos, R, Grigorieff, N, Furukawa, H. | | Deposit date: | 2016-03-02 | | Release date: | 2016-05-11 | | Last modified: | 2024-05-08 | | Method: | ELECTRON MICROSCOPY (6.4 Å) | | Cite: | Activation of Nmda Receptors and the Mechanism of Inhibition by Ifenprodil.
Nature, 534, 2016
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1WTG
 | | Human Factor Viia-Tissue Factor Complexed with ethylsulfonamide-D-biphenylalanine-Gln-p-aminobenzamidine | | Descriptor: | 2-(3-BIPHENYL-4-YL-2-ETHANESULFONYLAMINO-PROPIONYLAMINO)-PENTANEDIOIC ACID 5-AMIDE 1-(4-CARBAMIMIDOYL-BENZYLAMIDE), CALCIUM ION, Coagulation factor VII, ... | | Authors: | Kadono, S, Sakamoto, S, Kikuchi, Y, Oh-Eda, M, Yabuta, N, Kitazawa, K, Yoshihashi, T, Suzuki, T, Koga, T, Hattori, K, Shiraishi, T, Kodama, M, Haramura, H, Ono, Y, Esaki, T, Sato, H, Watanabe, Y, Itoh, S, Ohta, M, Kozono, T. | | Deposit date: | 2004-11-23 | | Release date: | 2005-11-23 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Novel interactions of large P3 moiety and small P4 moiety in the binding of the peptide mimetic factor VIIa inhibitor
Biochem.Biophys.Res.Commun., 326, 2005
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5KK2
 | | Architecture of fully occupied GluA2 AMPA receptor - TARP complex elucidated by single particle cryo-electron microscopy | | Descriptor: | Glutamate receptor 2, Voltage-dependent calcium channel gamma-2 subunit | | Authors: | Zhao, Y, Chen, S, Yoshioka, C, Baconguis, I, Gouaux, E. | | Deposit date: | 2016-06-20 | | Release date: | 2016-07-06 | | Last modified: | 2018-07-18 | | Method: | ELECTRON MICROSCOPY (7.3 Å) | | Cite: | Architecture of fully occupied GluA2 AMPA receptor-TARP complex elucidated by cryo-EM.
Nature, 536, 2016
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1FJU
 | | THERMOLYSIN (80% ACETONITRILE SOAKED CRYSTALS) | | Descriptor: | ACETONITRILE, CALCIUM ION, DIMETHYL SULFOXIDE, ... | | Authors: | English, A.C, Groom, C.R, Hubbard, R.E. | | Deposit date: | 2000-08-08 | | Release date: | 2001-04-18 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Experimental and computational mapping of the binding surface of a crystalline protein.
Protein Eng., 14, 2001
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4TRA
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6UOM
 | | Y271G DNA polymerase beta ternary complex with templating adenine and incoming r8-oxo-GTP | | Descriptor: | 1,2-ETHANEDIOL, 2',3'-DIDEOXYCYTIDINE-5'-MONOPHOSPHATE, 8-OXO-GUANOSINE-5'-TRIPHOSPHATE, ... | | Authors: | Smith, M.R, Freudenthal, B.D. | | Deposit date: | 2019-10-15 | | Release date: | 2020-01-08 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Molecular and structural characterization of oxidized ribonucleotide insertion into DNA by human DNA polymerase beta.
J.Biol.Chem., 295, 2020
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1L7G
 | | Crystal structure of E119G mutant influenza virus neuraminidase in complex with BCX-1812 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 3-(1-ACETYLAMINO-2-ETHYL-BUTYL)-4-GUANIDINO-2-HYDROXY-CYCLOPENTANECARBOXYLIC ACID, ... | | Authors: | Smith, B.J, McKimm-Breshkin, J.L, McDonald, M, Fernley, R.T, Varghese, J.N, Colman, P.M. | | Deposit date: | 2002-03-15 | | Release date: | 2002-05-29 | | Last modified: | 2021-10-27 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Structural studies of the resistance of influenza virus neuramindase to inhibitors.
J.Med.Chem., 45, 2002
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3T4O
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3T4T
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5JFD
 | | Thrombin in complex with (S)-N-(2-(aminomethyl)-5-chlorobenzyl)-1-((benzylsulfonyl)-D-arginyl)pyrrolidine-2-carboxamide | | Descriptor: | (2S)-N-[[2-(aminomethyl)-5-chloro-phenyl]methyl]-1-[(2R)-5-carbamimidamido-2-(phenylmethylsulfonylamino)pentanoyl]pyrrolidine-2-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ... | | Authors: | Sandner, A, Heine, A, Klebe, G. | | Deposit date: | 2016-04-19 | | Release date: | 2017-05-24 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.46 Å) | | Cite: | Strategies for Late-Stage Optimization: Profiling Thermodynamics by Preorganization and Salt Bridge Shielding.
J.Med.Chem., 62, 2019
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1W7M
 | | Crystal structure of human kynurenine aminotransferase I in complex with L-Phe | | Descriptor: | KYNURENINE--OXOGLUTARATE TRANSAMINASE I, PHENYLALANINE, PYRIDOXAL-5'-PHOSPHATE | | Authors: | Rossi, F, Han, Q, Li, J, Li, J, Rizzi, M. | | Deposit date: | 2004-09-06 | | Release date: | 2004-09-08 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Crystal Structure of Human Kynurenine Aminotransferase I
J.Biol.Chem., 279, 2004
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2BG9
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5U05
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