2GUE
 
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2PYE
 | | Crystal Structures of High Affinity Human T-Cell Receptors Bound to pMHC RevealNative Diagonal Binding Geometry TCR Clone C5C1 Complexed with MHC | | Descriptor: | 2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL, Beta-2-microglobulin, Cancer/testis antigen 1B, ... | | Authors: | Sami, M, Rizkallah, P.J, Dunn, S, Li, Y, Moysey, R, Vuidepot, A, Baston, E, Todorov, P, Molloy, P, Gao, F, Boulter, J.M, Jakobsen, B.K. | | Deposit date: | 2007-05-16 | | Release date: | 2007-09-25 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal structures of high affinity human T-cell receptors bound to peptide major
histocompatibility complex reveal native diagonal binding geometry
Protein Eng.Des.Sel., 20, 2007
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3PFP
 | | Structure of 3-deoxy-D-arabino-heptulosonate 7-phosphate synthase from Mycobacterium tuberculosis in complex with an active site inhibitor | | Descriptor: | (2R)-2,7-bis(phosphonooxy)heptanoic acid, (2S)-2,7-bis(phosphonooxy)heptanoic acid, CHLORIDE ION, ... | | Authors: | Reichau, S, Jiao, W, Walker, S.R, Hutton, R.D, Parker, E.J, Baker, E.N. | | Deposit date: | 2010-10-28 | | Release date: | 2011-03-16 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Potent inhibitors of a shikimate pathway enzyme from Mycobacterium tuberculosis: combining mechanism- and modeling-based design
J.Biol.Chem., 286, 2011
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2XZ5
 | | MMTS-modified Y53C mutant of Aplysia AChBP in complex with acetylcholine | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYLCHOLINE, ... | | Authors: | Brams, M, Gay, E.A, Colon Saez, J, Guskov, A, van Elk, R, van der Schors, R.C, Peigneur, S, Tytgat, J, Strelkov, S.V, Smit, A.B, Yakel, J.L, Ulens, C. | | Deposit date: | 2010-11-23 | | Release date: | 2010-12-08 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Crystal Structures of a Cysteine-Modified Mutant in Loop D of Acetylcholine Binding Protein
J.Biol.Chem., 286, 2011
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2GXA
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2NQ9
 | | High resolution crystal structure of Escherichia coli endonuclease IV (Endo IV) Y72A mutant bound to damaged DNA | | Descriptor: | 5'-D(*AP*TP*AP*TP*CP*T)-3', 5'-D(*AP*TP*CP*TP*GP*AP*AP*GP*TP*AP*T)-3', 5'-D(P*(3DR)P*AP*GP*AP*T)-3', ... | | Authors: | Garcin-Hosfield, E.D, Hosfield, D.J, Tainer, J.A. | | Deposit date: | 2006-10-30 | | Release date: | 2007-11-13 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | DNA apurinic-apyrimidinic site binding and excision by endonuclease IV.
Nat.Struct.Mol.Biol., 15, 2008
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2XN9
 | | Crystal structure of the ternary complex between human T cell receptor, staphylococcal enterotoxin H and human major histocompatibility complex class II | | Descriptor: | ENTEROTOXIN H, GLYCEROL, HEMAGGLUTININ, ... | | Authors: | Saline, M, Rodstrom, K.E.J, Fischer, G, Orekhov, V.Y, Karlsson, B.G, Lindkvist-Petersson, K. | | Deposit date: | 2010-07-31 | | Release date: | 2010-11-24 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | The Structure of Superantigen Complexed with Tcr and Mhc Reveals Novel Insights Into Superantigenic T Cell Activation.
Nat.Commun., 1, 2010
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2XRI
 | | Crystal structure of human ERI1 exoribonuclease 3 | | Descriptor: | ERI1 EXORIBONUCLEASE 3, GLYCEROL, MAGNESIUM ION | | Authors: | Welin, M, Siponen, M.I, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, I, Karlberg, T, Kol, S, Kotenyova, T, Kouznetsova, E, Moche, M, Nyman, T, Persson, C, Schuler, H, Schutz, P, Thorsell, A.G, Tresaugues, L, Van Der Berg, S, Wahlberg, E, Weigelt, J, Nordlund, P. | | Deposit date: | 2010-09-15 | | Release date: | 2010-09-29 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Crystal Structure of Human Eri1 Exoribonuclease 3
To be Published
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4B8C
 | | nuclease module of the yeast Ccr4-Not complex | | Descriptor: | GENERAL NEGATIVE REGULATOR OF TRANSCRIPTION SUBUNIT 1, GLUCOSE-REPRESSIBLE ALCOHOL DEHYDROGENASE TRANSCRIPTIONAL EFFECTOR, POLY(A) RIBONUCLEASE POP2 | | Authors: | Basquin, J, Conti, E. | | Deposit date: | 2012-08-26 | | Release date: | 2012-11-21 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (3.41 Å) | | Cite: | Architecture of the Nuclease Module of the Yeast Ccr4-not Complex: The not1-Caf1-Ccr4 Interaction.
Mol.Cell, 48, 2012
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1H5U
 | | THE 1.76 A RESOLUTION CRYSTAL STRUCTURE OF GLYCOGEN PHOSPHORYLASE B COMPLEXED WITH GLUCOSE AND CP320626, A POTENTIAL ANTIDIABETIC DRUG | | Descriptor: | 5-CHLORO-1H-INDOLE-2-CARBOXYLIC ACID [1-(4-FLUOROBENZYL)-2-(4-HYDROXYPIPERIDIN-1YL)-2-OXOETHYL]AMIDE, GLYCOGEN PHOSPHORYLASE, PYRIDOXAL-5'-PHOSPHATE, ... | | Authors: | Oikonomakos, N.G, Zographos, S.E, Skamnaki, V.T, Archontis, G. | | Deposit date: | 2001-05-25 | | Release date: | 2001-06-28 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | The 1.76 A Resolution Crystal Structure of Glycogen Phosphorylase B Complexed with Glucose, and Cp320626, a Potential Antidiabetic Drug
Bioorg.Med.Chem., 10, 2002
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4N9U
 | | The role of lysine 200 in the human farnesyl pyrophosphate synthase catalytic mechanism and the mode of inhibition by the nitrogen-containing bisphosphonates | | Descriptor: | 1,2-ETHANEDIOL, 1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-PHOSPHONIC ACID, Farnesyl pyrophosphate synthase, ... | | Authors: | Tsoumpra, M.K, Muniz, J.R.C, Barnett, B.L, Pilka, E, Kwaasi, A.A, Kavanagh, K.L, Evdokimov, A, Walter, R.L, Ebetino, F.H, Oppermann, U, Russell, R.G.G, Dunford, J.E. | | Deposit date: | 2013-10-21 | | Release date: | 2014-10-22 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.11 Å) | | Cite: | The role of lysine 200 in the human farnesyl pyrophosphate synthase catalytic mechanism and the mode of inhibition by the nitrogen-containing bisphosphonates
TO BE PUBLISHED
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2XDL
 | | Structure of HSP90 with small molecule inhibitor bound | | Descriptor: | 2-METHYL-4-DIETHYLAMIDE-PHENOL, HEAT SHOCK PROTEIN HSP 90-ALPHA | | Authors: | Murray, C.W, Carr, M.G, Callaghan, O, Chessari, G, Congreve, M, Cowan, S, Coyle, J.E, Downham, R, Figueroa, E, Frederickson, M, Graham, B, McMenamin, R, OBrien, M.A, Patel, S, Phillips, T.R, Williams, G, Woodhead, A.J, Woolford, A.J.A. | | Deposit date: | 2010-05-04 | | Release date: | 2010-09-01 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Fragment-Based Drug Discovery Applied to Hsp90. Discovery of Two Lead Series with High Ligand Efficiency.
J.Med.Chem., 53, 2010
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2XDS
 | | Structure of HSP90 with small molecule inhibitor bound | | Descriptor: | 1-CHLORO-4-METHYLPHTHALAZINE, DIMETHYL SULFOXIDE, HEAT SHOCK PROTEIN HSP 90-ALPHA | | Authors: | Murray, C.W, Carr, M.G, Callaghan, O, Chessari, G, Congreve, M, Cowan, S, Coyle, J.E, Downham, R, Figueroa, E, Frederickson, M, Graham, B, McMenamin, R, OBrien, M.A, Patel, S, Phillips, T.R, Williams, G, Woodhead, A.J, Woolford, A.J.A. | | Deposit date: | 2010-05-07 | | Release date: | 2010-09-01 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | Fragment-Based Drug Discovery Applied to Hsp90. Discovery of Two Lead Series with High Ligand Efficiency.
J.Med.Chem., 53, 2010
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3BK0
 | | Crystal Structure of Human Orotidine 5'-monophosphate Decarboxylase Complexed with 5-CN-UMP | | Descriptor: | 5-CYANO-URIDINE-5'-MONOPHOSPHATE, GLYCEROL, SULFATE ION, ... | | Authors: | Liu, Y, Tang, H.L, Avina, M.E.M, Kotra, L.P, Pai, E.F. | | Deposit date: | 2007-12-05 | | Release date: | 2008-11-18 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Crystal Structure of Human Orotidine 5'-monophosphate Decarboxylase Complexed with 5-CN-UMP
To be Published
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4B0R
 | | Structure of the Deamidase-Depupylase Dop of the Prokaryotic Ubiquitin-like Modification Pathway | | Descriptor: | DEAMIDASE-DEPUPYLASE DOP | | Authors: | Ozcelik, D, Barandun, J, Schmitz, N, Sutter, M, Guth, E, Damberger, F.F, Allain, F.H.-T, Ban, N, Weber-Ban, E. | | Deposit date: | 2012-07-04 | | Release date: | 2012-09-12 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structures of Pup ligase PafA and depupylase Dop from the prokaryotic ubiquitin-like modification pathway.
Nat Commun, 3, 2012
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2XNA
 | | Crystal structure of the complex between human T cell receptor and staphylococcal enterotoxin | | Descriptor: | ENTEROTOXIN H, GLYCEROL, SODIUM ION, ... | | Authors: | Saline, M, Rodstrom, K.E.J, Fischer, G, Orekhov, V.Y, Karlsson, B.G, Lindkvist-Petersson, K. | | Deposit date: | 2010-07-31 | | Release date: | 2010-11-24 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | The Structure of Superantigen Complexed with Tcr and Mhc Reveals Novel Insights Into Superantigenic T Cell Activation.
Nat.Commun., 1, 2010
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4NYY
 | | Structure of Vibrio cholerae chitin de-N-acetylase in complex with acetate ion (ACT) in P 2 21 21 | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, Deacetylase DA1, ... | | Authors: | Albesa-Jove, D, Andres, E, Biarnes, X, Planas, A, Guerin, M.E. | | Deposit date: | 2013-12-11 | | Release date: | 2014-08-13 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Structural basis of chitin oligosaccharide deacetylation.
Angew.Chem.Int.Ed.Engl., 53, 2014
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2XJG
 | | Structure of HSP90 with small molecule inhibitor bound | | Descriptor: | 1,3-DIHYDROISOINDOL-2-YL-(2-HYDROXY-4-METHOXY-5-PROPAN-2-YL-PHENYL)METHANONE, HEAT SHOCK PROTEIN HSP 90-ALPHA | | Authors: | Murray, C.W, Carr, M.G, Callaghan, O, Chessari, G, Congreve, M, Cowan, S, Coyle, J.E, Downham, R, Figueroa, E, Frederickson, M, Graham, B, McMenamin, R, OBrien, M.A, Patel, S, Phillips, T.R, Williams, B, Woodhead, A.J, Woolford, A.J.A. | | Deposit date: | 2010-07-06 | | Release date: | 2010-08-11 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Discovery of (2,4-Dihydroxy-5-Isopropylphenyl)-[5-(4-Methylpiperazin-1-Ylmethyl)-1,3-Dihydroisoindol-2-Yl]Methanone (at13387), a Novel Inhibitor of the Molecular Chaperone Hsp90 by Fragment Based Drug Design.
J.Med.Chem., 53, 2010
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3FLU
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1GUE
 | | SENSORY RHODOPSIN II | | Descriptor: | CHLORIDE ION, RETINAL, SENSORY RHODOPSIN II | | Authors: | Edman, K, Royant, A, Nollert, P, Maxwell, C.A, Pebay-Peyroula, E, Navarro, J, Neutze, R, Landau, E.M. | | Deposit date: | 2002-01-24 | | Release date: | 2002-04-12 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.27 Å) | | Cite: | Early Structural Rearrangements in the Photocycle of an Integral Membrane Sensory Receptor
Structure, 10, 2002
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2NO0
 | | C4S dCK variant of dCK in complex with gemcitabine+ADP | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Deoxycytidine kinase, GEMCITABINE | | Authors: | Sabini, E, Hazra, S, Konrad, M, Burley, S.K, Lavie, A. | | Deposit date: | 2006-10-24 | | Release date: | 2007-07-03 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Nonenantioselectivity Property of Human Deoxycytidine Kinase Explained by Structures of the Enzyme in Complex with l- and d-Nucleosides.
J.Med.Chem., 50, 2007
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1LT5
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1LI1
 | | The 1.9-A crystal structure of the noncollagenous (NC1) domain of human placenta collagen IV shows stabilization via a novel type of covalent Met-Lys cross-link | | Descriptor: | ACETATE ION, Collagen alpha 1(IV), Collagen alpha 2(IV) | | Authors: | Than, M.E, Henrich, S, Huber, R, Ries, A, Mann, K, Kuhn, K, Timpl, R, Bourenkov, G.P, Bartunik, H.D, Bode, W. | | Deposit date: | 2002-04-17 | | Release date: | 2002-05-22 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | The 1.9-A crystal structure of the noncollagenous (NC1) domain of human placenta collagen IV shows stabilization via a novel type of covalent Met-Lys cross-link.
Proc.Natl.Acad.Sci.USA, 99, 2002
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2NP5
 | | Crystal structure of a transcriptional regulator (RHA1_ro04179) from Rhodococcus sp. Rha1. | | Descriptor: | DODECYL-BETA-D-MALTOSIDE, ETHYL DIMETHYL AMMONIO PROPANE SULFONATE, Transcriptional regulator | | Authors: | Chruszcz, M, Evdokimova, E, Kagan, O, Cymborowski, M, Savchenko, A, Edwards, A, Joachimiak, A, Minor, W, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2006-10-26 | | Release date: | 2006-11-28 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal structure of a transcriptional regulator (RHA1_ro04179) from Rhodococcus sp. Rha1.
TO BE PUBLISHED
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4NZ1
 | | Structure of Vibrio cholerae chitin de-N-acetylase in complex with DI(N-ACETYL-D-GLUCOSAMINE) (CBS) in P 21 | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | Authors: | Albesa-Jove, D, Andres, E, Biarnes, X, Planas, A, Guerin, M.E. | | Deposit date: | 2013-12-11 | | Release date: | 2014-08-13 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.051 Å) | | Cite: | Structural basis of chitin oligosaccharide deacetylation.
Angew.Chem.Int.Ed.Engl., 53, 2014
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