2N0Y
 
 | | NMR structure of the complex between the C-terminal domain of the Rift Valley fever virus protein NSs and the PH domain of the Tfb1 subunit of TFIIH | | Descriptor: | Non-structural protein NS-S, RNA polymerase II transcription factor B subunit 1 | | Authors: | Cyr, N, de la Fuente, C, Lecoq, L, Guendel, I, Chabot, P.R, Kehn-Hall, K, Omichinski, J.G. | | Deposit date: | 2015-03-18 | | Release date: | 2015-04-22 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | A Omega XaV motif in the Rift Valley fever virus NSs protein is essential for degrading p62, forming nuclear filaments and virulence.
Proc.Natl.Acad.Sci.USA, 112, 2015
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3UDQ
 | | Crystal Structure of BACE with Compound 13 | | Descriptor: | (4S)-6-bromo-1,1-dioxido-3,4-dihydro-2H-thiochromen-4-yl (3S,5'R)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxylate, Beta-secretase 1 | | Authors: | Efremov, I.V, Vajdos, F.F, Borzilleri, K, Capetta, S, Dorff, P, Dutra, J, Mansour, M, Oborski, C, O'Connell, T, O'Sullivan, T.J, Pandit, J, Wang, H, Withka, J. | | Deposit date: | 2011-10-28 | | Release date: | 2012-04-18 | | Last modified: | 2018-04-04 | | Method: | X-RAY DIFFRACTION (2.73 Å) | | Cite: | Discovery and optimization of a novel spiropyrrolidine inhibitor of {beta}-secretase (BACE1) through fragment-based drug design.
J.Med.Chem., 55, 2012
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2N5C
 | | Solution NMR structure of the lasso peptide chaxapeptin | | Descriptor: | chaxapeptin | | Authors: | Elsayed, S.S, Trusch, F, Deng, H, Raab, A, Prokes, I, Busarakam, K, Asenjo, J.A, Andrews, B.A, van West, P, Bull, A.T, Goodfellow, M, Yi, Y, Ebel, R, Jaspars, M, Rateb, M.E. | | Deposit date: | 2015-07-14 | | Release date: | 2015-10-07 | | Last modified: | 2023-06-14 | | Method: | SOLUTION NMR | | Cite: | Chaxapeptin, a Lasso Peptide from Extremotolerant Streptomyces leeuwenhoekii Strain C58 from the Hyperarid Atacama Desert.
J.Org.Chem., 80, 2015
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3UDM
 | | Crystal Structure of BACE with Compound 8 | | Descriptor: | 1,2-ETHANEDIOL, Beta-secretase 1, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Efremov, I.V, Vajdos, F.F, Borzilleri, K, Capetta, S, Dorff, P, Dutra, J, Mansour, M, Oborski, C, O'Connell, T, O'Sullivan, T.J, Pandit, J, Wang, H, Withka, J. | | Deposit date: | 2011-10-28 | | Release date: | 2012-04-18 | | Last modified: | 2017-11-08 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | Discovery and optimization of a novel spiropyrrolidine inhibitor of {beta}-secretase (BACE1) through fragment-based drug design.
J.Med.Chem., 55, 2012
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2WVB
 | | Structural and mechanistic insights into Helicobacter pylori NikR function | | Descriptor: | FORMIC ACID, GLYCEROL, PUTATIVE NICKEL-RESPONSIVE REGULATOR | | Authors: | Dian, C, Bahlawane, C, Muller, C, Round, A, Delay, C, Fauquant, C, Schauer, K, De Reuse, H, Michaud-Soret, I, Terradot, L. | | Deposit date: | 2009-10-16 | | Release date: | 2010-01-19 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural and Mechanistic Insights Into Helicobacter Pylori Nikr Activation.
Nucleic Acids Res., 38, 2010
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2WXQ
 | | The crystal structure of the murine class IA PI 3-kinase p110delta in complex with AS15. | | Descriptor: | 2-{[3-(2-METHOXYPHENYL)-4-OXO-3,4,5,6,7,8-HEXAHYDROQUINAZOLIN-2-YL]SULFANYL}-N-QUINOXALIN-6-YLACETAMIDE, PHOSPHATIDYLINOSITOL-4,5-BISPHOSPHATE 3-KINASE CATALYTIC SUBUNIT DELTA ISOFORM | | Authors: | Berndt, A, Miller, S, Williams, O, Lee, D.D, Houseman, B.T, Pacold, J.I, Gorrec, F, Hon, W.-C, Liu, Y, Rommel, C, Gaillard, P, Ruckle, T, Schwarz, M.K, Shokat, K.M, Shaw, J.P, Williams, R.L. | | Deposit date: | 2009-11-09 | | Release date: | 2010-01-12 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | The P110D Structure: Mechanisms for Selectivity and Potency of New Pi(3)K Inhibitors
Nat.Chem.Biol., 6, 2010
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3WOY
 | | Crystal structure of CLASP2 TOG domain (TOG2) | | Descriptor: | CLIP-associating protein 2 | | Authors: | Hayashi, I, Maki, T. | | Deposit date: | 2014-01-06 | | Release date: | 2015-05-27 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | CLASP2 Has Two Distinct TOG Domains That Contribute Differently to Microtubule Dynamics
J. Mol. Biol., 427, 2015
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5AP5
 | | Naturally Occurring Mutations in the MPS1 Gene Predispose Cells to Kinase Inhibitor Drug Resistance. | | Descriptor: | (2-hydroxyethoxy)acetaldehyde, 1,2-ETHANEDIOL, DUAL SPECIFICITY PROTEIN KINASE TTK, ... | | Authors: | Gurden, M.D, Westwood, I.M, Faisal, A, Naud, S, Cheung, K.J, McAndrew, C, Wood, A, Schmitt, J, Boxall, K, Mak, G, Workman, P, Burke, R, Hoelder, S, Blagg, J, van Montfort, R.L.M, Linardopoulos, S. | | Deposit date: | 2015-09-14 | | Release date: | 2015-09-23 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Naturally Occurring Mutations in the Mps1 Gene Predispose Cells to Kinase Inhibitor Drug Resistance.
Cancer Res., 75, 2015
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1G7X
 | | ASPARTATE AMINOTRANSFERASE ACTIVE SITE MUTANT N194A/R292L/R386L | | Descriptor: | ASPARTATE AMINOTRANSFERASE, PYRIDOXAL-5'-PHOSPHATE | | Authors: | Mizuguchi, H, Hayashi, H, Okada, K, Miyahara, I, Hirotsu, K, Kagamiyama, H. | | Deposit date: | 2000-11-15 | | Release date: | 2000-11-29 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Strain is more important than electrostatic interaction in controlling the pKa of the catalytic group in aspartate aminotransferase.
Biochemistry, 40, 2001
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2WI6
 | | Orally Active 2-Amino Thienopyrimidine Inhibitors of the Hsp90 Chaperone | | Descriptor: | 2-AMINO-4-(2,4-DICHLOROPHENYL)-N-ETHYLTHIENO[2,3-D]PYRIMIDINE-6-CARBOXAMIDE, HEAT SHOCK PROTEIN, HSP90-ALPHA | | Authors: | Brough, P.A, Barril, X, Borgognoni, J, Chene, P, Davies, N.G.M, Davis, B, Drysdale, M.J, Dymock, B, Eccles, S.A, Garcia-Echeverria, C, Fromont, C, Hayes, A, Hubbard, R.E, Jordan, A.M, Rugaard-Jensen, M, Massey, A, Merret, A, Padfield, A, Parsons, R, Radimerski, T, Raynaud, F.I, Robertson, A, Roughley, S.D, Schoepfer, J, Simmonite, H, Surgenor, A, Valenti, M, Walls, S, Webb, P, Wood, M, Workman, P, Wright, L.M. | | Deposit date: | 2009-05-08 | | Release date: | 2009-07-28 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.18 Å) | | Cite: | Combining Hit Identification Strategies: Fragment- Based and in Silico Approaches to Orally Active 2-Aminothieno[2,3-D]Pyrimidine Inhibitors of the Hsp90 Molecular Chaperone.
J.Med.Chem., 52, 2009
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3WVR
 | | Structure of ATP grasp protein with AMP | | Descriptor: | ADENOSINE MONOPHOSPHATE, GLYCEROL, PGM1, ... | | Authors: | Matsui, T, Noike, M, Ooya, K, Sasaki, I, Hamano, Y, Maruyama, C, Ishikawa, J, Satoh, Y, Ito, H, Dairi, T, Morita, H. | | Deposit date: | 2014-06-04 | | Release date: | 2014-11-19 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (2.175 Å) | | Cite: | A peptide ligase and the ribosome cooperate to synthesize the peptide pheganomycin.
Nat.Chem.Biol., 11, 2015
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1CDY
 | | STRUCTURE OF T-CELL SURFACE GLYCOPROTEIN CD4 MUTANT WITH GLY 47 REPLACED BY SER | | Descriptor: | T-CELL SURFACE GLYCOPROTEIN CD4 | | Authors: | Wu, H, Myszka, D, Tendian, S.W, Brouillette, C.G, Sweet, R.W, Chaiken, I.M, Hendrickson, W.A. | | Deposit date: | 1996-11-11 | | Release date: | 1997-04-01 | | Last modified: | 2021-11-03 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Kinetic and structural analysis of mutant CD4 receptors that are defective in HIV gp120 binding.
Proc.Natl.Acad.Sci.USA, 93, 1996
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2PF8
 | | Complex of Aldose Reductase with NADP+ and simaltaneously bound competetive inhibitors Fidarestat and IDD594. Concentration of Fidarestat in soaking solution is equal to concentration of IDD594. | | Descriptor: | (2S,4S)-2-AMINOFORMYL-6-FLUORO-SPIRO[CHROMAN-4,4'-IMIDAZOLIDINE]-2',5'-DIONE, Aldose reductase, CHLORIDE ION, ... | | Authors: | Petrova, T, Hazemann, I, Cousido, A, Mitschler, A, Ginell, S, Joachimiak, A, Podjarny, A. | | Deposit date: | 2007-04-04 | | Release date: | 2007-04-17 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (0.85 Å) | | Cite: | Crystal packing modifies ligand binding affinity: The case of aldose reductase.
Proteins, 80, 2012
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3WG5
 | | 1510-N membrane-bound stomatin-specific protease K138A mutant in complex with a substrate peptide under heat treatment | | Descriptor: | 441aa long hypothetical nfeD protein, CHLORIDE ION, GLYCEROL, ... | | Authors: | Yokoyama, H, Fujii, S, Matsui, I. | | Deposit date: | 2013-07-26 | | Release date: | 2013-10-23 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural and biochemical analysis of a thermostable membrane-bound stomatin-specific protease.
J.Synchrotron Radiat., 20, 2013
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3WVQ
 | | Structure of ATP grasp protein | | Descriptor: | GLYCEROL, PGM1, SULFATE ION | | Authors: | Matsui, T, Noike, M, Ooya, K, Sasaki, I, Hamano, Y, Maruyama, C, Ishikawa, J, Satoh, Y, Ito, H, Dairi, T, Morita, H. | | Deposit date: | 2014-06-04 | | Release date: | 2014-11-19 | | Last modified: | 2014-12-31 | | Method: | X-RAY DIFFRACTION (1.955 Å) | | Cite: | A peptide ligase and the ribosome cooperate to synthesize the peptide pheganomycin.
Nat.Chem.Biol., 11, 2015
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2K97
 | | Dimeric solution structure of the cyclic octamer d(pCGCTCCGT) | | Descriptor: | 5'-D(P*CP*GP*CP*TP*CP*CP*GP*T)-3' | | Authors: | Viladoms, J, Escaja, N, Frieden, M, Gomez-Pinto, I, Pedroso, E, Gonzalez, C. | | Deposit date: | 2008-09-30 | | Release date: | 2009-04-28 | | Last modified: | 2024-05-08 | | Method: | SOLUTION NMR | | Cite: | Self-association of short DNA loops through minor groove C:G:G:C tetrads.
Nucleic Acids Res., 37, 2009
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2K9Z
 | | NMR structure of the protein TM1112 | | Descriptor: | uncharacterized protein TM1112 | | Authors: | Mohanty, B, Pedrini, B, Serrano, P, Geralt, M, Horst, R, Herrmann, T, Wilson, I.A, Wuthrich, K, Joint Center for Structural Genomics (JCSG) | | Deposit date: | 2008-10-28 | | Release date: | 2008-11-25 | | Last modified: | 2024-05-08 | | Method: | SOLUTION NMR | | Cite: | Comparison of NMR and crystal structures for the proteins TM1112 and TM1367.
Acta Crystallogr.,Sect.F, 66, 2010
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3W6I
 | | Crystal structure of 19F probe-labeled hCAI | | Descriptor: | 1-(2-ethoxyethoxy)-3,5-bis(trifluoromethyl)benzene, Carbonic anhydrase 1, ZINC ION | | Authors: | Takaoka, Y, Kioi, Y, Morito, A, Otani, J, Arita, K, Ashihara, E, Ariyoshi, M, Tochio, H, Shirakawa, M, Hamachi, I. | | Deposit date: | 2013-02-14 | | Release date: | 2013-03-13 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.693 Å) | | Cite: | Quantitative Comparison of Protein Dynamics in Live Cells and In Vitro by In-Cell 19F-NMR
To be published
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2L84
 | | Solution NMR structures of CBP bromodomain with small molecule j28 | | Descriptor: | 5-[(E)-(2-amino-4-hydroxy-5-methylphenyl)diazenyl]-2,4-dimethylbenzenesulfonic acid, CREB-binding protein | | Authors: | Borah, J.C, Mujtaba, S, Karakikes, I, Zeng, L, Muller, M, Patel, J, Moshkina, N, Morohashi, K, Zhang, W, Gerona-Navarro, G, Hajjar, R.J, Zhou, M. | | Deposit date: | 2011-01-03 | | Release date: | 2011-01-19 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | A Small Molecule Binding to the Coactivator CREB-Binding Protein Blocks Apoptosis in Cardiomyocytes.
Chem.Biol., 18, 2011
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3WON
 | | Crystal structure of the DAP BII dipeptide complex III | | Descriptor: | GLYCEROL, TYROSINE, VALINE, ... | | Authors: | Sakamoto, Y, Suzuki, Y, Iizuka, I, Tateoka, C, Roppongi, S, Fujimoto, M, Nonaka, T, Ogasawara, W, Tanaka, N. | | Deposit date: | 2013-12-29 | | Release date: | 2014-09-03 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | S46 peptidases are the first exopeptidases to be members of clan PA
SCI REP, 4, 2014
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2L1O
 | | Zinc to cadmium replacement in the A. thaliana SUPERMAN Cys2His2 zinc finger induces structural rearrangements of typical DNA base determinant positions | | Descriptor: | CADMIUM ION, Transcriptional regulator SUPERMAN | | Authors: | Malgieri, G, Zaccaro, L, Leone, M, Bucci, E, Esposito, S, Baglivo, I, Del Gatto, A, Scandurra, R, Pedone, P.V, Fattorusso, R, Isernia, C. | | Deposit date: | 2010-07-31 | | Release date: | 2011-06-08 | | Last modified: | 2011-12-21 | | Method: | SOLUTION NMR | | Cite: | Zinc to cadmium replacement in the A. thaliana SUPERMAN Cys(2) His(2) zinc finger induces structural rearrangements of typical DNA base determinant positions.
Biopolymers, 95, 2011
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2RFN
 | | x-ray structure of c-Met with inhibitor. | | Descriptor: | 2-benzyl-5-(3-fluoro-4-{[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxy}phenyl)-3-methylpyrimidin-4(3H)-one, Hepatocyte growth factor receptor | | Authors: | Bellon, S.F, Kaplan-Lefko, P, Yang, Y, Zhang, Y, Moriguchi, J, Dussault, I. | | Deposit date: | 2007-10-01 | | Release date: | 2007-11-06 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | c-Met inhibitors with novel binding mode show activity against several hereditary papillary renal cell carcinoma-related mutations.
J.Biol.Chem., 283, 2008
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2LD4
 | | Solution structure of the N-terminal domain of human anamorsin | | Descriptor: | Anamorsin | | Authors: | Banci, L, Bertini, I, Ciofi-Baffoni, S, Boscaro, F, Chatzi, A, Mikolajczyk, M, Tokatlidis, K, Winkelmann, J. | | Deposit date: | 2011-05-13 | | Release date: | 2011-07-13 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Anamorsin Is a [2Fe-2S] Cluster-Containing Substrate of the Mia40-Dependent Mitochondrial Protein Trapping Machinery.
Chem.Biol., 18, 2011
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2L51
 | | Solution structure of calcium bound S100A16 | | Descriptor: | CALCIUM ION, Protein S100-A16 | | Authors: | Babini, E, Bertini, I, Borsi, V, Calderone, V, Hu, X, Luchinat, C, Parigi, G. | | Deposit date: | 2010-10-22 | | Release date: | 2010-11-03 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Structural characterization of human S100A16, a low-affinity calcium binder.
J.Biol.Inorg.Chem., 16, 2011
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2RMS
 | | Solution structure of the mSin3A PAH1-SAP25 SID complex | | Descriptor: | MSin3A-binding protein, Paired amphipathic helix protein Sin3a | | Authors: | Sahu, S.C, Swanson, K.A, Kang, R.S, Huang, K, Brubaker, K, Ratcliff, K, Radhakrishnan, I. | | Deposit date: | 2007-11-14 | | Release date: | 2008-01-22 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | Conserved Themes in Target Recognition by the PAH1 and PAH2 Domains of the Sin3 Transcriptional Corepressor
J.Mol.Biol., 375, 2007
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