4OKB
 
 | | Crystal structure of W741L-AR-LBD bound with co-regulator peptide | | Descriptor: | Androgen receptor, Protein BUD31 homolog, R-BICALUTAMIDE, ... | | Authors: | Liu, J.S, Hsu, C.L, Wu, W.G. | | Deposit date: | 2014-01-22 | | Release date: | 2014-08-20 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.95 Å) | | Cite: | Identification of a new androgen receptor (AR) co-regulator BUD31 and related peptides to suppress wild-type and mutated AR-mediated prostate cancer growth via peptide screening and X-ray structure analysis.
Mol Oncol, 8, 2014
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2OLE
 | | Crystal Structure Of Human Dipeptidyl Peptidase IV (DPPIV) Complex With Cyclic Hydrazine Derivatives | | Descriptor: | (2R)-4-(2-BENZOYL-1,2-DIAZEPAN-1-YL)-4-OXO-1-(2,4,5-TRIFLUOROPHENYL)BUTAN-2-AMINE, Dipeptidyl peptidase 4 | | Authors: | Kim, S.S, Ahn, J.H, Lee, J.O. | | Deposit date: | 2007-01-19 | | Release date: | 2008-01-22 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Synthesis, biological evaluation and structural determination of beta-aminoacyl-containing cyclic hydrazine derivatives as dipeptidyl peptidase IV (DPP-IV) inhibitors
Bioorg.Med.Chem.Lett., 17, 2007
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3CET
 | | Crystal structure of the pantheonate kinase-like protein Q6M145 at the resolution 1.8 A. Northeast Structural Genomics Consortium target MrR63 | | Descriptor: | Conserved archaeal protein, SULFATE ION | | Authors: | Kuzin, A.P, Su, M, Seetharaman, J, Forouhar, F, Wang, D, Fang, Y, Cunningham, K, Ma, L.-C, Xiao, R, Liu, J, Baran, J.F, Acton, T.B, Rost, B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2008-02-29 | | Release date: | 2008-03-18 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal structure of the pantheonate kinase-like protein Q6M145 at the resolution 1.8 A. Northeast Structural Genomics Consortium target MrR63.
To be Published
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2YXN
 | | Structual basis of azido-tyrosine recognition by engineered bacterial Tyrosyl-tRNA synthetase | | Descriptor: | 3-AZIDO-L-TYROSINE, Tyrosyl-tRNA synthetase | | Authors: | Oki, K, Kobayashi, T, Sakamoto, K, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 2007-04-26 | | Release date: | 2008-04-29 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Functional replacement of the endogenous tyrosyl-tRNA synthetase-tRNATyr pair by the archaeal tyrosine pair in Escherichia coli for genetic code expansion
Nucleic Acids Res., 38, 2010
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2P1E
 | | Crystal structure of the Leishmania infantum glyoxalase II with D-Lactate at the active site | | Descriptor: | Glyoxalase II, LACTIC ACID, SPERMIDINE, ... | | Authors: | Trincao, J, Barata, L, Najmudin, S, Bonifacio, C, Romao, M.J. | | Deposit date: | 2007-03-05 | | Release date: | 2008-01-15 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Catalysis and Structural Properties of Leishmania infantum Glyoxalase II: Trypanothione Specificity and Phylogeny.
Biochemistry, 47, 2008
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4LWF
 | | Crystal Structure of the human Hsp90-alpha N-domain bound to the hsp90 inhibitor FJ3 | | Descriptor: | 4-(5-amino-1,2-oxazol-3-yl)-6-(propan-2-yl)benzene-1,3-diol, Heat shock protein HSP 90-alpha | | Authors: | Li, J, Shi, F, Xiong, B, He, J. | | Deposit date: | 2013-07-27 | | Release date: | 2014-07-30 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Discovery of potent N-(isoxazol-5-yl)amides as HSP90 inhibitors.
Eur.J.Med.Chem., 87, 2014
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2NO5
 | | Crystal Structure analysis of a Dehalogenase with intermediate complex | | Descriptor: | (2S)-2-CHLOROPROPANOIC ACID, (S)-2-haloacid dehalogenase IVA, CHLORIDE ION, ... | | Authors: | Schmidberger, J.W, Wilce, M.C.J. | | Deposit date: | 2006-10-24 | | Release date: | 2007-09-25 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Crystal structures of the substrate free-enzyme, and reaction intermediate of the HAD superfamily member, haloacid dehalogenase DehIVa from Burkholderia cepacia MBA4
J.Mol.Biol., 368, 2007
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4X31
 | | Room temperature structure of bacteriorhodopsin from lipidic cubic phase obtained with serial millisecond crystallography using synchrotron radiation | | Descriptor: | 1-[2,6,10.14-TETRAMETHYL-HEXADECAN-16-YL]-2-[2,10,14-TRIMETHYLHEXADECAN-16-YL]GLYCEROL, Bacteriorhodopsin, RETINAL | | Authors: | Nogly, P, James, D, Wang, D, White, T, Zatsepin, N, Shilova, A, Nelson, G, Liu, H, Johansson, L, Heymann, M, Jaeger, K, Metz, M, Wickstrand, C, Wu, W, Baath, P, Berntsen, P, Oberthuer, D, Panneels, V, Cherezov, V, Chapman, H, Spence, J, Schertler, G, Neutze, R, Moraes, I, Burghammer, M, Standfuss, J, Weierstall, U. | | Deposit date: | 2014-11-27 | | Release date: | 2015-02-18 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Lipidic cubic phase serial millisecond crystallography using synchrotron radiation.
Iucrj, 2, 2015
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6I1J
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4LVF
 | | Fragment-based Identification of Amides Derived From trans-2-(Pyridin-3-yl)cyclopropanecarboxylic Acid as Potent Inhibitors of Human Nicotinamide Phosphoribosyltransferase (NAMPT) | | Descriptor: | (1S,2S)-2-phenyl-N-(pyridin-4-yl)cyclopropanecarboxamide, 1,2-ETHANEDIOL, Nicotinamide phosphoribosyltransferase, ... | | Authors: | Giannetti, A.M, Zheng, X, Skelton, N, Wang, W, Bravo, B, Feng, Y, Gunzner-Toste, J, Ho, Y, Hua, R, Wang, C, Zhao, Q, Liederer, B.M, Liu, Y, O'Brien, T, Oeh, J, Sampath, D, Shen, Y, Wang, L, Wu, H, Xiao, Y, Yuen, P, Zak, M, Zhao, G, Dragovich, P.S. | | Deposit date: | 2013-07-26 | | Release date: | 2013-09-25 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Identification of amides derived from 1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid as potent inhibitors of human nicotinamide phosphoribosyltransferase (NAMPT).
Bioorg.Med.Chem.Lett., 23, 2013
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4XLG
 | | C. glabrata Slx1 in complex with Slx4CCD. | | Descriptor: | CHLORIDE ION, Structure-specific endonuclease subunit SLX1, Structure-specific endonuclease subunit SLX4, ... | | Authors: | Gaur, V, Wyatt, H.D.M, Komorowska, W, Szczepanowski, R.H, de Sanctis, D, Gorecka, K.M, West, S.C, Nowotny, M. | | Deposit date: | 2015-01-13 | | Release date: | 2015-03-25 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | Structural and Mechanistic Analysis of the Slx1-Slx4 Endonuclease.
Cell Rep, 10, 2015
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6I49
 | | Structure of P. aeruginosa LpxC with compound 17a: (2R)-N-Hydroxy-2-methyl-2-(methylsulfonyl)-4(6((4(morpholinomethyl)phenyl)ethynyl)-3-oxo-1H-pyrrolo[1,2-c]imidazol-2(3H)yl)butanamide | | Descriptor: | (2~{R})-2-methyl-2-methylsulfonyl-4-[6-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]-3-oxidanylidene-1~{H}-pyrrolo[1,2-c]imidazol-2-yl]-~{N}-oxidanyl-butanamide, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ZINC ION | | Authors: | Surivet, J.-P, Panchaud, P, Specklin, J.-L, Diethelm, S, Blumstein, A.-C, Gauvin, J.-C, Jacob, L, Masse, F, Mathieu, G, Mirre, A, Schmitt, C, Enderlin-Paput, M, Lange, R, Bur, D, Tidten-Luksch, N, Gnerre, C, Seeland, S, Hermann, C, Locher, H.H, Seiler, P, Mac Sweeney, A, Hubschwerlen, C, Ritz, D, Rueedi, G. | | Deposit date: | 2018-11-09 | | Release date: | 2019-12-18 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | Discovery of Novel Inhibitors of LpxC Displaying Potent in Vitro Activity against Gram-Negative Bacteria.
J.Med.Chem., 63, 2020
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6I9K
 | | Crystal structure of Jumping Spider Rhodopsin-1 bound to 9-cis retinal | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Kumopsin1, RETINAL | | Authors: | Varma, N, Mutt, E, Muehle, J, Panneels, V, Terakita, A, Deupi, X, Nogly, P, Schertler, F.X.G, Lesca, E. | | Deposit date: | 2018-11-23 | | Release date: | 2019-07-03 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.145 Å) | | Cite: | Crystal structure of jumping spider rhodopsin-1 as a light sensitive GPCR.
Proc.Natl.Acad.Sci.USA, 116, 2019
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5ESF
 | | Saccharomyces cerevisiae CYP51 (Lanosterol 14-alpha demethylase) G73E mutant complexed with fluconazole | | Descriptor: | 2-(2,4-DIFLUOROPHENYL)-1,3-DI(1H-1,2,4-TRIAZOL-1-YL)PROPAN-2-OL, Lanosterol 14-alpha demethylase, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Sagatova, A, Keniya, M.V, Wilson, R.K, Sabherwal, M, Tyndall, J.D.A, Monk, B.C. | | Deposit date: | 2015-11-16 | | Release date: | 2016-11-23 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Impact of Homologous Resistance Mutations from Pathogenic Yeast on Saccharomyces cerevisiae Lanosterol 14 alpha-Demethylase.
Antimicrob.Agents Chemother., 62, 2018
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5ES9
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2VVU
 | | Aminopyrrolidine Factor Xa inhibitor | | Descriptor: | 5-chloro-N-[(3R)-1-(2-{[2-fluoro-4-(2-oxopyridin-1(2H)-yl)phenyl]amino}-2-oxoethyl)pyrrolidin-3-yl]thiophene-2-carboxamide, ACTIVATED FACTOR XA HEAVY CHAIN, CALCIUM ION, ... | | Authors: | Groebke-Zbinden, K, Banner, D.W, Benz, J.M, Blasco, F, Decoret, G, Himber, J, Kuhn, B, Panday, N, Ricklin, F, Risch, P, Schlatter, D, Stahl, M, Unger, R, Haap, W. | | Deposit date: | 2008-06-11 | | Release date: | 2009-07-07 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Design of Novel Aminopyrrolidine Factor Xa Inhibitors from a Screening Hit.
Eur.J.Med.Chem., 44, 2009
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2WB6
 | | Crystal structure of AFV1-102, a protein from the Acidianus Filamentous Virus 1 | | Descriptor: | AFV1-102, CHLORIDE ION | | Authors: | Keller, J, Leulliot, N, Collinet, B, Campanacci, V, Cambillau, C, Pranghisvilli, D, van Tilbeurgh, H. | | Deposit date: | 2009-02-22 | | Release date: | 2009-03-03 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Crystal Structure of Afv1-102, a Protein from the Acidianus Filamentous Virus 1.
Protein Sci., 18, 2009
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2Y9M
 | | Pex4p-Pex22p structure | | Descriptor: | 1,2-ETHANEDIOL, PEROXISOME ASSEMBLY PROTEIN 22, UBIQUITIN-CONJUGATING ENZYME E2-21 KDA | | Authors: | Williams, C, van den Berg, M, Panjikar, S, Distel, B, Wilmanns, M. | | Deposit date: | 2011-02-15 | | Release date: | 2011-10-26 | | Last modified: | 2017-12-13 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Insights Into Ubiquitin-Conjugating Enzyme/ Co-Activator Interactions from the Structure of the Pex4P:Pex22P Complex.
Embo J., 31, 2011
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2YBV
 | | STRUCTURE OF RUBISCO FROM THERMOSYNECHOCOCCUS ELONGATUS | | Descriptor: | CHLORIDE ION, RIBULOSE BISPHOSPHATE CARBOXYLASE LARGE CHAIN, RIBULOSE BISPHOSPHATE CARBOXYLASE SMALL SUBUNIT | | Authors: | Terlecka, B, Wilhelmi, V, Bialek, W, Gubernator, B, Szczepaniak, A, Hofmann, E. | | Deposit date: | 2011-03-10 | | Release date: | 2012-03-28 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structure of Ribulose-1,5-Bisphosphate Carboxylase Oxygenase from Thermosynechococcus Elongatus
To be Published
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1BFI
 | | SOLUTION STRUCTURE OF THE C-TERMINAL SH2 DOMAIN OF THE P85ALPHA REGULATORY SUBUNIT OF PHOSPHOINOSITIDE 3-KINASE, NMR, 30 STRUCTURES | | Descriptor: | P85 ALPHA | | Authors: | Siegal, G, Davis, B, Kristensen, S.M, Sankar, A, Linacre, J, Stein, R.C, Panayotou, G, Waterfield, M.D, Driscoll, P.C. | | Deposit date: | 1997-11-18 | | Release date: | 1998-02-25 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Solution structure of the C-terminal SH2 domain of the p85 alpha regulatory subunit of phosphoinositide 3-kinase.
J.Mol.Biol., 276, 1998
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1S3Y
 | | Structure Determination of Tetrahydroquinazoline Antifolates in Complex with Human and Pneumocystis carinii Dihydrofolate Reductase: Correlations of Enzyme Selectivity and Stereochemistry | | Descriptor: | 6-(OCTAHYDRO-1H-INDOL-1-YLMETHYL)DECAHYDROQUINAZOLINE-2,4-DIAMINE, Dihydrofolate reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Cody, V, Luft, J.R, Pangborn, W, Gangjee, A, Queener, S.F. | | Deposit date: | 2004-01-14 | | Release date: | 2004-03-30 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Structure determination of tetrahydroquinazoline antifolates in complex with human and Pneumocystis carinii dihydrofolate reductase: correlations between enzyme selectivity and stereochemistry.
Acta Crystallogr.,Sect.D, 60, 2004
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1AWW
 | | SH3 DOMAIN FROM BRUTON'S TYROSINE KINASE, NMR, 42 STRUCTURES | | Descriptor: | BRUTON'S TYROSINE KINASE | | Authors: | Hansson, H, Mattsson, P.T, Allard, P, Haapaniemi, P, Vihinen, M, Smith, C.I.E, Hard, T. | | Deposit date: | 1997-10-06 | | Release date: | 1998-04-08 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Solution structure of the SH3 domain from Bruton's tyrosine kinase.
Biochemistry, 37, 1998
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2YFQ
 | | Crystal structure of Glutamate dehydrogenase from Peptoniphilus asaccharolyticus | | Descriptor: | NAD-SPECIFIC GLUTAMATE DEHYDROGENASE, SULFATE ION | | Authors: | Oliveira, T, Panjikar, S, Carrigan, J.B, Sharkey, M.A, Hamza, M, Engel, P.C, Khan, A.R. | | Deposit date: | 2011-04-07 | | Release date: | 2011-11-23 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.94 Å) | | Cite: | Crystal Structure of Nad-Dependent Peptoniphilus Asaccharolyticus Glutamate Dehydrogenase Reveals Determinants of Cofactor Specificity.
J.Struct.Biol., 177, 2012
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2WU4
 | | CRYSTAL STRUCTURE OF MOUSE ACETYLCHOLINESTERASE IN COMPLEX WITH FENAMIPHOS AND ORTHO-7 | | Descriptor: | 1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIME, 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYLCHOLINESTERASE, ... | | Authors: | Hornberg, A, Artursson, E, Warme, R, Pang, Y.-P, Ekstrom, F. | | Deposit date: | 2009-09-28 | | Release date: | 2009-10-20 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crystal Structures of Oxime-Bound Fenamiphos-Acetylcholinesterases: Reactivation Involving Flipping of the His447 Ring to Form a Reactive Glu334-His447-Oxime Triad.
Biochem.Pharm., 79, 2010
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2Y9P
 | | Pex4p-Pex22p mutant II structure | | Descriptor: | PEROXISOME ASSEMBLY PROTEIN 22, UBIQUITIN-CONJUGATING ENZYME E2-21 KDA | | Authors: | Williams, C, van den Berg, M, Panjikar, S, Distel, B, Wilmanns, M. | | Deposit date: | 2011-02-16 | | Release date: | 2012-02-29 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (3.25 Å) | | Cite: | Pex4P-Pex22P Structure
To be Published
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