7WJ3
 
 | | Crystal structure of HLA-C*1402 complexed with 4-mer lipopeptide | | Descriptor: | 1,2-ETHANEDIOL, 4-mer lipopeptide, Beta-2-microglobulin, ... | | Authors: | Kuroha, J, Morita, D, Asa, M, Sugita, M. | | Deposit date: | 2022-01-05 | | Release date: | 2022-06-22 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.56343615 Å) | | Cite: | Crystal structures of N-myristoylated lipopeptide-bound HLA class I complexes indicate reorganization of B-pocket architecture upon ligand binding.
J.Biol.Chem., 298, 2022
|
|
7WJ2
 | | Crystal structure of HLA-C*1402 complexed with 8-mer HIV gag peptide | | Descriptor: | 1,2-ETHANEDIOL, 8-mer peptide, ACETATE ION, ... | | Authors: | Kuroha, J, Morita, D, Asa, M, Sugita, M. | | Deposit date: | 2022-01-05 | | Release date: | 2022-06-22 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.28 Å) | | Cite: | Crystal structures of N-myristoylated lipopeptide-bound HLA class I complexes indicate reorganization of B-pocket architecture upon ligand binding.
J.Biol.Chem., 298, 2022
|
|
1U65
 | | Ache W. CPT-11 | | Descriptor: | (4S)-4,11-DIETHYL-4-HYDROXY-3,14-DIOXO-3,4,12,14-TETRAHYDRO-1H-PYRANO[3',4':6,7]INDOLIZINO[1,2-B]QUINOLIN-9-YL 1,4'-BIPIPERIDINE-1'-CARBOXYLATE, 2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholinesterase, ... | | Authors: | Harel, M, Hyatt, J.L, Brumshtein, B, Morton, C.L, Wadkins, R.W, Silman, I, Sussman, J.L, Potter, P.M, Israel Structural Proteomics Center (ISPC) | | Deposit date: | 2004-07-29 | | Release date: | 2005-07-19 | | Last modified: | 2021-06-02 | | Method: | X-RAY DIFFRACTION (2.61 Å) | | Cite: | The crystal structure of the complex of the anticancer prodrug 7-ethyl-10-[4-(1-piperidino)-1-piperidino]-carbonyloxycamptothecin (CPT-11) with Torpedo californica acetylcholinesterase provides a molecular explanation for its cholinergic action
Mol.Pharmacol., 67, 2005
|
|
5CMH
 | | GTA mutant with mercury - E303D | | Descriptor: | Histo-blood group ABO system transferase, MERCURY (II) ION | | Authors: | Gagnon, S.M.L, Blackler, R.J. | | Deposit date: | 2015-07-16 | | Release date: | 2016-07-20 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.61 Å) | | Cite: | Glycosyltransfer in mutants of putative catalytic residue Glu303 of the human ABO(H) A and B blood group glycosyltransferases GTA and GTB proceeds through a labile active site.
Glycobiology, 27, 2017
|
|
6B3T
 | | Crystal structure of acetyltransferase Eis from Mycobacterium tuberculosis in complex with a 1,2,4-triazino[5,6b]indole-3-thioether inhibitor analogue 39b | | Descriptor: | 8-fluoro-5-methyl-3-{[2-(piperidin-1-yl)ethyl]sulfanyl}-5H-[1,2,4]triazino[5,6-b]indole, COENZYME A, N-acetyltransferase Eis, ... | | Authors: | Gajadeera, C.S, Hou, C, Garneau-Tsodikova, S, Ngo, H.X, Tsodikov, O.V. | | Deposit date: | 2017-09-24 | | Release date: | 2018-04-04 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Potent 1,2,4-Triazino[5,6 b]indole-3-thioether Inhibitors of the Kanamycin Resistance Enzyme Eis from Mycobacterium tuberculosis.
ACS Infect Dis, 4, 2018
|
|
3K9M
 | | Cathepsin B in complex with stefin A | | Descriptor: | Cathepsin B, Cystatin-A | | Authors: | Renko, M, Turk, D. | | Deposit date: | 2009-10-16 | | Release date: | 2009-11-03 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.61 Å) | | Cite: | Stefin A displaces the occluding loop of cathepsin B only by as much as required to bind to the active site cleft
Febs J., 277, 2010
|
|
5T6Y
 | | HLA-B*57:01 presenting TSTFEDVKILAF | | Descriptor: | ACETATE ION, Beta-2-microglobulin, Decapeptide: THR-SER-THR-PHE-GLU-ASP-VAL-LYS-ILE-LEU-ALA-PHE, ... | | Authors: | Pymm, P, Rossjohn, J, Vivian, J.P. | | Deposit date: | 2016-09-02 | | Release date: | 2017-03-01 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | MHC-I peptides get out of the groove and enable a novel mechanism of HIV-1 escape.
Nat. Struct. Mol. Biol., 24, 2017
|
|
5FOR
 | | Cryptic TIR | | Descriptor: | 5-amino-2,4,6-triiodobenzene-1,3-dicarboxylic acid, PENTAETHYLENE GLYCOL, PHOSPHOINOSITIDE 3-KINASE ADAPTER PROTEIN 1 | | Authors: | Halabi, S, Gay, N.J, Moncrieffe, M.C. | | Deposit date: | 2015-11-25 | | Release date: | 2016-12-07 | | Last modified: | 2017-03-01 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structure of the Toll/Interleukin-1 Receptor (TIR) Domain of the B-cell Adaptor That Links Phosphoinositide Metabolism with the Negative Regulation of the Toll-like Receptor (TLR) Signalosome.
J. Biol. Chem., 292, 2017
|
|
3K14
 | | Co-crystal structure of 2C-methyl-D-erythritol 2,4-cyclodiphosphate synthase from Burkholderia pseudomallei with FOL fragment 535, ethyl 3-methyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole-2-carboxylate | | Descriptor: | 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase, ACETATE ION, CHLORIDE ION, ... | | Authors: | Seattle Structural Genomics Center for Infectious Disease (SSGCID) | | Deposit date: | 2009-09-25 | | Release date: | 2009-10-06 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Leveraging structure determination with fragment screening for infectious disease drug targets: MECP synthase from Burkholderia pseudomallei.
J Struct Funct Genomics, 12, 2011
|
|
4CEJ
 | | Crystal structure of AddAB-DNA-ADPNP complex at 3 Angstrom resolution | | Descriptor: | ATP-DEPENDENT HELICASE/DEOXYRIBONUCLEASE SUBUNIT B, ATP-DEPENDENT HELICASE/NUCLEASE SUBUNIT A, DNA, ... | | Authors: | Krajewski, W.W, Wilkinson, M, Fu, X, Cronin, N.B, Wigley, D. | | Deposit date: | 2013-11-11 | | Release date: | 2014-03-12 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structural Basis for Translocation by Addab Helicase-Nuclease and its Arrest at Chi Sites.
Nature, 508, 2014
|
|
4BWC
 | | X-ray structure of a phospholiapse B like protein 1 from bovine kidneys | | Descriptor: | 1-ETHOXY-2-(2-ETHOXYETHOXY)ETHANE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Repo, H, Kuokkanen, E, Oksanen, E, Goldman, A, Heikinheimo, P. | | Deposit date: | 2013-07-01 | | Release date: | 2013-09-18 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | Is the Bovine Lysosomal Phospholipase B-Like Protein an Amidase?
Proteins, 82, 2014
|
|
6MT3
 | |
4C2W
 | | Crystal structure of Aurora B in complex with AMP-PNP | | Descriptor: | AURORA KINASE B-A, INNER CENTROMERE PROTEIN A, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER | | Authors: | Sessa, F, Villa, F. | | Deposit date: | 2013-08-20 | | Release date: | 2014-02-26 | | Last modified: | 2014-03-19 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structure of Aurora B-Incenp in Complex with Barasertib Reveals a Potential Transinhibitory Mechanism
Acta Crystallogr.,Sect.F, 70, 2014
|
|
6BKU
 | | Crystal Structure of the Human CAMKK2B bound to GSK650394 | | Descriptor: | 2-cyclopentyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzoic acid, Calcium/calmodulin-dependent protein kinase kinase 2, FORMIC ACID | | Authors: | Counago, R.M, dos Reis, C.V, de Souza, G.P, Ramos, P.Z, Drewry, D, Massirer, K.B, Arruda, P, Edwards, A.M, Elkins, J.M, Structural Genomics Consortium (SGC) | | Deposit date: | 2017-11-09 | | Release date: | 2017-11-29 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal Structure of the Human CAMKK2B bound to GSK650394
To Be Published
|
|
5CQN
 | | GTB mutant without mercury - E303C | | Descriptor: | Histo-blood group ABO system transferase | | Authors: | Gagnon, S.M.L, Blackler, R.J. | | Deposit date: | 2015-07-22 | | Release date: | 2016-10-26 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.61 Å) | | Cite: | Glycosyltransfer in mutants of putative catalytic residue Glu303 of the human ABO(H) A and B blood group glycosyltransferases GTA and GTB proceeds through a labile active site.
Glycobiology, 27, 2017
|
|
6MTM
 | | Crystal Structure of EM2 TCR in complex with HLA-B*37:01-NP338 | | Descriptor: | Beta-2-microglobulin, EM2 TCR alpha chain, EM2 TCR beta chain, ... | | Authors: | Gras, S. | | Deposit date: | 2018-10-19 | | Release date: | 2019-02-13 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Broad CD8+T cell cross-recognition of distinct influenza A strains in humans.
Nat Commun, 9, 2018
|
|
4BP9
 | | Oligopeptidase B from Trypanosoma brucei with covalently bound antipain - closed form | | Descriptor: | ANTIPAIN, OLIGOPEPTIDASSE B | | Authors: | Canning, P, Rea, D, Morty, R, Fulop, V. | | Deposit date: | 2013-05-23 | | Release date: | 2014-02-12 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | Crystal Structures of Trypanosoma Brucei Oligopeptidase B Broaden the Paradigm of Catalytic Regulation in Prolyl Oligopeptidase Family Enzymes.
Plos One, 8, 2013
|
|
3ZYX
 | | Crystal structure of human monoamine oxidase B in complex with methylene blue and bearing the double mutation I199A-Y326A | | Descriptor: | 3,7-BIS(DIMETHYLAMINO)PHENOTHIAZIN-5-IUM, AMINE OXIDASE [FLAVIN-CONTAINING] B, FLAVIN-ADENINE DINUCLEOTIDE | | Authors: | Milczek, E.M, Binda, C, Rovida, S, Mattevi, A, Edmondson, D.E. | | Deposit date: | 2011-08-29 | | Release date: | 2011-12-14 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | The 'Gating' Residues Ile199 and Tyr326 in Human Monoamine Oxidase B Function in Substrate and Inhibitor Recognition.
FEBS J., 278, 2011
|
|
6MT5
 | |
2VGP
 | | Crystal structure of Aurora B kinase in complex with a aminothiazole inhibitor | | Descriptor: | 4-[(5-bromo-1,3-thiazol-2-yl)amino]-N-methylbenzamide, INNER CENTROMERE PROTEIN A, SERINE/THREONINE-PROTEIN KINASE 12-A | | Authors: | Andersen, C.B, Wan, Y, Chang, J.W, Lee, C, Liu, Y, Sessa, F, Villa, F, Nallan, L, Musacchio, A, Gray, N.S. | | Deposit date: | 2007-11-15 | | Release date: | 2008-02-26 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Discovery of Selective Aminothiazole Aurora Kinase Inhibitors
Acs Chem.Biol., 3, 2008
|
|
4N9F
 | | Crystal structure of the Vif-CBFbeta-CUL5-ElOB-ElOC pentameric complex | | Descriptor: | Core-binding factor subunit beta, Cullin-5, Transcription elongation factor B polypeptide 1, ... | | Authors: | Guo, Y.Y, Dong, L.Y, Huang, Z.W. | | Deposit date: | 2013-10-21 | | Release date: | 2014-01-08 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Structural basis for hijacking CBF-b and CUL5 E3 ligase complex by HIV-1 Vif
Nature, 505, 2014
|
|
1K4T
 | | HUMAN DNA TOPOISOMERASE I (70 KDA) IN COMPLEX WITH THE POISON TOPOTECAN AND COVALENT COMPLEX WITH A 22 BASE PAIR DNA DUPLEX | | Descriptor: | (S)-10-[(DIMETHYLAMINO)METHYL]-4-ETHYL-4,9-DIHYDROXY-1H-PYRANO[3',4':6,7]INOLIZINO[1,2-B]-QUINOLINE-3,14(4H,12H)-DIONE, 2-(1-DIMETHYLAMINOMETHYL-2-HYDROXY-8-HYDROXYMETHYL-9-OXO-9,11-DIHYDRO-INDOLIZINO[1,2-B]QUINOLIN-7-YL)-2-HYDROXY-BUTYRIC ACID, 5'-D(*(TGP)P*GP*AP*AP*AP*AP*AP*TP*TP*TP*TP*T)-3', ... | | Authors: | Staker, B.L, Hjerrild, K, Feese, M.D, Behnke, C.A, Burgin Jr, A.B, Stewart, L.J. | | Deposit date: | 2001-10-08 | | Release date: | 2002-12-04 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | The mechanism of topoisomerase I poisoning by a camptothecin analog
Proc.Natl.Acad.Sci.USA, 99, 2002
|
|
5CQM
 | | GTB mutant with mercury - E303C | | Descriptor: | Histo-blood group ABO system transferase, MERCURY (II) ION | | Authors: | Gagnon, S.M.L, Blackler, R.J. | | Deposit date: | 2015-07-22 | | Release date: | 2016-10-26 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Glycosyltransfer in mutants of putative catalytic residue Glu303 of the human ABO(H) A and B blood group glycosyltransferases GTA and GTB proceeds through a labile active site.
Glycobiology, 27, 2017
|
|
1OFM
 | | CRYSTAL STRUCTURE OF CHONDROITINASE B COMPLEXED TO CHONDROITIN 4-SULFATE TETRASACCHARIDE | | Descriptor: | 4-deoxy-alpha-L-threo-hex-4-enopyranuronic acid-(1-3)-2-acetamido-2-deoxy-4-O-sulfo-beta-D-galactopyranose-(1-4)-beta-D-glucopyranuronic acid-(1-3)-2-acetamido-2-deoxy-4-O-sulfo-beta-D-galactopyranose, CHONDROITINASE B, alpha-D-galactopyranose-(1-3)-[beta-D-glucopyranose-(1-4)]2-O-methyl-alpha-L-fucopyranose-(1-4)-beta-D-xylopyranose-(1-4)-alpha-D-glucopyranuronic acid-(1-2)-[alpha-L-rhamnopyranose-(1-4)]alpha-D-mannopyranose | | Authors: | Michel, G, Cygler, M. | | Deposit date: | 2003-04-15 | | Release date: | 2004-04-19 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | The Structure of Chondroitin B Lyase Complexed with Glycosaminoglycan Oligosaccharides Unravels a Calcium-Dependent Catalytic Machinery
J.Biol.Chem., 279, 2004
|
|
1OFL
 | | CRYSTAL STRUCTURE OF CHONDROITINASE B COMPLEXED TO DERMATAN SULFATE HEXASACCHARIDE | | Descriptor: | 4-deoxy-alpha-L-threo-hex-4-enopyranuronic acid-(1-3)-2-acetamido-2-deoxy-4-O-sulfo-alpha-D-galactopyranose, 4-deoxy-alpha-L-threo-hex-4-enopyranuronic acid-(1-3)-2-acetamido-2-deoxy-4-O-sulfo-beta-D-galactopyranose, CALCIUM ION, ... | | Authors: | Michel, G, Cygler, M. | | Deposit date: | 2003-04-15 | | Release date: | 2004-06-10 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | The Structure of Chondroitin B Lyase Complexed with Glycosaminoglycan Oligosaccharides Unravels a Calcium-Dependent Catalytic Machinery
J.Biol.Chem., 279, 2004
|
|
