7WJ3
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![BU of 7wj3 by Molmil](/molmil-images/mine/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
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7WJ2
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![BU of 7wj2 by Molmil](/molmil-images/mine/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
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1U65
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![BU of 1u65 by Molmil](/molmil-images/mine/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
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5CMH
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![BU of 5cmh by Molmil](/molmil-images/mine/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
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6B3T
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![BU of 6b3t by Molmil](/molmil-images/mine/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
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3K9M
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![BU of 3k9m by Molmil](/molmil-images/mine/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
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5T6Y
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![BU of 5t6y by Molmil](/molmil-images/mine/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
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5FOR
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![BU of 5for by Molmil](/molmil-images/mine/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
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3K14
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![BU of 3k14 by Molmil](/molmil-images/mine/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
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4CEJ
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![BU of 4cej by Molmil](/molmil-images/mine/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
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4BWC
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![BU of 4bwc by Molmil](/molmil-images/mine/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
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6MT3
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![BU of 6mt3 by Molmil](/molmil-images/mine/6mt3) | |
4C2W
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![BU of 4c2w by Molmil](/molmil-images/mine/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
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6BKU
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![BU of 6bku by Molmil](/molmil-images/mine/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
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5CQN
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![BU of 5cqn by Molmil](/molmil-images/mine/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
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6MTM
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![BU of 6mtm by Molmil](/molmil-images/mine/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
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4BP9
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![BU of 4bp9 by Molmil](/molmil-images/mine/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
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3ZYX
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![BU of 3zyx by Molmil](/molmil-images/mine/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
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6MT5
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![BU of 6mt5 by Molmil](/molmil-images/mine/6mt5) | |
2VGP
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![BU of 2vgp by Molmil](/molmil-images/mine/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
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4N9F
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![BU of 4n9f by Molmil](/molmil-images/mine/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
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1K4T
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![BU of 1k4t by Molmil](/molmil-images/mine/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
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5CQM
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![BU of 5cqm by Molmil](/molmil-images/mine/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
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1OFM
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![BU of 1ofm by Molmil](/molmil-images/mine/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
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1OFL
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![BU of 1ofl by Molmil](/molmil-images/mine/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
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