3EON
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4H8I
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![BU of 4h8i by Molmil](/molmil-images/mine/4h8i) | Structure of GluK2-LBD in complex with GluAzo | Descriptor: | (4R)-4-[(2E)-3-{4-[(E)-phenyldiazenyl]phenyl}prop-2-en-1-yl]-L-glutamic acid, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, ... | Authors: | Reiter, A, Skerra, A, Trauner, D, Schiefner, A. | Deposit date: | 2012-09-22 | Release date: | 2013-09-25 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | A photoswitchable neurotransmitter analogue bound to its receptor. Biochemistry, 52, 2013
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3E6H
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![BU of 3e6h by Molmil](/molmil-images/mine/3e6h) | MHC CLASS I H-2Dd heavy chain complexed with Beta-2 Microglobulin and a variant peptide, PI10, from the human immunodeficiency virus (BaL) envelope glycoprotein 120 | Descriptor: | Envelope glycoprotein 10-residue peptide, H-2 class I histocompatibility antigen, D-D alpha chain, ... | Authors: | Wang, R, Natarajan, K, Robinson, H, Margulies, D.H. | Deposit date: | 2008-08-15 | Release date: | 2009-08-18 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Different vaccine vectors delivering the same antigen elicit CD8+ T cell responses with distinct clonotype and epitope specificity J.Immunol., 183, 2009
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4H94
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![BU of 4h94 by Molmil](/molmil-images/mine/4h94) | Radiation damage in lysozyme - 0.56 MGy | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Lysozyme C | Authors: | Sutton, K.A, Snell, E.H. | Deposit date: | 2012-09-24 | Release date: | 2013-05-15 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Insights into the mechanism of X-ray-induced disulfide-bond cleavage in lysozyme crystals based on EPR, optical absorption and X-ray diffraction studies. Acta Crystallogr.,Sect.D, 69, 2013
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3PVQ
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4H97
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![BU of 4h97 by Molmil](/molmil-images/mine/4h97) | Candida albicans dihydrofolate reductase complexed with NADPH and 5-{3-[3-methoxy-5-(4-methylphenyl)phenyl]but-1-yn-1-yl}-6-methylpyrimidine-2,4-diamine (UCP111D4M) | Descriptor: | 5-[(3R)-3-(5-methoxy-4'-methylbiphenyl-3-yl)but-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine, Dihydrofolate Reductase, GLYCEROL, ... | Authors: | Paulsen, J.L, Anderson, A.C. | Deposit date: | 2012-09-24 | Release date: | 2013-03-27 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural analysis of the active sites of dihydrofolate reductase from two species of Candida uncovers ligand-induced conformational changes shared among species. Bioorg.Med.Chem.Lett., 23, 2013
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3QSF
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![BU of 3qsf by Molmil](/molmil-images/mine/3qsf) | The first crystal structure of a human telomeric G-quadruplex DNA bound to a metal-containing ligand (a nickel complex) | Descriptor: | 5'-D(*AP*GP*GP*GP*TP*TP*AP*GP*GP*GP*TP*T)-3', POTASSIUM ION, [2,2'-{(4,5-difluorobenzene-1,2-diyl)bis[(nitrilo-kappaN)methylylidene]}bis{5-[2-(piperidin-1-yl)ethoxy]phenolato-kappa O}(2-)]nickel (II) | Authors: | Campbell, N.H, Abd Karim, N.H, Parkinson, G.N, Vilar, R, Neidle, S. | Deposit date: | 2011-02-21 | Release date: | 2011-12-07 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Molecular basis of structure-activity relationships between salphen metal complexes and human telomeric DNA quadruplexes. J.Med.Chem., 55, 2012
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4HAB
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![BU of 4hab by Molmil](/molmil-images/mine/4hab) | Crystal structure of Plk1 Polo-box domain in complex with PL-49 | Descriptor: | 3-CYCLOHEXYL-1-PROPYLSULFONIC ACID, PHOSPHATE ION, PL-49, ... | Authors: | Lee, W.C, Song, J.H, Kim, H.Y. | Deposit date: | 2012-09-26 | Release date: | 2013-04-03 | Last modified: | 2022-12-21 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Development of cyclic peptomer inhibitors targeting the polo-box domain of polo-like kinase 1. Bioorg.Med.Chem., 21, 2013
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3E9E
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3E9V
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![BU of 3e9v by Molmil](/molmil-images/mine/3e9v) | Crystal structure of human B-cell Translocation Gene 2 (BTG2) | Descriptor: | 1,2-ETHANEDIOL, Protein BTG2 | Authors: | Sampathkumar, P, Romero, R, Wasserman, S, Hu, S, Maletic, M, Freeman, J, Tarun, G, Atwell, S, Sauder, J.M, Burley, S.K, New York SGX Research Center for Structural Genomics (NYSGXRC) | Deposit date: | 2008-08-23 | Release date: | 2008-10-14 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystal structure of human B-cell Translocation Gene 2 (BTG2) To be Published
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3EA1
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![BU of 3ea1 by Molmil](/molmil-images/mine/3ea1) | Crystal Structure of the Y247S/Y251S Mutant of Phosphatidylinositol-Specific Phospholipase C from Bacillus Thuringiensis | Descriptor: | 1-phosphatidylinositol phosphodiesterase, ZINC ION | Authors: | Shi, X, Shao, C, Zhang, X, Zambonelli, C, Redfied, A.G, Head, J.F, Seaton, B.A, Roberts, M.F. | Deposit date: | 2008-08-24 | Release date: | 2009-04-14 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Modulation of bacillus thuringiensis phosphatidylinositol-specific phospholipase C activity by mutations in the putative dimerization interface. J.Biol.Chem., 284, 2009
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4HAR
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3QWN
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4HBE
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3QVA
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3EL4
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![BU of 3el4 by Molmil](/molmil-images/mine/3el4) | Crystal structure of inhibitor saquinavir (SQV) complexed with the multidrug HIV-1 protease variant L63P/V82T/I84V | Descriptor: | (2S)-N-[(2S,3R)-4-[(2S,3S,4aS,8aS)-3-(tert-butylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-hydroxy-1 -phenyl-butan-2-yl]-2-(quinolin-2-ylcarbonylamino)butanediamide, ACETATE ION, Protease | Authors: | Prabu-Jeyabalan, M, King, N, Schiffer, C. | Deposit date: | 2008-09-19 | Release date: | 2009-09-01 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Extreme Entropy-Enthalpy Compensation in a Drug-Resistant Variant of HIV-1 Protease. Acs Chem.Biol., 7, 2012
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3QRP
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![BU of 3qrp by Molmil](/molmil-images/mine/3qrp) | Structure of Thermus Thermophilus Cse3 bound to an RNA representing a product mimic complex | Descriptor: | Putative uncharacterized protein TTHB192, RNA (5'-R(*GP*UP*CP*CP*CP*CP*AP*CP*(PGP))-3'), RNA (5'-R(P*(U5P)P*GP*UP*GP*GP*GP*G)-3'), ... | Authors: | Schellenberg, M.J, Gesner, E.M, Garside, E.L, MacMillan, A.M. | Deposit date: | 2011-02-18 | Release date: | 2011-05-25 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.352 Å) | Cite: | Recognition and maturation of effector RNAs in a CRISPR interference pathway. Nat.Struct.Mol.Biol., 18, 2011
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3EOO
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3QTC
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![BU of 3qtc by Molmil](/molmil-images/mine/3qtc) | Crystal structure of the catalytic domain of MmOmeRS, an O-methyl tyrosyl-tRNA synthetase evolved from Methanosarcina mazei PylRS, complexed with O-methyl tyrosine and AMP-PNP | Descriptor: | 1,2-ETHANEDIOL, MAGNESIUM ION, O-methyl-L-tyrosine, ... | Authors: | Dellas, N, Takimoto, J.K, Noel, J.P, Wang, L. | Deposit date: | 2011-02-22 | Release date: | 2011-05-25 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Stereochemical Basis for Engineered Pyrrolysyl-tRNA Synthetase and the Efficient in Vivo Incorporation of Structurally Divergent Non-native Amino Acids. Acs Chem.Biol., 6, 2011
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3EN4
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![BU of 3en4 by Molmil](/molmil-images/mine/3en4) | Targeted polypharmacology: crystal structure of the c-Src kinase domain in complex with PP121, a multitargeted kinase inhibitor | Descriptor: | 1-cyclopentyl-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Proto-oncogene tyrosine-protein kinase Src | Authors: | Blair, J.A, Apsel, B, Knight, Z.A, Shokat, K.M. | Deposit date: | 2008-09-25 | Release date: | 2008-10-14 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases. Nat.Chem.Biol., 4, 2008
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3QUA
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4HFQ
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![BU of 4hfq by Molmil](/molmil-images/mine/4hfq) | Crystal structure of UDP-X diphosphatase | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DI(HYDROXYETHYL)ETHER, ... | Authors: | Duong-Ly, K.C, Amzel, L.M, Gabelli, S.B. | Deposit date: | 2012-10-05 | Release date: | 2013-08-07 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.39 Å) | Cite: | A UDP-X diphosphatase from Streptococcus pneumoniae hydrolyzes precursors of peptidoglycan biosynthesis. Plos One, 8, 2013
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3QVJ
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3EVQ
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4D89
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![BU of 4d89 by Molmil](/molmil-images/mine/4d89) | Crystal Structure of Human Beta Secretase in Complex with NVP-BXD552, derived from a soaking experiment | Descriptor: | (3S,4S,5R)-3-(4-amino-3-{[(2R)-3-ethoxy-1,1,1-trifluoropropan-2-yl]oxy}-5-fluorobenzyl)-5-[(3-tert-butylbenzyl)amino]tetrahydro-2H-thiopyran-4-ol 1,1-dioxide, Beta-secretase 1 | Authors: | Rondeau, J.M, Bourgier, E. | Deposit date: | 2012-01-10 | Release date: | 2012-11-21 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Discovery of cyclic sulfone hydroxyethylamines as potent and selective beta-site APP-cleaving enzyme 1 (BACE1) inhibitors: structure based design and in vivo reduction of amyloid beta-peptides J.Med.Chem., 55, 2012
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