7JP4
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6I5Y
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![BU of 6i5y by Molmil](/molmil-images/mine/6i5y) | Crystal structure of E. coli tyrRS in complex with 5'-O-(N-L-tyrosyl)sulfamoyl-adenosine | Descriptor: | 1,2-ETHANEDIOL, 5'-O-[N-(L-TYROSYL)SULFAMOYL]ADENOSINE, Tyrosine--tRNA ligase | Authors: | De Graef, S, Pang, L, Strelkov, S.V, Weeks, S.D. | Deposit date: | 2018-11-15 | Release date: | 2019-04-17 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Comparative analysis of pyrimidine substituted aminoacyl-sulfamoyl nucleosides as potential inhibitors targeting class I aminoacyl-tRNA synthetases. Eur.J.Med.Chem., 173, 2019
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4N3M
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![BU of 4n3m by Molmil](/molmil-images/mine/4n3m) | Joint neutron/X-ray structure of urate oxidase in complex with 8-azaxanthine | Descriptor: | 8-AZAXANTHINE, CHLORIDE ION, SODIUM ION, ... | Authors: | Oksanen, E, Blakeley, M.P, Budayova-Spano, M. | Deposit date: | 2013-10-07 | Release date: | 2014-02-05 | Last modified: | 2018-06-13 | Method: | NEUTRON DIFFRACTION (1.919 Å), X-RAY DIFFRACTION | Cite: | The neutron structure of urate oxidase resolves a long-standing mechanistic conundrum and reveals unexpected changes in protonation. Plos One, 9, 2014
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2YJA
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![BU of 2yja by Molmil](/molmil-images/mine/2yja) | Stapled Peptides binding to Estrogen Receptor alpha. | Descriptor: | ESTRADIOL, ESTROGEN RECEPTOR, STAPLED PEPTIDE | Authors: | Phillips, C, Roberts, L.R, Schade, M, Bazin, R, Bent, A, Davies, N.L, Irving, S.L, Moore, R, Pannifer, A.D, Brown, D.G, Pickford, A.R, Scott, A, Xu, B. | Deposit date: | 2011-05-19 | Release date: | 2011-08-03 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Design and Structure of Stapled Peptides Binding to Estrogen Receptors. J.Am.Chem.Soc., 133, 2011
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7Z9F
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![BU of 7z9f by Molmil](/molmil-images/mine/7z9f) | Human anionic trypsin after autoproteolysis at Arg122 | Descriptor: | CALCIUM ION, Trypsin-2 | Authors: | Nagel, F, Palm, G.J, Delcea, M, Lammers, M. | Deposit date: | 2022-03-21 | Release date: | 2022-06-29 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural Basis of the Pancreatitis-Associated Autoproteolytic Failsafe Mechanism in Human Anionic Trypsin. J Inflamm Res, 15, 2022
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1DV9
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![BU of 1dv9 by Molmil](/molmil-images/mine/1dv9) | STRUCTURAL CHANGES ACCOMPANYING PH-INDUCED DISSOCIATION OF THE B-LACTOGLOBULIN DIMER | Descriptor: | BETA-LACTOGLOBULIN | Authors: | Uhrinova, S, Smith, M.H, Jameson, G.B, Uhrin, D, Sawyer, L, Barlow, P.N. | Deposit date: | 2000-01-20 | Release date: | 2000-02-09 | Last modified: | 2022-02-16 | Method: | SOLUTION NMR | Cite: | Structural changes accompanying pH-induced dissociation of the beta-lactoglobulin dimer. Biochemistry, 39, 2000
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1BEN
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![BU of 1ben by Molmil](/molmil-images/mine/1ben) | INSULIN COMPLEXED WITH 4-HYDROXYBENZAMIDE | Descriptor: | 4-HYDROXYBENZAMIDE, CHLORIDE ION, HUMAN INSULIN, ... | Authors: | Smith, G.D, Ciszak, E, Pangborn, W. | Deposit date: | 1996-02-15 | Release date: | 1996-07-11 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | A novel complex of a phenolic derivative with insulin: structural features related to the T-->R transition. Protein Sci., 5, 1996
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1BDW
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1SJ5
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![BU of 1sj5 by Molmil](/molmil-images/mine/1sj5) | Crystal structure of a duf151 family protein (tm0160) from thermotoga maritima at 2.8 A resolution | Descriptor: | conserved hypothetical protein TM0160 | Authors: | Spraggon, G, Panatazatos, D, Klock, H.E, Wilson, I.A, Woods Jr, V.L, Lesley, S.A, Joint Center for Structural Genomics (JCSG) | Deposit date: | 2004-03-02 | Release date: | 2005-03-01 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | On the use of DXMS to produce more crystallizable proteins: structures of the T. maritima proteins TM0160 and TM1171. Protein Sci., 13, 2004
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4M5Y
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![BU of 4m5y by Molmil](/molmil-images/mine/4m5y) | Crystal structure of broadly neutralizing Fab 5J8 | Descriptor: | DI(HYDROXYETHYL)ETHER, Fab 5J8 heavy chain, Fab 5J8 light chain, ... | Authors: | Lee, P.S, Wilson, I.A. | Deposit date: | 2013-08-08 | Release date: | 2013-09-25 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Antibody Recognition of the Pandemic H1N1 Influenza Virus Hemagglutinin Receptor Binding Site. J.Virol., 87, 2013
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4LWH
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![BU of 4lwh by Molmil](/molmil-images/mine/4lwh) | Crystal Structure of the human Hsp90-alpha N-domain bound to the hsp90 inhibitor FJ5 | Descriptor: | Heat shock protein HSP 90-alpha, N-{3-[2,4-dihydroxy-5-(propan-2-yl)phenyl]-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazol-5-yl}cyclopropanecarboxamide | 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 (1.7 Å) | Cite: | Discovery of potent N-(isoxazol-5-yl)amides as HSP90 inhibitors. Eur.J.Med.Chem., 87, 2014
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2F4J
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![BU of 2f4j by Molmil](/molmil-images/mine/2f4j) | Structure of the Kinase Domain of an Imatinib-Resistant Abl Mutant in Complex with the Aurora Kinase Inhibitor VX-680 | Descriptor: | CYCLOPROPANECARBOXYLIC ACID {4-[4-(4-METHYL-PIPERAZIN-1-YL)-6-(5-METHYL-2H-PYRAZOL-3-YLAMINO)-PYRIMIDIN-2-YLSULFANYL]-PHENYL}-AMIDE, Proto-oncogene tyrosine-protein kinase ABL1 | Authors: | Young, M.A, Shah, N.P, Chao, L.H, Zarrinkar, P, Sawyers, P, Kuriyan, J. | Deposit date: | 2005-11-23 | Release date: | 2006-01-24 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.91 Å) | Cite: | Structure of the kinase domain of an imatinib-resistant Abl mutant in complex with the Aurora kinase inhibitor VX-680. Cancer Res., 66, 2006
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1DLR
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![BU of 1dlr by Molmil](/molmil-images/mine/1dlr) | METHOTREXATE-RESISTANT VARIANTS OF HUMAN DIHYDROFOLATE REDUCTASE WITH SUBSTITUTION OF LEUCINE 22: KINETICS, CRYSTALLOGRAPHY AND POTENTIAL AS SELECTABLE MARKERS | Descriptor: | 6-(2,5-DIMETHOXY-BENZYL)-5-METHYL-PYRIDO[2,3-D]PYRIMIDINE-2,4-DIAMINE, DIHYDROFOLATE REDUCTASE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Cody, V, Galitsky, N, Luft, J.R, Pangborn, W. | Deposit date: | 1995-01-25 | Release date: | 1995-04-20 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Methotrexate-resistant variants of human dihydrofolate reductase with substitutions of leucine 22. Kinetics, crystallography, and potential as selectable markers. J.Biol.Chem., 270, 1995
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1DLS
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![BU of 1dls by Molmil](/molmil-images/mine/1dls) | METHOTREXATE-RESISTANT VARIANTS OF HUMAN DIHYDROFOLATE REDUCTASE WITH SUBSTITUTION OF LEUCINE 22: KINETICS, CRYSTALLOGRAPHY AND POTENTIAL AS SELECTABLE MARKERS | Descriptor: | DIHYDROFOLATE REDUCTASE, METHOTREXATE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Cody, V, Galitsky, N, Luft, J.R, Pangborn, W. | Deposit date: | 1995-01-25 | Release date: | 1995-04-20 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Methotrexate-resistant variants of human dihydrofolate reductase with substitutions of leucine 22. Kinetics, crystallography, and potential as selectable markers. J.Biol.Chem., 270, 1995
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1EI3
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![BU of 1ei3 by Molmil](/molmil-images/mine/1ei3) | CRYSTAL STRUCTURE OF NATIVE CHICKEN FIBRINOGEN | Descriptor: | FIBRINOGEN | Authors: | Yang, Z, Mochalkin, I, Veerapandian, L, Riley, M, Doolittle, R.F. | Deposit date: | 2000-02-23 | Release date: | 2000-05-10 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (5.5 Å) | Cite: | Crystal structure of native chicken fibrinogen at 5.5-A resolution. Proc.Natl.Acad.Sci.USA, 97, 2000
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5L6R
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![BU of 5l6r by Molmil](/molmil-images/mine/5l6r) | PrP226* - Solution-state NMR structure of truncated human prion protein | Descriptor: | Major prion protein | Authors: | Kovac, V, Zupancic, B, Ilc, G, Curin Serbec, V, Plavec, J. | Deposit date: | 2016-05-31 | Release date: | 2016-10-05 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | Truncated prion protein PrP226* - A structural view on its role in amyloid disease. Biochem. Biophys. Res. Commun., 484, 2017
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5EQE
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![BU of 5eqe by Molmil](/molmil-images/mine/5eqe) | Crystal structure of choline kinase alpha-1 bound by [4-[(4-methyl-1,4-diazepan-1-yl)methyl]phenyl]methanamine (compound 11) | Descriptor: | Choline kinase alpha, [4-[(4-methyl-1,4-diazepan-1-yl)methyl]phenyl]methanamine | Authors: | Zhou, T, Zhu, X, Dalgarno, D.C. | Deposit date: | 2015-11-12 | Release date: | 2016-01-06 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Novel Small Molecule Inhibitors of Choline Kinase Identified by Fragment-Based Drug Discovery. J.Med.Chem., 59, 2016
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5LI4
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![BU of 5li4 by Molmil](/molmil-images/mine/5li4) | bacteriophage phi812K1-420 tail sheath protein after contraction | Descriptor: | tail sheath protein | Authors: | Novacek, J, Siborova, M, Benesik, M, Pantucek, R, Doskar, J, Plevka, P. | Deposit date: | 2016-07-14 | Release date: | 2017-07-19 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (4.2 Å) | Cite: | Structure and genome release of Twort-like Myoviridae phage with a double-layered baseplate. Proc. Natl. Acad. Sci. U.S.A., 113, 2016
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5BRN
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![BU of 5brn by Molmil](/molmil-images/mine/5brn) | Human HGPRT in complex with (S)-HPEPHx, an acyclic nucleoside phosphonate | Descriptor: | (2-{[(2S)-1-hydroxy-3-(6-oxo-1,6-dihydro-9H-purin-9-yl)propan-2-yl]oxy}ethyl)phosphonic acid, Hypoxanthine-guanine phosphoribosyltransferase, MAGNESIUM ION | Authors: | Keough, D.T, Guddat, L.W, Kaiser, M.M, Hockova, D, Wang, T.-H, Janeba, Z. | Deposit date: | 2015-05-31 | Release date: | 2015-10-14 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Synthesis and Evaluation of Novel Acyclic Nucleoside Phosphonates as Inhibitors of Plasmodium falciparum and Human 6-Oxopurine Phosphoribosyltransferases. Chemmedchem, 10, 2015
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5BSK
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![BU of 5bsk by Molmil](/molmil-images/mine/5bsk) | Human HGPRT in complex with (S)-HPEPG, an acyclic nucleoside phosphonate | Descriptor: | (2-{[(2S)-1-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-3-hydroxypropan-2-yl]oxy}ethyl)phosphonic acid, Hypoxanthine-guanine phosphoribosyltransferase, MAGNESIUM ION | Authors: | Keough, D.T, Guddat, L.W, Kaiser, M.M, Hockova, D, Wang, T.-H, Janeba, Z. | Deposit date: | 2015-06-02 | Release date: | 2015-09-23 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.61 Å) | Cite: | Synthesis and Evaluation of Novel Acyclic Nucleoside Phosphonates as Inhibitors of Plasmodium falciparum and Human 6-Oxopurine Phosphoribosyltransferases. Chemmedchem, 10, 2015
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6EN5
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![BU of 6en5 by Molmil](/molmil-images/mine/6en5) | Crystal structure A of the Angiotensin-1 converting enzyme N-domain in complex with a diprolyl inhibitor. | Descriptor: | (2~{S})-1-[(2~{S})-2-[[(1~{S})-1-[(2~{S})-1-[(2~{S})-2-azanyl-4-oxidanyl-4-oxidanylidene-butanoyl]pyrrolidin-2-yl]-2-oxidanyl-2-oxidanylidene-ethyl]amino]propanoyl]pyrrolidine-2-carboxylic acid, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Cozier, G.E, Acharya, K.R, Fienberg, S, Chibale, K, Sturrock, E.D. | Deposit date: | 2017-10-04 | Release date: | 2017-12-20 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | The Design and Development of a Potent and Selective Novel Diprolyl Derivative That Binds to the N-Domain of Angiotensin-I Converting Enzyme. J. Med. Chem., 61, 2018
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2YFJ
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![BU of 2yfj by Molmil](/molmil-images/mine/2yfj) | Crystal structure of Biphenyl dioxygenase variant RR41 with dibenzofuran | Descriptor: | BIPHENYL DIOXYGENASE SUBUNIT ALPHA, BIPHENYL DIOXYGENASE SUBUNIT BETA, DIBENZOFURAN, ... | Authors: | Kumar, P, Sylvestre, M, Bolin, J.T. | Deposit date: | 2011-04-06 | Release date: | 2011-06-08 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Retuning Rieske-Type Oxygenases to Expand Substrate Range. J.Biol.Chem., 286, 2011
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6E6E
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![BU of 6e6e by Molmil](/molmil-images/mine/6e6e) | DGY-06-116, a novel and selective covalent inhibitor of SRC kinase | Descriptor: | N-(2-chloro-6-methylphenyl)-2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-4-{[2-(propanoylamino)phenyl]amino}pyrimidine-5-carboxamide, Proto-oncogene tyrosine-protein kinase Src | Authors: | Gurbani, D, Bera, A, Westover, K. | Deposit date: | 2018-07-24 | Release date: | 2019-07-31 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Structure and Characterization of a Covalent Inhibitor of Src Kinase. Front Mol Biosci, 7, 2020
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6EBB
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5M0R
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![BU of 5m0r by Molmil](/molmil-images/mine/5m0r) | Cryo-EM reconstruction of the maedi-visna virus (MVV) strand transfer complex | Descriptor: | integrase, tDNA, vDNA, ... | Authors: | Pye, V.E, Ballandras-Colas, A, Maskell, D, Locke, J, Kotecha, A, Costa, A, Cherepanov, P. | Deposit date: | 2016-10-05 | Release date: | 2017-01-18 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (8.2 Å) | Cite: | A supramolecular assembly mediates lentiviral DNA integration. Science, 355, 2017
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