4YPH
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![BU of 4yph by Molmil](/molmil-images/mine/4yph) | Crystal Structure of MutY bound to its anti-substrate with the disulfide cross-linker reduced | Descriptor: | A/G-specific adenine glycosylase, DNA (5'-D(*AP*AP*GP*AP*CP*(8OG)P*TP*GP*GP*AP*C)-3'), DNA (5'-D(TP*GP*TP*CP*CP*AP*CP*GP*TP*CP*T)-3'), ... | Authors: | Wang, L, Lee, S, Verdine, G.L. | Deposit date: | 2015-03-12 | Release date: | 2015-05-27 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.32 Å) | Cite: | Structural Basis for Avoidance of Promutagenic DNA Repair by MutY Adenine DNA Glycosylase. J.Biol.Chem., 290, 2015
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4RJD
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![BU of 4rjd by Molmil](/molmil-images/mine/4rjd) | TFP bound in alternate orientations to calcium-saturated Calmodulin C-Domains | Descriptor: | 10-[3-(4-METHYL-PIPERAZIN-1-YL)-PROPYL]-2-TRIFLUOROMETHYL-10H-PHENOTHIAZINE, CALCIUM ION, CHLORIDE ION, ... | Authors: | Feldkamp, M.D, Gakhar, L, Pandey, N, Shea, M.A. | Deposit date: | 2014-10-08 | Release date: | 2015-08-26 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Opposing orientations of the anti-psychotic drug trifluoperazine selected by alternate conformations of M144 in calmodulin. Proteins, 83, 2015
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7AX0
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![BU of 7ax0 by Molmil](/molmil-images/mine/7ax0) | Crystal structure of the computationally designed Scone-E protein co-crystallized with STA form a | Descriptor: | Keggin (STA), PHOSPHATE ION, SconeE | Authors: | Mylemans, B, Vandebroek, L, Parac-Vogt, T.N, Voet, A.R.D. | Deposit date: | 2020-11-09 | Release date: | 2021-06-30 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal structures of Scone: pseudosymmetric folding of a symmetric designer protein. Acta Crystallogr D Struct Biol, 77, 2021
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4YO5
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![BU of 4yo5 by Molmil](/molmil-images/mine/4yo5) | EAEC T6SS TssA-Cterminus | Descriptor: | TssA | Authors: | Durand, E, Zoued, A, Spinelli, S, Douzi, B, Brunet, Y.R, Bebeacua, C, Legrand, P, Journet, L, Mignot, T, Cambillau, C, Cascales, E. | Deposit date: | 2015-03-11 | Release date: | 2016-02-17 | Last modified: | 2017-06-14 | Method: | X-RAY DIFFRACTION (3.35 Å) | Cite: | Priming and polymerization of a bacterial contractile tail structure. Nature, 531, 2016
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2E03
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![BU of 2e03 by Molmil](/molmil-images/mine/2e03) | |
7AEG
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![BU of 7aeg by Molmil](/molmil-images/mine/7aeg) | SARS-CoV-2 main protease in a covalent complex with SDZ 224015 derivative, compound 5 | Descriptor: | 3C-like proteinase, DIMETHYL SULFOXIDE, N-[(benzyloxy)carbonyl]-L-valyl-N-[(1S)-1-(carboxymethyl)-3-fluoro-2-oxopropyl]-L-alaninamide | Authors: | Owen, C.D, Redhead, M.A, Lukacik, P, Strain-Damerell, C, Fearon, D, Brewitz, L, Collette, A, Robinson, C, Collins, P, Radoux, C, Navratilova, I, Douangamath, A, von Delft, F, Malla, T.R, Nugen, T, Hull, H, Tumber, A, Schofield, C.J, Hallet, D, Stuart, D.I, Hopkins, A.L, Walsh, M.A. | Deposit date: | 2020-09-17 | Release date: | 2021-07-07 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Bispecific repurposed medicines targeting the viral and immunological arms of COVID-19. Sci Rep, 11, 2021
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4YOZ
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![BU of 4yoz by Molmil](/molmil-images/mine/4yoz) | p107 pocket domain in complex with HPV E7 peptide | Descriptor: | HPV E7 peptide, Retinoblastoma-like protein 1,Retinoblastoma-like protein 1, SULFATE ION | Authors: | Liban, T.J, Guiley, K.Z, Felthousen, J.G, Ramanan, P, Litovchick, L, Rubin, S.M. | Deposit date: | 2015-03-12 | Release date: | 2015-06-24 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.245 Å) | Cite: | Structural mechanisms of DREAM complex assembly and regulation. Genes Dev., 29, 2015
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4RIY
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![BU of 4riy by Molmil](/molmil-images/mine/4riy) | Crystal structure of an EGFR/HER3 kinase domain heterodimer containing the cancer-associated HER3-E909G mutation | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Epidermal growth factor receptor, MAGNESIUM ION, ... | Authors: | Littlefield, P, Liu, L, Jura, N. | Deposit date: | 2014-10-07 | Release date: | 2014-12-10 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.981 Å) | Cite: | Structural analysis of the EGFR/HER3 heterodimer reveals the molecular basis for activating HER3 mutations. Sci.Signal., 7, 2014
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4RIX
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![BU of 4rix by Molmil](/molmil-images/mine/4rix) | Crystal structure of an EGFR/HER3 kinase domain heterodimer containing the cancer-associated HER3-Q790R mutation | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Epidermal growth factor receptor, MAGNESIUM ION, ... | Authors: | Littlefield, P, Liu, L, Jura, N. | Deposit date: | 2014-10-07 | Release date: | 2014-12-10 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Structural analysis of the EGFR/HER3 heterodimer reveals the molecular basis for activating HER3 mutations. Sci.Signal., 7, 2014
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5JHM
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4RKM
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![BU of 4rkm by Molmil](/molmil-images/mine/4rkm) | Wolinella succinogenes octaheme sulfite reductase MccA, form I | Descriptor: | (R,R)-2,3-BUTANEDIOL, ACETATE ION, COPPER (I) ION, ... | Authors: | Hermann, B, Kern, M, La Pietra, L, Simon, J, Einsle, O. | Deposit date: | 2014-10-13 | Release date: | 2015-02-04 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | The octahaem MccA is a haem c-copper sulfite reductase. Nature, 520, 2015
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4RLM
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![BU of 4rlm by Molmil](/molmil-images/mine/4rlm) | Hen egg-white lysozyme solved from serial crystallography at a synchrotron source, data processed with CrystFEL | Descriptor: | Lysozyme C | Authors: | Botha, S, Nass, K, Barends, T, Kabsch, W, Latz, B, Dworkowski, F, Foucar, L, Panepucci, E, Wang, M, Shoeman, R, Schlichting, I, Doak, R.B. | Deposit date: | 2014-10-17 | Release date: | 2015-02-25 | Last modified: | 2017-11-22 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Room-temperature serial crystallography at synchrotron X-ray sources using slowly flowing free-standing high-viscosity microstreams. Acta Crystallogr.,Sect.D, 71, 2015
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5JLX
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![BU of 5jlx by Molmil](/molmil-images/mine/5jlx) | AntpHD with 15bp DNA duplex S-monothioated at Cytidine-8 | Descriptor: | DNA (5'-D(*AP*GP*AP*AP*AP*GP*CP*(C7S)P*AP*TP*TP*AP*GP*AP*G)-3'), DNA (5'-D(*TP*CP*TP*CP*TP*AP*AP*TP*GP*GP*CP*TP*TP*TP*C)-3'), Homeotic protein antennapedia, ... | Authors: | White, M.A, Zandarashvili, L, Iwahara, J, Nguyen, D. | Deposit date: | 2016-04-27 | Release date: | 2016-06-22 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.748 Å) | Cite: | Stereospecific Effects of Oxygen-to-Sulfur Substitution in DNA Phosphate on Ion Pair Dynamics and Protein-DNA Affinity. Chembiochem, 17, 2016
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1CSJ
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![BU of 1csj by Molmil](/molmil-images/mine/1csj) | CRYSTAL STRUCTURE OF THE RNA-DEPENDENT RNA POLYMERASE OF HEPATITIS C VIRUS | Descriptor: | HEPATITIS C VIRUS RNA POLYMERASE (NS5B) | Authors: | Bressanelli, S, Tomei, L, Roussel, A, Incitti, I, Vitale, R.L, Mathieu, M, De Francesco, R, Rey, F.A. | Deposit date: | 1999-08-18 | Release date: | 1999-11-08 | Last modified: | 2013-02-13 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Crystal structure of the RNA-dependent RNA polymerase of hepatitis C virus. Proc.Natl.Acad.Sci.USA, 96, 1999
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4RW2
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![BU of 4rw2 by Molmil](/molmil-images/mine/4rw2) | Hen egg-white lysozyme structure from a spent-beam experiment at LCLS: refocused beam | Descriptor: | CHLORIDE ION, Lysozyme C, SODIUM ION | Authors: | Boutet, S, Foucar, L, Barends, T, Doak, R.B, Koglin, J.E, Messerschmidt, M, Nass, K, Schlichting, I, Shoeman, R, Williams, G.J. | Deposit date: | 2014-12-01 | Release date: | 2015-05-20 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Characterization and use of the spent beam for serial operation of LCLS. J.SYNCHROTRON RADIAT., 22, 2015
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5JHE
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4RS2
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![BU of 4rs2 by Molmil](/molmil-images/mine/4rs2) | 1.55 Angstrom Crystal Structure of GNAT Family N-acetyltransferase (YhbS) from Escherichia coli in Complex with CoA | Descriptor: | COENZYME A, Predicted acyltransferase with acyl-CoA N-acyltransferase domain | Authors: | Minasov, G, Wawrzak, Z, Kuhn, M, Shuvalova, L, Dubrovska, I, Flores, K, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2014-11-06 | Release date: | 2014-11-19 | Last modified: | 2017-11-22 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | 1.55 Angstrom Crystal Structure of GNAT Family N-acetyltransferase (YhbS) from Escherichia coli in Complex with CoA. TO BE PUBLISHED
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2OBQ
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![BU of 2obq by Molmil](/molmil-images/mine/2obq) | Discovery of the HCV NS3/4A Protease Inhibitor SCH503034. Key Steps in Structure-Based Optimization | Descriptor: | Hepatitis C virus, ZINC ION | Authors: | Prongay, A.J, Guo, Z, Yao, N, Fischmann, T, Strickland, C, Myers Jr, J, Weber, P.C, Malcolm, B, Beyer, B.M, Ingram, R, Pichardo, J, Hong, Z, Prosise, W.W, Ramanathan, L, Taremi, S.S, Yarosh-Tomaine, T, Zhang, R, Senior, M, Yang, R, Arasappan, A, Bennett, F, Bogen, S.F, Chen, K, Jao, E, Liu, Y, Love, R.G, Saksena, A.K, Venkatraman, S, Girijavallabhan, V, Njoroge, F.G, Madison, V. | Deposit date: | 2006-12-19 | Release date: | 2007-07-31 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Discovery of the HCV NS3/4A protease inhibitor (1R,5S)-N-[3-amino-1-(cyclobutylmethyl)-2,3-dioxopropyl]-3- [2(S)-[[[(1,1-dimethylethyl)amino]carbonyl]amino]-3,3-dimethyl-1-oxobutyl]- 6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2(S)-carboxamide (Sch 503034) II. Key steps in structure-based optimization. J.Med.Chem., 50, 2007
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5JAE
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![BU of 5jae by Molmil](/molmil-images/mine/5jae) | LeuT in the outward-oriented, Na+-free return state, P21 form at pH 6.5 | Descriptor: | Transporter, octyl beta-D-glucopyranoside | Authors: | Malinauskaite, L, Sahin, C, Said, S, Grouleff, J, Shahsavar, A, Bjerregaard, H, Noer, P, Severinsen, K, Boesen, T, Schiott, B, Sinning, S, Nissen, P. | Deposit date: | 2016-04-12 | Release date: | 2016-06-01 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | A conserved leucine occupies the empty substrate site of LeuT in the Na(+)-free return state. Nat Commun, 7, 2016
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2EIA
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4RUQ
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![BU of 4ruq by Molmil](/molmil-images/mine/4ruq) | Carp Fishelectin, apo form | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Fish-egg lectin, ... | Authors: | Capaldi, S, Faggion, B, Carrizo, M.E, Destefanis, L, Gonzalez, M.C, Perduca, M, Bovi, M, Galliano, M, Monaco, H.L. | Deposit date: | 2014-11-21 | Release date: | 2015-04-08 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Three-dimensional structure and ligand-binding site of carp fishelectin (FEL). Acta Crystallogr.,Sect.D, 71, 2015
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4RVA
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![BU of 4rva by Molmil](/molmil-images/mine/4rva) | A triple mutant in the omega-loop of TEM-1 beta-lactamase changes the substrate profile via a large conformational change and an altered general base for deacylation | Descriptor: | BICARBONATE ION, Beta-lactamase TEM | Authors: | Stojanoski, V, Chow, D.-C, Hu, L, Sankaran, B, Gilbert, H, Prasad, B.V.V, Palzkill, T. | Deposit date: | 2014-11-25 | Release date: | 2015-03-04 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.4397 Å) | Cite: | A Triple Mutant in the Omega-loop of TEM-1 beta-Lactamase Changes the Substrate Profile via a Large Conformational Change and an Altered General Base for Catalysis. J.Biol.Chem., 290, 2015
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4RVP
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![BU of 4rvp by Molmil](/molmil-images/mine/4rvp) | Crystal structure of superoxide dismutase from sedum alfredii | Descriptor: | ZINC ION, superoxide dismutase | Authors: | Qiu, R, Li, C, Zhai, J, Tang, L, Zhang, H, Yuan, M, Hu, X. | Deposit date: | 2014-11-27 | Release date: | 2015-12-16 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | The positive effects of Cd and Cd-Zn relationship in the
Zn-related physiological processes involved in growth in the Zn/Cd hyperaccumulator Sedum alfredii To be Published
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4RXG
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![BU of 4rxg by Molmil](/molmil-images/mine/4rxg) | Fructose-6-phosphate aldolase Q59E from E.coli | Descriptor: | Fructose-6-phosphate aldolase 1, GLYCEROL, PENTAETHYLENE GLYCOL | Authors: | Stellmacher, L, Sandalova, T, Leptihn, S, Schneider, G, Sprenger, G.A, Samland, A.K. | Deposit date: | 2014-12-11 | Release date: | 2015-10-07 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.154 Å) | Cite: | Acid Base Catalyst Discriminates between a Fructose 6-Phosphate Aldolase and a Transaldolase ChemCatChem, 2015
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2C4Y
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![BU of 2c4y by Molmil](/molmil-images/mine/2c4y) | MS2-RNA HAIRPIN (2THIOURACIL-5) COMPLEX | Descriptor: | 5'-R(*AP*CP*AP*UP*GP*AP*GP*GP*AP*UP *SUR*AP*CP*CP*CP*AP*UP*GP*U)-3', Capsid protein | Authors: | Grahn, E, Moss, T, Helgstrand, C, Fridborg, K, Sundaram, M, Tars, K, Lago, H, Stonehouse, N.J, Davis, D.R, Stockley, P.G, Liljas, L. | Deposit date: | 2005-10-25 | Release date: | 2006-01-05 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.68 Å) | Cite: | Structural basis of pyrimidine specificity in the MS2 RNA hairpin-coat-protein complex. Rna, 7, 2001
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