4ITD
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![BU of 4itd by Molmil](/molmil-images/mine/4itd) | Structures of DNA duplexes containing O6-carboxymethylguanine, a lesion associated with gastrointestinal cancer, reveal a mechanism for inducing transition mutation | Descriptor: | 2'-(4-HYDROXYPHENYL)-5-(4-METHYL-1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE, DNA (5'-D(*CP*GP*CP*GP*(C6G)P*AP*TP*TP*CP*GP*CP*G)-3'), MAGNESIUM ION | Authors: | Zhang, F, Suzuki, K, Tsunoda, M, Wilkinson, O, Millington, C.L, Williams, D.M, Morishita, E.C, Takenaka, A. | Deposit date: | 2013-01-18 | Release date: | 2013-05-08 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Structures of DNA duplexes containing O6-carboxymethylguanine, a lesion associated with gastrointestinal cancer, reveal a mechanism for inducing pyrimidine transition mutations Nucleic Acids Res., 41, 2013
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4JUY
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![BU of 4juy by Molmil](/molmil-images/mine/4juy) | Crystal structure of the PUB domain of E3 ubiquitin ligase RNF31 | Descriptor: | E3 ubiquitin-protein ligase RNF31, UNKNOWN ATOM OR ION | Authors: | Dong, A, Hu, J, Li, Y, Wernimont, A, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Tong, Y, Structural Genomics Consortium (SGC) | Deposit date: | 2013-03-25 | Release date: | 2013-04-10 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal structure of the PUB domain of E3 ubiquitin ligase RNF31 To be Published
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4JUO
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![BU of 4juo by Molmil](/molmil-images/mine/4juo) | A low-resolution three-gate structure of topoisomerase IV from Streptococcus pneumoniae in space group H32 | Descriptor: | (3S)-9-fluoro-3-methyl-10-(4-methylpiperazin-1-yl)-7-oxo-2,3-dihydro-7H-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylic acid, DNA topoisomerase 4 subunit A, DNA topoisomerase 4 subunit B, ... | Authors: | Laponogov, I, Veselkov, D.A, Pan, X.-S, Crevel, I, Fisher, L.M, Sanderson, M.R. | Deposit date: | 2013-03-25 | Release date: | 2013-08-28 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (6.53 Å) | Cite: | Structure of an 'open' clamp type II topoisomerase-DNA complex provides a mechanism for DNA capture and transport. Nucleic Acids Res., 41, 2013
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4J7T
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![BU of 4j7t by Molmil](/molmil-images/mine/4j7t) | Human LTC4 synthase in complex with product analogs - implications for enzyme catalysis | Descriptor: | D-gamma-glutamyl-S-(4-phenylbutyl)-L-cysteinylglycine, Leukotriene C4 synthase, NICKEL (II) ION, ... | Authors: | Niegowski, D, Rinaldo-Matthis, A, Haeggstrom, J.Z. | Deposit date: | 2013-02-14 | Release date: | 2014-01-01 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (3.203 Å) | Cite: | Crystal Structures of Leukotriene C4 Synthase in Complex with Product Analogs: IMPLICATIONS FOR THE ENZYME MECHANISM. J.Biol.Chem., 289, 2014
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4JC3
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4JHC
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![BU of 4jhc by Molmil](/molmil-images/mine/4jhc) | Crystal structure of the uncharacterized Maf protein YceF from E. coli | Descriptor: | GLYCEROL, Maf-like protein YceF, UNKNOWN ATOM OR ION | Authors: | Dong, A, Xu, X, Cui, H, Tchigvintsev, A, Flick, R, Brown, G, Popovic, A, Yakunin, A.F, Savchenko, A. | Deposit date: | 2013-03-04 | Release date: | 2013-03-20 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Biochemical and structural studies of conserved maf proteins revealed nucleotide pyrophosphatases with a preference for modified nucleotides. Chem.Biol., 20, 2013
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4JAZ
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![BU of 4jaz by Molmil](/molmil-images/mine/4jaz) | Crystal structure of the complex between PPARgamma LBD and trans-resveratrol | Descriptor: | Peroxisome proliferator-activated receptor gamma, RESVERATROL | Authors: | Pochetti, G, Capelli, D, Montanari, R, Calleri, E, Moaddel, R, Temporini, C. | Deposit date: | 2013-02-19 | Release date: | 2014-02-12 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Resveratrol and Its Metabolites Bind to PPARs. Chembiochem, 15, 2014
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4JPC
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![BU of 4jpc by Molmil](/molmil-images/mine/4jpc) | Spirocyclic Beta-Site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) Inhibitors | Descriptor: | 3-[(4R)-2'-amino-1',2,2-trimethyl-5'-oxo-1',2,3,5'-tetrahydrospiro[chromene-4,4'-imidazol]-6-yl]benzonitrile, Beta-secretase 1, NICKEL (II) ION | Authors: | Vigers, G.P.A, Smith, D. | Deposit date: | 2013-03-19 | Release date: | 2013-04-10 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Spirocyclic beta-site amyloid precursor protein cleaving enzyme 1 (BACE1) inhibitors: from hit to lowering of cerebrospinal fluid (CSF) amyloid beta in a higher species. J.Med.Chem., 56, 2013
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4J71
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![BU of 4j71 by Molmil](/molmil-images/mine/4j71) | Crystal Structure of GSK3b in complex with inhibitor 1R | Descriptor: | (2R)-2-methyl-1,4-dihydropyrido[2,3-b]pyrazin-3(2H)-one, CHLORIDE ION, Glycogen synthase kinase-3 beta, ... | Authors: | Zhan, C, Wang, Y, Wach, J, Sheehan, P, Zhong, C, Harris, R, Patskovsky, Y, Bishop, J, Haggarty, S, Ramek, A, Berry, K, O'Herin, C, Koehler, A.N, Hung, A.W, Young, D.W, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC) | Deposit date: | 2013-02-12 | Release date: | 2013-03-20 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.31 Å) | Cite: | Fragment-based approach using diversity-oriented synthesis yields a GSK3b inhibitor To be Published
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4JQ0
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![BU of 4jq0 by Molmil](/molmil-images/mine/4jq0) | Voltage-gated sodium channel 1.5 C-terminal domain in complex with FGF12B and Ca2+/calmodulin | Descriptor: | CALCIUM ION, Calmodulin, Fibroblast growth factor 12, ... | Authors: | Wang, C, Chung, B.C, Yan, H, Wang, H.G, Lee, S.Y, Pitt, G.S. | Deposit date: | 2013-03-19 | Release date: | 2014-05-21 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (3.84 Å) | Cite: | Structural analyses of Ca(2+)/CaM interaction with NaV channel C-termini reveal mechanisms of calcium-dependent regulation. Nat Commun, 5, 2014
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4JT3
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![BU of 4jt3 by Molmil](/molmil-images/mine/4jt3) | Crystal Structure of TTK kinase domain with an inhibitor: 400740 | Descriptor: | 1,2-ETHANEDIOL, 2-phenyl-N-[3-(3-sulfamoylphenyl)-2H-indazol-5-yl]acetamide, Dual specificity protein kinase TTK, ... | Authors: | Qiu, W, Harris-Brandts, M, Feher, M, Awrey, D.E, Chirgadze, N.Y. | Deposit date: | 2013-03-22 | Release date: | 2014-03-26 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal Structure of TTK kinase domain with an inhibitor: 400740 To be Published
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4JW2
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![BU of 4jw2 by Molmil](/molmil-images/mine/4jw2) | Selection of specific protein binders for pre-defined targets from an optimized library of artificial helicoidal repeat proteins (alphaRep) | Descriptor: | 1,2-ETHANEDIOL, A3 artificial protein, bA3-2: binder of A3 protein | Authors: | Guellouz, A, Valerio-Lepiniec, M, Urvoas, A, Chevrel, A, Graille, M, Fourati-Kammoun, Z, Desmadril, M, van Tilbeurgh, H, Minard, P. | Deposit date: | 2013-03-27 | Release date: | 2013-09-25 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Selection of Specific Protein Binders for Pre-Defined Targets from an Optimized Library of Artificial Helicoidal Repeat Proteins (alphaRep). Plos One, 8, 2013
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4JWG
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![BU of 4jwg by Molmil](/molmil-images/mine/4jwg) | Crystal structure of spTrm10(74) | Descriptor: | ACETIC ACID, tRNA (guanine(9)-N1)-methyltransferase | Authors: | Yan, W, Shao, Z. | Deposit date: | 2013-03-27 | Release date: | 2013-10-16 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal structure of tRNA m1G9 methyltransferase Trm10: insight into the catalytic mechanism and recognition of tRNA substrate. Nucleic Acids Res., 42, 2014
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4J90
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4JDK
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4K1C
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![BU of 4k1c by Molmil](/molmil-images/mine/4k1c) | VCX1 Calcium/Proton Exchanger | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, CALCIUM ION, IODIDE ION, ... | Authors: | Waight, A.B, Pedersen, B.P, Stroud, R.M, Center for Structures of Membrane Proteins (CSMP) | Deposit date: | 2013-04-04 | Release date: | 2013-05-08 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural basis for alternating access of a eukaryotic calcium/proton exchanger. Nature, 499, 2013
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4JZC
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![BU of 4jzc by Molmil](/molmil-images/mine/4jzc) | Angiopoietin-2 fibrinogen domain TAG mutant | Descriptor: | Angiopoietin-2 | Authors: | Yu, X, Seegar, T.C.M, Dalton, A.C, Tzvetkova-Robev, D, Goldgur, Y, Nikolov, D.B, Barton, W.A. | Deposit date: | 2013-04-02 | Release date: | 2013-05-08 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural basis for angiopoietin-1-mediated signaling initiation. Proc.Natl.Acad.Sci.USA, 110, 2013
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4K0E
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![BU of 4k0e by Molmil](/molmil-images/mine/4k0e) | X-ray crystal structure of a heavy metal efflux pump, crystal form II | Descriptor: | Heavy metal cation tricomponent efflux pump ZneA(CzcA-like), ZINC ION | Authors: | Pak, J.E, Ngonlong Ekende, E, Vandenbussche, G, Stroud, R.M, Center for Structures of Membrane Proteins (CSMP) | Deposit date: | 2013-04-03 | Release date: | 2013-10-16 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (3.713 Å) | Cite: | Structures of intermediate transport states of ZneA, a Zn(II)/proton antiporter. Proc.Natl.Acad.Sci.USA, 110, 2013
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4JZP
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![BU of 4jzp by Molmil](/molmil-images/mine/4jzp) | Crystal structure of BAP31 vDED at acidic pH | Descriptor: | B-cell receptor-associated protein 31, SULFATE ION, TETRAETHYLENE GLYCOL | Authors: | Quistgaard, E.M, Low, C, Moberg, P, Guettou, F, Maddi, K, Nordlund, P. | Deposit date: | 2013-04-03 | Release date: | 2013-09-25 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural and Biophysical Characterization of the Cytoplasmic Domains of Human BAP29 and BAP31. Plos One, 8, 2013
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4K8Z
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![BU of 4k8z by Molmil](/molmil-images/mine/4k8z) | KOD Polymerase in binary complex with dsDNA | Descriptor: | 1,2-ETHANEDIOL, COBALT HEXAMMINE(III), DNA (5'-D(*AP*AP*AP*TP*TP*CP*GP*CP*AP*GP*TP*TP*CP*GP*CP*G)-3'), ... | Authors: | Bergen, K, Betz, K, Welte, W, Diederichs, K, Marx, A. | Deposit date: | 2013-04-19 | Release date: | 2013-06-26 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.29 Å) | Cite: | Structures of KOD and 9N DNA Polymerases Complexed with Primer Template Duplex Chembiochem, 14, 2013
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4KG4
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4KIE
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4KGF
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![BU of 4kgf by Molmil](/molmil-images/mine/4kgf) | Crystal structure of near-infrared fluorescent protein with an extended stokes shift, ph 8.0 | Descriptor: | CHLORIDE ION, TagRFP675, red fluorescent protein | Authors: | Malashkevich, V.N, Piatkevich, K, Almo, S.C, Verkhusha, V, New York Structural Genomics Research Consortium (NYSGRC) | Deposit date: | 2013-04-29 | Release date: | 2013-05-08 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Extended Stokes shift in fluorescent proteins: chromophore-protein interactions in a near-infrared TagRFP675 variant. Sci Rep, 3, 2013
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4KOE
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![BU of 4koe by Molmil](/molmil-images/mine/4koe) | Quinolone(Trovafloxacin)-DNA cleavage complex of type IV topoisomerase from S. pneumoniae | Descriptor: | DNA topoisomerase 4 subunit A, DNA topoisomerase 4 subunit B, E-site DNA1, ... | Authors: | Laponogov, I, Pan, X.-S, Veselkov, D.A, Fisher, L.M, Sanderson, M.R. | Deposit date: | 2013-05-11 | Release date: | 2014-11-26 | Last modified: | 2017-11-15 | Method: | X-RAY DIFFRACTION (3.02 Å) | Cite: | Inhibitor-stabilised cleavage complexes of topoisomerase IIa: structural analysis of drug-dependent inter- and intramolecular interactions To be Published
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4KPF
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![BU of 4kpf by Molmil](/molmil-images/mine/4kpf) | Novel fluoroquinolones in complex with topoisomerase IV from S. pneumoniae and E-site G-gate | Descriptor: | (3aS,4R)-4-amino-13-cyclopropyl-8-fluoro-10-oxo-3a,4,5,6,10,13-hexahydro-1H,3H-pyrrolo[2',1':3,4][1,4]oxazepino[5,6-h]quinoline-11-carboxylic acid, E-site1, E-site2, ... | Authors: | Laponogov, I, Pan, X.-S, Vesekov, D.A, Cirz, R.T, Wagman, A.S, Moser, H.E, Fisher, L.M, Sanderson, M.R. | Deposit date: | 2013-05-13 | Release date: | 2014-11-26 | Last modified: | 2018-10-03 | Method: | X-RAY DIFFRACTION (3.24 Å) | Cite: | Exploring the active site of the Streptococcus pneumoniae topoisomerase IV-DNA cleavage complex with novel 7,8-bridged fluoroquinolones. Open Biol, 6, 2016
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