4UQS
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4UXN
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![BU of 4uxn by Molmil](/molmil-images/mine/4uxn) | LSD1(KDM1A)-CoREST in complex with Z-Pro derivative of MC2580 | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, LYSINE-SPECIFIC HISTONE DEMETHYLASE 1A, REST COREPRESSOR 1, ... | Authors: | Rodriguez, V, Valente, S, Stazi, G, Lucidi, A, Mercurio, C, Vianello, P, Ciossani, G, Mattevi, A, Botrugno, O.A, Dessanti, P, Minucci, S, Varasi, M, Mai, A. | Deposit date: | 2014-08-27 | Release date: | 2015-02-25 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Pyrrole- and Indole-Containing Tranylcypromine Derivatives as Novel Lysine-Specific Demethylase 1 Inhibitors Active on Cancer Cells Chemmedchem, 6, 2015
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4UYU
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4UQX
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![BU of 4uqx by Molmil](/molmil-images/mine/4uqx) | Coevolution of the ATPase ClpV, the TssB-TssC Sheath and the Accessory HsiE Protein Distinguishes Two Type VI Secretion Classes | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, HSIE1 | Authors: | Forster, A, Planamente, S, Manoli, E, Lossi, N.S, Freemont, P.S, Filloux, A. | Deposit date: | 2014-06-25 | Release date: | 2014-10-22 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Coevolution of the ATPase Clpv, the Sheath Proteins Tssb and Tssc and the Accessory Protein Tagj/Hsie1 Distinguishes Type Vi Secretion Classes. J.Biol.Chem., 289, 2014
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4UT5
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![BU of 4ut5 by Molmil](/molmil-images/mine/4ut5) | Crystal structure of the LecB lectin from Pseudomonas aeruginosa strain PA7 in complex with lewis a tetrasaccharide | Descriptor: | CALCIUM ION, LECB LECTIN, beta-D-galactopyranose, ... | Authors: | Boukerb, A.M, Decor, A, Tabaroni, R, Varrot, A, Debentzmann, S, Vidal, S, Imberty, A, Cournoyer, B. | Deposit date: | 2014-07-18 | Release date: | 2015-07-22 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Genomic Rearrangements and Functional Diversification of Leca and Lecb Lectin-Coding Regions Impacting the Efficacy of Glycomimetics Directed Against Pseudomonas Aeruginosa. Front.Microbiol., 7, 2016
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4LEA
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![BU of 4lea by Molmil](/molmil-images/mine/4lea) | The Crystal Structure of Pyocin L1 bound to D-mannose at 2.55 Angstroms | Descriptor: | Pyocin L1, beta-D-mannopyranose | Authors: | Grinter, R, Roszak, A.W, Mccaughey, L, Cogdell, C.J, Walker, D. | Deposit date: | 2013-06-25 | Release date: | 2014-02-19 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Lectin-Like Bacteriocins from Pseudomonas spp. Utilise D-Rhamnose Containing Lipopolysaccharide as a Cellular Receptor. Plos Pathog., 10, 2014
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4V0N
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4LH8
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![BU of 4lh8 by Molmil](/molmil-images/mine/4lh8) | Triazine hydrolase from Arthobacter aurescens modified for maximum expression in E.coli | Descriptor: | Triazine hydrolase, ZINC ION | Authors: | Jackson, C.J, Coppin, C.W, Alexandrov, A, Wilding, M, Liu, J.-W, Ubels, J, Paks, M, Carr, P.D, Newman, J, Russell, R.J, Field, M, Weik, M, Oakeshott, J.G, Scott, C. | Deposit date: | 2013-07-01 | Release date: | 2014-05-21 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | 300-Fold increase in production of the Zn2+-dependent dechlorinase TrzN in soluble form via apoenzyme stabilization. Appl.Environ.Microbiol., 80, 2014
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3WLU
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![BU of 3wlu by Molmil](/molmil-images/mine/3wlu) | Crystal Structure of human galectin-9 NCRD with Selenolactose | Descriptor: | 2-(trimethylsilyl)ethyl 4-O-beta-D-galactopyranosyl-6-Se-methyl-6-seleno-beta-D-glucopyranoside, Galectin-9 | Authors: | Makyio, H, Suzuki, T, Ando, H, Yamada, Y, Ishida, H, Kiso, M, Wakatsuki, S, Kato, R. | Deposit date: | 2013-11-14 | Release date: | 2014-11-05 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Expanded potential of seleno-carbohydrates as a molecular tool for X-ray structural determination of a carbohydrate-protein complex with single/multi-wavelength anomalous dispersion phasing Bioorg.Med.Chem., 22, 2014
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4LE7
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![BU of 4le7 by Molmil](/molmil-images/mine/4le7) | The Crystal Structure of Pyocin L1 at 2.09 Angstroms | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Pyocin L1 | Authors: | Grinter, R, Roszak, A.W, Mccaughey, L, Cogdell, R.J, Walker, D. | Deposit date: | 2013-06-25 | Release date: | 2014-02-19 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | Lectin-Like Bacteriocins from Pseudomonas spp. Utilise D-Rhamnose Containing Lipopolysaccharide as a Cellular Receptor. Plos Pathog., 10, 2014
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3W3Z
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![BU of 3w3z by Molmil](/molmil-images/mine/3w3z) | Crystal structure of Kap121p bound to RanGTP | Descriptor: | GTP-binding nuclear protein Ran, GUANOSINE-5'-TRIPHOSPHATE, Importin subunit beta-3, ... | Authors: | Kobayashi, J, Matsuura, Y. | Deposit date: | 2012-12-28 | Release date: | 2013-04-10 | Last modified: | 2014-01-29 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structural basis for cell-cycle-dependent nuclear import mediated by the karyopherin Kap121p. J.Mol.Biol., 425, 2013
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4LND
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![BU of 4lnd by Molmil](/molmil-images/mine/4lnd) | Crystal structure of human apurinic/apyrimidinic endonuclease 1 with essential Mg2+ cofactor | Descriptor: | DNA-(apurinic or apyrimidinic site) lyase, MAGNESIUM ION | Authors: | Manvilla, B.A, Pozharski, E, Toth, E.A, Drohat, A.C. | Deposit date: | 2013-07-11 | Release date: | 2013-11-27 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | Structure of human apurinic/apyrimidinic endonuclease 1 with the essential Mg(2+) cofactor. Acta Crystallogr.,Sect.D, 69, 2013
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3W3U
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5TQH
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![BU of 5tqh by Molmil](/molmil-images/mine/5tqh) | IDH1 R132H mutant in complex with IDH889 | Descriptor: | (4S)-3-[2-({(1S)-1-[5-(4-fluoro-3-methylphenyl)pyrimidin-2-yl]ethyl}amino)pyrimidin-4-yl]-4-(propan-2-yl)-1,3-oxazolidin-2-one, CITRATE ANION, Isocitrate dehydrogenase [NADP] cytoplasmic, ... | Authors: | Xie, X, Kulathila, R. | Deposit date: | 2016-10-24 | Release date: | 2017-01-25 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Optimization of 3-Pyrimidin-4-yl-oxazolidin-2-ones as Allosteric and Mutant Specific Inhibitors of IDH1. ACS Med Chem Lett, 8, 2017
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5UFJ
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![BU of 5ufj by Molmil](/molmil-images/mine/5ufj) | Crystal Structure of Carbonmonoxy Hemoglobin S (Liganded Sickle Cell Hemoglobin) Complexed with GBT Compound 6 | Descriptor: | 5-[(imidazo[1,2-a]pyridin-8-yl)methoxy]-2-methoxypyridine-4-carbaldehyde, CARBON MONOXIDE, Hemoglobin subunit alpha, ... | Authors: | Partridge, J.R, Choy, R.M, Li, Z, Metcalf, B. | Deposit date: | 2017-01-04 | Release date: | 2017-02-22 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Discovery of GBT440, an Orally Bioavailable R-State Stabilizer of Sickle Cell Hemoglobin. ACS Med Chem Lett, 8, 2017
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3WTD
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![BU of 3wtd by Molmil](/molmil-images/mine/3wtd) | Structure of PAXX | Descriptor: | Uncharacterized protein C9orf142 | Authors: | Ochi, T, Blundell, T.L. | Deposit date: | 2014-04-09 | Release date: | 2015-01-21 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | DNA repair. PAXX, a paralog of XRCC4 and XLF, interacts with Ku to promote DNA double-strand break repair. Science, 347, 2015
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4L0M
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3WML
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![BU of 3wml by Molmil](/molmil-images/mine/3wml) | Structure of phosphotriesterase mutant (S308L/Y309A) from Agrobacterium radiobacter | Descriptor: | 1,2-ETHANEDIOL, COBALT (II) ION, FE (II) ION, ... | Authors: | Jackson, C.J, Carr, P.D, Sugrue, E. | Deposit date: | 2013-11-21 | Release date: | 2014-09-24 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | A 5000-fold increase in the specificity of a bacterial phosphotriesterase for malathion through combinatorial active site mutagenesis Plos One, 9, 2014
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3WTF
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![BU of 3wtf by Molmil](/molmil-images/mine/3wtf) | Structure of PAXX | Descriptor: | Uncharacterized protein C9orf142 | Authors: | Ochi, T, Blundell, T.L. | Deposit date: | 2014-04-09 | Release date: | 2015-01-21 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (3.451 Å) | Cite: | DNA repair. PAXX, a paralog of XRCC4 and XLF, interacts with Ku to promote DNA double-strand break repair. Science, 347, 2015
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4LHN
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3X1Y
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![BU of 3x1y by Molmil](/molmil-images/mine/3x1y) | Ras-related protein Rap1B(L9V) with GppNHp | Descriptor: | CADMIUM ION, GLYCEROL, MAGNESIUM ION, ... | Authors: | Noguchi, H, Ikegami, T, Park, S.Y, Tame, J.R.H, Unzai, S. | Deposit date: | 2014-12-02 | Release date: | 2015-06-03 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.168 Å) | Cite: | The structure and conformational switching of Rap1B Biochem.Biophys.Res.Commun., 462, 2015
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5TP9
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![BU of 5tp9 by Molmil](/molmil-images/mine/5tp9) | Structure of the human GluN1/GluN2A LBD in complex with compound 2 (GNE9178) | Descriptor: | 7-{[5-chloro-3-(trifluoromethyl)-1H-pyrazol-1-yl]methyl}-N-ethyl-2-methyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide, ACETATE ION, CALCIUM ION, ... | Authors: | Wallweber, H.J.A, Lupardus, P.J. | Deposit date: | 2016-10-20 | Release date: | 2016-11-30 | Last modified: | 2017-02-08 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | GluN2A-Selective Pyridopyrimidinone Series of NMDAR Positive Allosteric Modulators with an Improved in Vivo Profile. ACS Med Chem Lett, 8, 2017
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3ZOT
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![BU of 3zot by Molmil](/molmil-images/mine/3zot) | Structure of E.coli rhomboid protease GlpG in complex with monobactam L29 (data set 2) | Descriptor: | CHLORIDE ION, RHOMBOID PROTEASE GLPG, nonyl beta-D-glucopyranoside, ... | Authors: | Vinothkumar, K.R, Pierrat, O.A, Large, J.M, Freeman, M. | Deposit date: | 2013-02-24 | Release date: | 2013-05-22 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.399 Å) | Cite: | Structure of Rhomboid Protease in Complex with Beta-Lactam Inhibitors Defines the S2' Cavity. Structure, 21, 2013
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5TQE
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![BU of 5tqe by Molmil](/molmil-images/mine/5tqe) | Factor VIIa in complex with the inhibitor (5R)-5-[(1-aminoisoquinolin-6-yl)amino]-19-(cyclopropylsulfonyl)-3-methyl-13-oxa-3,15-diazatricyclo[14.3.1.1~6,10~]henicosa-1(20),6(21),7,9,16,18-hexaene-4,14-dione | Descriptor: | (5R)-5-[(1-aminoisoquinolin-6-yl)amino]-19-(cyclopropylsulfonyl)-3-methyl-13-oxa-3,15-diazatricyclo[14.3.1.1~6,10~]henicosa-1(20),6(21),7,9,16,18-hexaene-4,14-dione, CALCIUM ION, Factor VIIa (Heavy Chain), ... | Authors: | Wei, A. | Deposit date: | 2016-10-24 | Release date: | 2017-02-01 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Design and Synthesis of Novel Meta-Linked Phenylglycine Macrocyclic FVIIa Inhibitors. ACS Med Chem Lett, 8, 2017
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3WYF
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![BU of 3wyf by Molmil](/molmil-images/mine/3wyf) | Crystal structure of Xpo1p-Yrb2p-Gsp1p-GTP complex | Descriptor: | Exportin-1, GUANOSINE-5'-TRIPHOSPHATE, Gsp1p, ... | Authors: | Koyama, M, Shirai, N, Matsuura, Y. | Deposit date: | 2014-08-26 | Release date: | 2014-11-12 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.22 Å) | Cite: | Structural insights into how yrb2p accelerates the assembly of the xpo1p nuclear export complex Cell Rep, 9, 2014
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