5KSK
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6MK1
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![BU of 6mk1 by Molmil](/molmil-images/mine/6mk1) | Cryo-EM of self-assembly peptide filament HEAT_R1 | Descriptor: | peptide HEAT_R1 | Authors: | Wang, F, Hughes, S.A, Orlova, A, Conticello, V.P, Egelman, E.H. | Deposit date: | 2018-09-24 | Release date: | 2019-06-26 | Last modified: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (6 Å) | Cite: | Ambidextrous helical nanotubes from self-assembly of designed helical hairpin motifs. Proc.Natl.Acad.Sci.USA, 116, 2019
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2PN3
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![BU of 2pn3 by Molmil](/molmil-images/mine/2pn3) | Crystal Structure of Hepatitis C Virus IRES Subdomain IIa | Descriptor: | 5'-R(*CP*GP*GP*AP*GP*GP*AP*AP*CP*UP*AP*CP*UP*GP*UP*CP*UP*UP*CP*AP*CP*GP*CP*C)-3', 5'-R(*GP*CP*GP*(5BU)P*GP*UP*CP*GP*UP*GP*CP*AP*GP*CP*CP*(5BU)P*CP*CP*GP*G)-3', MAGNESIUM ION | Authors: | Zhao, Q, Han, Q, Kissinger, C.R, Hermann, T, Thompson, P.A. | Deposit date: | 2007-04-23 | Release date: | 2008-04-01 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structure of hepatitis C virus IRES subdomain IIa. Acta Crystallogr.,Sect.D, 64, 2008
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4ZP1
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![BU of 4zp1 by Molmil](/molmil-images/mine/4zp1) | Crystal structure of Zymomonas mobilis pyruvate decarboxylase variant Glu473Ala | Descriptor: | GLYCEROL, MAGNESIUM ION, NICKEL (II) ION, ... | Authors: | Wechsler, C, Neumann, P, Tittmann, K. | Deposit date: | 2015-05-07 | Release date: | 2015-11-04 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.205 Å) | Cite: | Tuning and Switching Enantioselectivity of Asymmetric Carboligation in an Enzyme through Mutational Analysis of a Single Hot Spot. Chembiochem, 16, 2015
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6MQB
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![BU of 6mqb by Molmil](/molmil-images/mine/6mqb) | Crystal Structure of GTPase Domain of Human Septin 12 in complex with GMPPNP in Space Group C2221 | Descriptor: | MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, Septin-12 | Authors: | Castro, D.K.S.V, Pereira, H.M, Brandao-Neto, J, Ulian, A.P.U, Garratt, R.C. | Deposit date: | 2018-10-09 | Release date: | 2019-10-16 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.12 Å) | Cite: | A complete compendium of crystal structures for the human SEPT3 subgroup reveals functional plasticity at a specific septin interface. Iucrj, 7, 2020
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5G1V
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![BU of 5g1v by Molmil](/molmil-images/mine/5g1v) | Linalool Dehydratase Isomerase: Selenomethionine Derivative | Descriptor: | LINALOOL DEHYDRATASE ISOMERASE | Authors: | Chambers, S, Hau, A, Man, H, Omar, M, Turkenburg, J.P, Grogan, G. | Deposit date: | 2016-03-30 | Release date: | 2017-01-11 | Last modified: | 2017-02-22 | Method: | X-RAY DIFFRACTION (2.68 Å) | Cite: | Structural and functional insights into asymmetric enzymatic dehydration of alkenols. Nat. Chem. Biol., 13, 2017
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1PL6
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![BU of 1pl6 by Molmil](/molmil-images/mine/1pl6) | Human SDH/NADH/inhibitor complex | Descriptor: | 4-[2-(HYDROXYMETHYL)PYRIMIDIN-4-YL]-N,N-DIMETHYLPIPERAZINE-1-SULFONAMIDE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Sorbitol dehydrogenase, ... | Authors: | Pauly, T.A, Ekstrom, J.L, Beebe, D.A, Chrunyk, B, Cunningham, D, Griffor, M, Kamath, A, Lee, S.E, Madura, R, Mcguire, D, Subashi, T, Wasilko, D, Watts, P, Mylari, B.L, Oates, P.J, Adams, P.D, Rath, V.L. | Deposit date: | 2003-06-07 | Release date: | 2004-02-17 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | X-ray crystallographic and kinetic studies of human sorbitol dehydrogenase. Structure, 11, 2003
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6JTA
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![BU of 6jta by Molmil](/molmil-images/mine/6jta) | Crystal Structure of D464A L465A mutant of FGAM Synthetase | Descriptor: | 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, GLUTAMINE, ... | Authors: | Sharma, N, Ahalawat, N, Sandhu, P, Mondal, J, Anand, R. | Deposit date: | 2019-04-10 | Release date: | 2020-03-04 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Role of allosteric switches and adaptor domains in long-distance cross-talk and transient tunnel formation. Sci Adv, 6, 2020
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5H1L
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![BU of 5h1l by Molmil](/molmil-images/mine/5h1l) | Crystal structure of WD40 repeat domains of Gemin5 in complex with 7-nt U4 snRNA fragment | Descriptor: | GLYCEROL, Gem-associated protein 5, U4 snRNA (5'-R(*AP*UP*UP*UP*UP*UP*G)-3') | Authors: | Jin, W, Wang, Y, Liu, C.P, Yang, N, Jin, M, Cong, Y, Wang, M, Xu, R.M. | Deposit date: | 2016-10-10 | Release date: | 2016-11-23 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural basis for snRNA recognition by the double-WD40 repeat domain of Gemin5 Genes Dev., 30, 2016
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1B21
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![BU of 1b21 by Molmil](/molmil-images/mine/1b21) | DELETION OF A BURIED SALT BRIDGE IN BARNASE | Descriptor: | PROTEIN (BARNASE), ZINC ION | Authors: | Vaughan, C.K, Harryson, P, Buckle, A.M, Oliveberg, M, Fersht, A.R. | Deposit date: | 1998-12-03 | Release date: | 1998-12-09 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | A structural double-mutant cycle: estimating the strength of a buried salt bridge in barnase. Acta Crystallogr.,Sect.D, 58, 2002
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6ANE
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![BU of 6ane by Molmil](/molmil-images/mine/6ane) | Crystal Structure of Ideonella sakaiensis PET Hydrolase | Descriptor: | MAGNESIUM ION, Poly(ethylene terephthalate) hydrolase | Authors: | Galaz-Davison, P, Sotomayor, M, Parra, L.P, Ramirez-Sarmiento, C.A. | Deposit date: | 2017-08-12 | Release date: | 2018-04-18 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | Active Site Flexibility as a Hallmark for Efficient PET Degradation by I. sakaiensis PETase. Biophys. J., 114, 2018
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5GIK
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![BU of 5gik by Molmil](/molmil-images/mine/5gik) | Modulation of the affinity of a HIV-1 capsid-directed ankyrin towards its viral target through critical amino acid editing | Descriptor: | Artificial ankyrin repeat protein_Ank(GAG)1D4 mutant -S45Y, GLYCEROL | Authors: | Chuankhayan, P, Saoin, S, Wisitponchai, T, Intachai, K, Chupradit, K, Moonmuang, S, Kitidee, K, Nangola, S, Sanghiran, L.V, Hong, S.S, Boulanger, P, Tayapiwatana, C, Chen, C.J. | Deposit date: | 2016-06-24 | Release date: | 2017-06-28 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.49 Å) | Cite: | Modulation of the affinity of a HIV-1 capsid-directed ankyrintowards its viral target through critical amino acid editing To Be Published
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1HV0
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![BU of 1hv0 by Molmil](/molmil-images/mine/1hv0) | DISSECTING ELECTROSTATIC INTERACTIONS AND THE PH-DEPENDENT ACTIVITY OF A FAMILY 11 GLYCOSIDASE | Descriptor: | ENDO-1,4-BETA-XYLANASE | Authors: | Joshi, M.D, Sidhu, G, Nielsen, J.E, Brayer, G.D, Withers, S.G, McIntosh, L.P. | Deposit date: | 2001-01-05 | Release date: | 2001-09-14 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Dissecting the electrostatic interactions and pH-dependent activity of a family 11 glycosidase. Biochemistry, 40, 2001
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4ZNL
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![BU of 4znl by Molmil](/molmil-images/mine/4znl) | Thermus Phage P74-26 Large Terminase ATPase domain bound to ADP Beryllium Fluoride | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, MAGNESIUM ION, ... | Authors: | Hilbert, B.J, Hayes, J.A, Stone, N.P, Duffy, C.M, Kelch, B.A. | Deposit date: | 2015-05-04 | Release date: | 2015-07-08 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.068 Å) | Cite: | Structure and mechanism of the ATPase that powers viral genome packaging. Proc.Natl.Acad.Sci.USA, 112, 2015
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2XQK
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![BU of 2xqk by Molmil](/molmil-images/mine/2xqk) | X-ray Structure of human butyrylcholinesterase inhibited by pure enantiomer VX-(S) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Wandhammer, M, Carletti, E, Gillon, E, Masson, P, Goeldner, M, Noort, D, Nachon, F. | Deposit date: | 2010-09-02 | Release date: | 2011-03-23 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural Study of the Complex Stereoselectivity of Human Butyrylcholinesterase for the Neurotoxic V-Agents. J.Biol.Chem., 286, 2011
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1PL8
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![BU of 1pl8 by Molmil](/molmil-images/mine/1pl8) | human SDH/NAD+ complex | Descriptor: | NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ZINC ION, human sorbitol dehydrogenase | Authors: | Pauly, T.A, Ekstrom, J.L, Beebe, D.A, Chrunyk, B, Cunningham, D, Griffor, M, Kamath, A, Lee, S.E, Madura, R, Mcguire, D, Subashi, T, Wasilko, D, Watts, P, Mylari, B.L, Oates, P.J, Adams, P.D, Rath, V.L. | Deposit date: | 2003-06-07 | Release date: | 2004-02-17 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | X-ray crystallographic and kinetic studies of human sorbitol dehydrogenase. Structure, 11, 2003
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1PNK
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5GVP
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![BU of 5gvp by Molmil](/molmil-images/mine/5gvp) | Plasmodium vivax SHMT bound with PLP-glycine and GS654 | Descriptor: | 3-[3-[3-[(4~{S})-6-azanyl-5-cyano-3-methyl-4-propan-2-yl-2~{H}-pyrano[2,3-c]pyrazol-4-yl]-5-(trifluoromethyl)phenyl]phenyl]propanoic acid, CHLORIDE ION, N-GLYCINE-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YL-METHANE], ... | Authors: | Chitnumsub, P, Jaruwat, A, Leartsakulpanich, U, Schwertz, G. | Deposit date: | 2016-09-06 | Release date: | 2017-07-12 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.26 Å) | Cite: | Antimalarial Inhibitors Targeting Serine Hydroxymethyltransferase (SHMT) with in Vivo Efficacy and Analysis of their Binding Mode Based on X-ray Cocrystal Structures J. Med. Chem., 60, 2017
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1AVN
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![BU of 1avn by Molmil](/molmil-images/mine/1avn) | HUMAN CARBONIC ANHYDRASE II COMPLEXED WITH THE HISTAMINE ACTIVATOR | Descriptor: | AZIDE ION, CARBONIC ANHYDRASE II, HISTAMINE, ... | Authors: | Briganti, F, Mangani, S, Orioli, P, Scozzafava, A, Vernaglione, G, Supuran, C.T. | Deposit date: | 1997-09-17 | Release date: | 1997-12-24 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Carbonic anhydrase activators: X-ray crystallographic and spectroscopic investigations for the interaction of isozymes I and II with histamine. Biochemistry, 36, 1997
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5I3O
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![BU of 5i3o by Molmil](/molmil-images/mine/5i3o) | Crystal Structure of BMP-2-inducible kinase in complex with an Indazole inhibitor | Descriptor: | BMP-2-inducible protein kinase, N-(6-{3-[(dimethylsulfamoyl)amino]phenyl}-1H-indazol-3-yl)cyclopropanecarboxamide, SULFATE ION | Authors: | Counago, R.M, Sorrell, F.J, Krojer, T, Savitsky, P, Elkins, J.M, Axtman, A, Drewry, D, Wells, C, Zhang, C, Zuercher, W, Willson, T.M, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Arruda, P, Gileadi, O, Structural Genomics Consortium (SGC) | Deposit date: | 2016-02-10 | Release date: | 2016-03-09 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal Structure of BMP-2-inducible kinase in complex with an Indazole inhibitor To Be Published
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5CR7
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4BUL
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![BU of 4bul by Molmil](/molmil-images/mine/4bul) | Novel hydroxyl tricyclics (e.g. GSK966587) as potent inhibitors of bacterial type IIA topoisomerases | Descriptor: | (S)-4-((4-(((2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-yl)methyl)amino)piperidin-1-yl)methyl)-3-fluoro-4-hydroxy-4H-pyrrolo[3,2,1-de][1,5]naphthyridin-7(5H)-one, 5'-D(*AP*GP*CP*CP*GP*TP*AP*GP*GP*TP*AP*CP*AP*CP *CP*GP*CP*AP*C)-3', 5'-D(*TP*GP*TP*GP*CP*GP*GP*TP*GP*TP*AP*CP*CP*TP *AP*CP*GP*GP*CP*T)-3', ... | Authors: | Miles, T.J, Hennessy, A.J, Bax, B, Brooks, G, Brown, B.S, Brown, P, Cailleau, N, Chen, D, Dabbs, S, Davies, D.T, Esken, J.M, Giordano, I, Hoover, J.L, Huang, J, Jones, G.E, Sukmar, S.K.K, Spitzfaden, C, Markwell, R.E, Minthorn, E.A, Rittenhouse, S, Gwynn, M.N, Pearson, N.D. | Deposit date: | 2013-06-20 | Release date: | 2013-08-07 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Novel Hydroxyl Tricyclics (E.G., Gsk966587) as Potent Inhibitors of Bacterial Type Iia Topoisomerases. Bioorg.Med.Chem.Lett., 23, 2013
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6MAB
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![BU of 6mab by Molmil](/molmil-images/mine/6mab) | 1.7A resolution structure of RsbU from Chlamydia trachomatis (periplasmic domain) | Descriptor: | ISOPROPYL ALCOHOL, Sigma regulatory family protein-PP2C phosphatase | Authors: | Dmitriev, A, Lovell, S, Battaile, K.P, Soules, K, Hefty, P.S. | Deposit date: | 2018-08-27 | Release date: | 2019-09-04 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural and ligand binding analyses of the periplasmic sensor domain of RsbU in Chlamydia trachomatis support a role in TCA cycle regulation. Mol.Microbiol., 113, 2020
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2XKJ
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![BU of 2xkj by Molmil](/molmil-images/mine/2xkj) | CRYSTAL STRUCTURE OF CATALYTIC CORE OF A. BAUMANNII TOPO IV (PARE- PARC FUSION TRUNCATE) | Descriptor: | GLYCEROL, SULFATE ION, TOPOISOMERASE IV | Authors: | Wohlkonig, A, Chan, P.F, Fosberry, A.P, Homes, P, Huang, J, Kranz, M, Leydon, V.R, Miles, T.J, Pearson, N.D, Perera, R.L, Shillings, A.J, Gwynn, M.N, Bax, B.D. | Deposit date: | 2010-07-08 | Release date: | 2010-09-01 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural Basis of Quinolone Inhibition of Type Iia Topoisomerases and Target-Mediated Resistance Nat.Struct.Mol.Biol., 17, 2010
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4AME
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![BU of 4ame by Molmil](/molmil-images/mine/4ame) | TYPE III ANTIFREEZE PROTEIN ISOFORM HPLC 12 T18A | Descriptor: | PROTEIN (ANTIFREEZE PROTEIN TYPE III) | Authors: | Graether, S.P, Deluca, C.I, Baardsnes, J, Hill, G.A, Davies, P.L, Jia, Z. | Deposit date: | 1999-01-24 | Release date: | 1999-04-29 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Quantitative and qualitative analysis of type III antifreeze protein structure and function. J.Biol.Chem., 274, 1999
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