4Y7M
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![BU of 4y7m by Molmil](/molmil-images/mine/4y7m) | T6SS protein TssM C-terminal domain (835-1129) from EAEC | Descriptor: | Hi113 protein, SULFATE ION, Type VI secretion protein IcmF | Authors: | Nguyen, V.S, Spinelli, S, Durand, E, Roussel, A, Cambillau, C. | Deposit date: | 2015-02-15 | Release date: | 2015-08-05 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | Biogenesis and structure of a type VI secretion membrane core complex. Nature, 523, 2015
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3TAF
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![BU of 3taf by Molmil](/molmil-images/mine/3taf) | 5-fluorocytosine paired with ddGMP in RB69 gp43 | Descriptor: | DNA (5'-D(*CP*CP*(C37)P*GP*GP*TP*AP*TP*GP*AP*CP*AP*GP*CP*CP*GP*CP*G)-3'), DNA (5'-D(*GP*CP*GP*GP*CP*TP*GP*TP*CP*AP*TP*AP*CP*CP*G)-3'), DNA-directed DNA polymerase, ... | Authors: | Zahn, K.E. | Deposit date: | 2011-08-04 | Release date: | 2011-11-09 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | The miscoding potential of 5-hydroxycytosine arises due to template instability in the replicative polymerase active site. Biochemistry, 50, 2011
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6I4M
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![BU of 6i4m by Molmil](/molmil-images/mine/6i4m) | Crystal Structure of Plasmodium berghei actin II in the Mg-ADP state | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Actin-2, CALCIUM ION, ... | Authors: | Kumpula, E.-P, Lopez, A.J, Tajedin, L, Han, H, Kursula, I. | Deposit date: | 2018-11-09 | Release date: | 2019-06-26 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.873 Å) | Cite: | Atomic view into Plasmodium actin polymerization, ATP hydrolysis, and fragmentation. Plos Biol., 17, 2019
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5CTT
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![BU of 5ctt by Molmil](/molmil-images/mine/5ctt) | |
5N11
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![BU of 5n11 by Molmil](/molmil-images/mine/5n11) | Crystal structure of Human beta1-coronavirus OC43 NL/A/2005 Hemagglutinin-Esterase | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETIC ACID, ... | Authors: | Bakkers, M.J.G, Feitsma, L.J, de Groot, R.J, Huizinga, E.G. | Deposit date: | 2017-02-04 | Release date: | 2017-03-22 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Betacoronavirus Adaptation to Humans Involved Progressive Loss of Hemagglutinin-Esterase Lectin Activity. Cell Host Microbe, 21, 2017
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3LIM
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![BU of 3lim by Molmil](/molmil-images/mine/3lim) | Crystal structure of the pore forming toxin frac from sea anemone actinia fragacea | Descriptor: | Fragaceatoxin C, LAURYL DIMETHYLAMINE-N-OXIDE | Authors: | Mechaly, A.E, Bellomio, A, Morante, K, Gonzalez-Manas, J.M, Guerin, D.M.A. | Deposit date: | 2010-01-25 | Release date: | 2010-12-15 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural insights into the oligomerization and architecture of eukaryotic membrane pore-forming toxins. Structure, 19, 2011
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7R05
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![BU of 7r05 by Molmil](/molmil-images/mine/7r05) | ATAD2 in complex with PepLite-Ile | Descriptor: | (2~{S},3~{S})-2-acetamido-~{N}-(3-bromanylprop-2-ynyl)-3-methyl-pentanamide, 1,2-ETHANEDIOL, ATPase family AAA domain-containing protein 2, ... | Authors: | Turberville, S, Martin, M.P, Hope, I, Noble, M.E.M. | Deposit date: | 2022-02-01 | Release date: | 2022-11-23 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.53 Å) | Cite: | Mapping Ligand Interactions of Bromodomains BRD4 and ATAD2 with FragLites and PepLites─Halogenated Probes of Druglike and Peptide-like Molecular Interactions. J.Med.Chem., 65, 2022
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5CPS
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![BU of 5cps by Molmil](/molmil-images/mine/5cps) | Disproportionating enzyme 1 from Arabidopsis - maltotriose soak | Descriptor: | 1,2-ETHANEDIOL, 4-alpha-glucanotransferase DPE1, chloroplastic/amyloplastic, ... | Authors: | O'Neill, E.C, Stevenson, C.E.M, Tantanarat, K, Latousakis, D, Donaldson, M.I, Rejzek, M, Limpaseni, T, Smith, A.M, Field, R.A, Lawson, D.M. | Deposit date: | 2015-07-21 | Release date: | 2015-11-04 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural Dissection of the Maltodextrin Disproportionation Cycle of the Arabidopsis Plastidial Disproportionating Enzyme 1 (DPE1). J.Biol.Chem., 290, 2015
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1YRS
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![BU of 1yrs by Molmil](/molmil-images/mine/1yrs) | Crystal structure of KSP in complex with inhibitor 1 | Descriptor: | 3-[(5S)-1-ACETYL-3-(2-CHLOROPHENYL)-4,5-DIHYDRO-1H-PYRAZOL-5-YL]PHENOL, ADENOSINE-5'-DIPHOSPHATE, Kinesin-like protein KIF11, ... | Authors: | Cox, C.D, Breslin, M.J, Mariano, B.J, Coleman, P.J, Buser, C.A, Walsh, E.S, Hamilton, K, Kohl, N.E, Torrent, M, Yan, Y, Kuo, L.C, Hartman, G.D. | Deposit date: | 2005-02-04 | Release date: | 2005-04-12 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Kinesin spindle protein (KSP) inhibitors. Part 1: The discovery of 3,5-diaryl-4,5-dihydropyrazoles as potent and selective inhibitors of the mitotic kinesin KSP BIOORG.MED.CHEM.LETT., 15, 2005
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7R0Y
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![BU of 7r0y by Molmil](/molmil-images/mine/7r0y) | ATAD2 in complex with PepLite-Glu | Descriptor: | (2~{S})-2-acetamido-~{N}-prop-2-enyl-pentanediamide, 1,2-ETHANEDIOL, ATPase family AAA domain-containing protein 2, ... | Authors: | Turberville, S, Martin, M.P, Hope, I, Noble, M.E.M. | Deposit date: | 2022-02-02 | Release date: | 2022-11-23 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.43 Å) | Cite: | Mapping Ligand Interactions of Bromodomains BRD4 and ATAD2 with FragLites and PepLites─Halogenated Probes of Druglike and Peptide-like Molecular Interactions. J.Med.Chem., 65, 2022
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4YLH
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![BU of 4ylh by Molmil](/molmil-images/mine/4ylh) | Crystal structure of DpgC with bound substrate analog and Xe on oxygen diffusion pathway | Descriptor: | DpgC, XENON, [(2R,3S,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-4-HYDROXY-3-(PHOSPHONOOXY)TETRAHYDROFURAN-2-YL]METHYL (3R)-4-({3-[(2-{[(3,5-DIHYDROXYPHENYL)ACETYL]AMINO}ETHYL)AMINO]-3-OXOPROPYL}AMINO)-3-HYDROXY-2,2-DIMETHYL-4-OXOBUTYL DIHYDROGEN DIPHOSPHATE | Authors: | Li, K, Di Russo, N.V, Condurso, H.L, Roitberg, A.E, Bruner, S.D. | Deposit date: | 2015-03-05 | Release date: | 2015-08-05 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.58 Å) | Cite: | Oxygen diffusion pathways in a cofactor-independent dioxygenase. Chem Sci, 6, 2015
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6VEN
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![BU of 6ven by Molmil](/molmil-images/mine/6ven) | |
7QYL
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![BU of 7qyl by Molmil](/molmil-images/mine/7qyl) | ATAD2 in complex with FragLite23 | Descriptor: | 1,2-ETHANEDIOL, 2-(4-bromo-1H-pyrazol-1-yl)ethan-1-ol, ATPase family AAA domain-containing protein 2, ... | Authors: | Turberville, S, Martin, M.P, Hope, I, Noble, M.E.M. | Deposit date: | 2022-01-28 | Release date: | 2022-11-23 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.44 Å) | Cite: | Mapping Ligand Interactions of Bromodomains BRD4 and ATAD2 with FragLites and PepLites─Halogenated Probes of Druglike and Peptide-like Molecular Interactions. J.Med.Chem., 65, 2022
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6XH0
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![BU of 6xh0 by Molmil](/molmil-images/mine/6xh0) | |
3LPQ
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![BU of 3lpq by Molmil](/molmil-images/mine/3lpq) | Human MitoNEET with 2Fe-2S Coordinating Ligand His 87 Replaced With Cys | Descriptor: | CDGSH iron sulfur domain-containing protein 1, FE2/S2 (INORGANIC) CLUSTER | Authors: | Conlan, A.R, Homer, C, Axelrod, H.L, Cohen, A.E, Abresch, E.C, Zuris, J, Nechushtai, R, Paddock, M.L, Jennings, P.A. | Deposit date: | 2010-02-05 | Release date: | 2011-06-01 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Mutation of the His ligand in mitoNEET stabilizes the 2Fe-2S cluster despite conformational heterogeneity in the ligand environment. Acta Crystallogr.,Sect.D, 67, 2011
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7QZZ
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![BU of 7qzz by Molmil](/molmil-images/mine/7qzz) | ATAD2 in complex with FragLite31 | Descriptor: | 1,2-ETHANEDIOL, 2-(4-bromanyl-2-methoxy-phenyl)ethanoic acid, ATPase family AAA domain-containing protein 2, ... | Authors: | Turberville, S, Martin, M.P, Hope, I, Noble, M.E.M. | Deposit date: | 2022-02-01 | Release date: | 2022-12-07 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.52 Å) | Cite: | Mapping Ligand Interactions of Bromodomains BRD4 and ATAD2 with FragLites and PepLites─Halogenated Probes of Druglike and Peptide-like Molecular Interactions. J.Med.Chem., 65, 2022
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7R00
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![BU of 7r00 by Molmil](/molmil-images/mine/7r00) | ATAD2 in complex with FragLite33 | Descriptor: | 1,2-ETHANEDIOL, 3-azanyl-5-bromanyl-1-methyl-pyridin-2-one, ATPase family AAA domain-containing protein 2, ... | Authors: | Turberville, S, Martin, M.P, Hope, I, Noble, M.E.M. | Deposit date: | 2022-02-01 | Release date: | 2022-12-07 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | Mapping Ligand Interactions of Bromodomains BRD4 and ATAD2 with FragLites and PepLites─Halogenated Probes of Druglike and Peptide-like Molecular Interactions. J.Med.Chem., 65, 2022
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6XTZ
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![BU of 6xtz by Molmil](/molmil-images/mine/6xtz) | |
4YWC
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![BU of 4ywc by Molmil](/molmil-images/mine/4ywc) | Crystal structure of Myc3(5-242) fragment in complex with Jaz9(218-239) peptide | Descriptor: | Protein TIFY 7, Transcription factor MYC3 | Authors: | Ke, J, Zhang, F, Brunzelle, J.S, Xu, H.E, Melcher, K, He, S.Y. | Deposit date: | 2015-03-20 | Release date: | 2015-08-05 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural basis of JAZ repression of MYC transcription factors in jasmonate signalling. Nature, 525, 2015
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6SG9
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![BU of 6sg9 by Molmil](/molmil-images/mine/6sg9) | Head domain of the mt-SSU assemblosome from Trypanosoma brucei | Descriptor: | 9S rRNA, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Saurer, M, Ramrath, D.J.F, Niemann, M, Calderaro, S, Prange, C, Mattei, S, Scaiola, A, Leitner, A, Bieri, P, Horn, E.K, Leibundgut, M, Boehringer, D, Schneider, A, Ban, N. | Deposit date: | 2019-08-03 | Release date: | 2019-09-18 | Last modified: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Mitoribosomal small subunit biogenesis in trypanosomes involves an extensive assembly machinery. Science, 365, 2019
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6SD3
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![BU of 6sd3 by Molmil](/molmil-images/mine/6sd3) | 34mer structure of the Salmonella flagella MS-ring protein FliF | Descriptor: | Flagellar M-ring protein | Authors: | Johnson, S, Fong, Y.H, Deme, J.C, Furlong, E.J, Kuhlen, L, Lea, S.M. | Deposit date: | 2019-07-26 | Release date: | 2020-03-18 | Last modified: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Symmetry mismatch in the MS-ring of the bacterial flagellar rotor explains the structural coordination of secretion and rotation. Nat Microbiol, 5, 2020
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4Y7L
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![BU of 4y7l by Molmil](/molmil-images/mine/4y7l) | T6SS protein TssM C-terminal domain (869-1107) from EAEC | Descriptor: | GLYCEROL, Type VI secretion protein IcmF, ZINC ION | Authors: | Nguyen, V.S, Spinelli, S, Durand, E, Roussel, A, Cambillau, C. | Deposit date: | 2015-02-15 | Release date: | 2015-08-05 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.51 Å) | Cite: | Biogenesis and structure of a type VI secretion membrane core complex. Nature, 523, 2015
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2WFF
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![BU of 2wff by Molmil](/molmil-images/mine/2wff) | Equine Rhinitis A Virus | Descriptor: | P1 | Authors: | Fry, E.E, Tuthill, T.J, Harlos, K, Walter, T.S, Knowles, N.J, Gropelli, E, Rowlands, D.J, Stuart, D.I. | Deposit date: | 2009-04-05 | Release date: | 2010-05-05 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (4 Å) | Cite: | Equine Rhinitis a Virus and its Low Ph Empty Particle: Clues Towards an Aphthovirus Entry Mechanism? Plos Pathog., 5, 2009
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6I4I
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![BU of 6i4i by Molmil](/molmil-images/mine/6i4i) | Crystal Structure of Plasmodium falciparum actin I (F54Y mutant) in the Mg-K-ADP-AlFn state | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ALUMINUM FLUORIDE, Actin-1, ... | Authors: | Kumpula, E.-P, Lopez, A.J, Tajedin, L, Han, H, Kursula, I. | Deposit date: | 2018-11-09 | Release date: | 2019-06-26 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Atomic view into Plasmodium actin polymerization, ATP hydrolysis, and fragmentation. Plos Biol., 17, 2019
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4GKH
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![BU of 4gkh by Molmil](/molmil-images/mine/4gkh) | Crystal structure of the aminoglycoside phosphotransferase APH(3')-Ia, with substrate kanamycin and small molecule inhibitor 1-NA-PP1 | Descriptor: | 1-tert-butyl-3-(naphthalen-1-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, ACETATE ION, Aminoglycoside 3'-phosphotransferase AphA1-IAB, ... | Authors: | Stogios, P.J, Evdokimova, E, Wawrzak, Z, Minasov, G, Egorova, O, Di Leo, R, Shakya, T, Spanogiannopoulos, P, Todorovic, N, Capretta, A, Wright, G.D, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2012-08-11 | Release date: | 2012-09-05 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.863 Å) | Cite: | Structure-guided optimization of protein kinase inhibitors reverses aminoglycoside antibiotic resistance. Biochem.J., 454, 2013
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