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4V12
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BU of 4v12 by Molmil
Crystal structure of the MSMEG_6754 dehydratase from Mycobacterium smegmatis
Descriptor: (20S)-2,5,8,11,14,17-HEXAMETHYL-3,6,9,12,15,18-HEXAOXAHENICOSANE-1,20-DIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, MAOC LIKE DOMAIN PROTEIN
Authors:Blaise, M.
Deposit date:2014-09-23
Release date:2015-03-18
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:A New Dehydratase Conferring Innate Resistance to Thiacetazone and Intra-Amoebal Survival of Mycobacterium Smegmatis.
Mol.Microbiol., 96, 2015
4V29
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BU of 4v29 by Molmil
The crystal structure of Arabidopsis thaliana CAR4 in complex with two calcium ions
Descriptor: AT3G17980, CALCIUM ION
Authors:Diaz, M, Albert, A.
Deposit date:2014-10-07
Release date:2014-12-17
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:C2-Domain Abscisic Acid-Related Proteins Mediate the Interaction of Pyr/Pyl/Rcar Abscisic Acid Receptors with the Plasma Membrane and Regulate Abscisic Acid Sensitivity in Arabidopsis.
Plant Cell, 26, 2014
4UXE
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BU of 4uxe by Molmil
Crystal structure of the carboxy-terminal region of the bacteriophage T4 proximal long tail fibre protein gp34, P21 selenomethionine crystal
Descriptor: GLYCEROL, LARGE TAIL FIBER PROTEIN P34
Authors:Granell, M, Alvira, S, Garcia-Doval, C, Singh, A.K, van Raaij, M.J.
Deposit date:2014-08-22
Release date:2015-08-19
Last modified:2017-07-19
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal Structure of the Carboxy-Terminal Region of the Bacteriophage T4 Proximal Long Tail Fiber Protein Gp34.
Viruses, 9, 2017
4V7G
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BU of 4v7g by Molmil
Crystal Structure of Lumazine Synthase from Bacillus Anthracis
Descriptor: 6,7-dimethyl-8-ribityllumazine synthase, PHOSPHATE ION
Authors:Morgunova, E, Illarionov, B, Saller, S, Popov, A, Sambaiah, T, Bacher, A, Cushman, M, Fischer, M, Ladenstein, R.
Deposit date:2009-09-16
Release date:2014-07-09
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Structural study and thermodynamic characterization of inhibitor binding to lumazine synthase from Bacillus anthracis.
Acta Crystallogr.,Sect.D, 66, 2010
4UWL
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BU of 4uwl by Molmil
Discovery of (2S)-8-((3R)-3-Methylmorpholin-4-yl)-1-(3-methyl-2-oxo- butyl)-2-(trifluoromethyl)-3,4-dihydro-2H-pyrimido(1,2-a)pyrimidin-6- one: a Novel Potent and Selective Inhibitor of Vps34 for the Treatment of Solid Tumors
Descriptor: (8S)-2-[(3R)-3-methylmorpholin-4-yl]-9-(3-methyl-2-oxobutyl)-8-(trifluoromethyl)-6,7,8,9-tetrahydro-4H-pyrimido[1,2-a]pyrimidin-4-one, PHOSPHATIDYLINOSITOL 3-KINASE CATALYTIC SUBUNIT TYPE 3, SULFATE ION
Authors:Pasquier, B, El-Ahmad, Y, Filoche-Romme, B, Dureuil, C, Fassy, F, Abecassis, P.Y, Mathieu, M, Bertrand, T, Benard, T, Barriere, C, ElBatti, S, Letallec, J.P, Sonnefraud, V, Brollo, M, Delbarre, L, Loyau, V, Pilorge, F, Bertin, L, Richepin, P, Arigon, J, Labrosse, J.R, Clement, J, Durand, F, Combet, R, Perraut, P, Leroy, V, Gay, F, Lefrancois, D, Bretin, F, Marquette, J.P, Michot, N, Caron, A, Castell, C, Schio, L, McCort, G, Goulaouic, H, Garcia-Echeverria, C, Ronan, B.
Deposit date:2014-08-12
Release date:2014-11-26
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Discovery of (2S)-8-[(3R)-3-Methylmorpholin-4-Yl]-1-(3-Methyl-2-Oxo-Butyl)-2-(Trifluoromethyl)-3,4-Dihydro-2H-Pyrimido[1,2-A]Pyrimidin-6-One: A Novel Potent and Selective Inhibitor of Vps34 for the Treatment of Solid Tumors.
J.Med.Chem., 58, 2015
4V0I
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BU of 4v0i by Molmil
Water Network Determines Selectivity for a Series of Pyrimidone Indoline Amide PI3KBeta Inhibitors over PI3K-Delta
Descriptor: 2-[2-(2-METHYL-2,3-DIHYDRO-INDOL-1-YL)-2-OXO-ETHYL]-6-MORPHOLIN-4-YL-3H-PYRIMIDIN-4-ONE, PHOSPHATIDYLINOSITOL-4,5-BISPHOSPHATE 3-KINASE CATALYTIC SUBUNIT DELTA ISOFORM
Authors:Robinson, D, Bertrand, T, Carry, J.C, Halley, F, Karlsson, A, Mathieu, M, Minoux, H, Perrin, M.A, Robert, B, Schio, L, Sherman, W.
Deposit date:2014-09-16
Release date:2015-09-30
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.54 Å)
Cite:Differential Water Thermodynamics Determine Pi3K-Beta/Delta Selectivity for Solvent-Exposed Ligand Modifications.
J.Chem.Inf.Model., 56, 2016
4V1N
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BU of 4v1n by Molmil
Architecture of the RNA polymerase II-Mediator core transcription initiation complex
Descriptor: DNA-DIRECTED RNA POLYMERASE II SUBUNIT RPB1, DNA-DIRECTED RNA POLYMERASE II SUBUNIT RPB11, DNA-DIRECTED RNA POLYMERASE II SUBUNIT RPB2, ...
Authors:Plaschka, C, Lariviere, L, Wenzeck, L, Hemann, M, Tegunov, D, Petrotchenko, E.V, Borchers, C.H, Baumeister, W, Herzog, F, Villa, E, Cramer, P.
Deposit date:2014-09-29
Release date:2015-02-04
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (7.8 Å)
Cite:Architecture of the RNA Polymerase II-Mediator Core Initiation Complex.
Nature, 518, 2015
8RRY
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BU of 8rry by Molmil
Crystal structure of copper-loaded SmAA10
Descriptor: CBP21, CITRIC ACID, COPPER (II) ION, ...
Authors:Munzone, A, Pujol, M, Reglier, M, Royant, A, Simaan, A.J, Decroos, C.
Deposit date:2024-01-24
Release date:2024-06-12
Method:X-RAY DIFFRACTION (1.45561326 Å)
Cite:Integrated Experimental and Theoretical Investigation of Copper Active Site Properties of a Lytic Polysaccharide Monooxygenase from Serratia marcescens.
Inorg.Chem., 2024
8S8A
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BU of 8s8a by Molmil
Human pyridoxal phosphatase in complex with 7,8-dihydroxyflavone without phosphate
Descriptor: 7,8-bis(oxidanyl)-2-phenyl-chromen-4-one, CHLORIDE ION, Chronophin, ...
Authors:Brenner, M, Gohla, A, Schindelin, H.
Deposit date:2024-03-06
Release date:2024-06-12
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:7,8-Dihydroxyflavone is a direct inhibitor of pyridoxal phosphatase
Elife, 13:RP93094, 2024
8P8H
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BU of 8p8h by Molmil
Crystal structure of HHD2 domain of hRTEL1
Descriptor: Regulator of telomere elongation helicase 1
Authors:Hegde, R.P, Kanade, M, Cortone, G, Graewert, M, Longo, A, Gonzalez, A, Chaves-Arquero, B, Blanco, F.J, Napolitano, L.M.R, Onesti, S.
Deposit date:2023-06-01
Release date:2024-06-12
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of HHD2 domain of hRTEL1
To Be Published
4V5M
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BU of 4v5m by Molmil
tRNA tranlocation on the 70S ribosome: the pre-translocational translocation intermediate TI(PRE)
Descriptor: 16S RRNA, 23S RIBOSOMAL RNA, 30S RIBOSOMAL PROTEIN S10, ...
Authors:Ratje, A.H, Loerke, J, Mikolajka, A, Bruenner, M, Hildebrand, P.W, Starosta, A.L, Doenhoefer, A, Connell, S.R, Fucini, P, Mielke, T, Whitford, P.C, Onuchic, J.N, Yu, Y, Sanbonmatsu, K.Y, Hartmann, R.K, Penczek, P.A, Wilson, D.N, Spahn, C.M.T.
Deposit date:2010-10-01
Release date:2014-07-09
Last modified:2019-12-11
Method:ELECTRON MICROSCOPY (7.8 Å)
Cite:Head Swivel on the Ribosome Facilitates Translocation by Means of Intra-Subunit tRNA Hybrid Sites.
Nature, 468, 2010
4V5T
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BU of 4v5t by Molmil
X-ray structure of the Grapevine Fanleaf virus
Descriptor: COAT PROTEIN
Authors:Schellenberger, P, Sauter, C, Lorber, B, Bron, P, Trapani, S, Bergdoll, M, Marmonier, A, Schmitt-Keichinger, C, Lemaire, O, Demangeat, G, Ritzenthaler, C.
Deposit date:2011-02-01
Release date:2014-07-09
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structural Insights Into Viral Determinants of Nematode Mediated Grapevine Fanleaf Virus Transmission.
Plos Pathog., 7, 2011
8BTM
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BU of 8btm by Molmil
Structural and functional studies of geldanamycin amide synthase ShGdmF
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, GdmF
Authors:Ewert, W, Zeilinger, C, Kirschning, A, Preller, M.
Deposit date:2022-11-29
Release date:2024-06-12
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structural and functional studies of geldanamycin amide synthase ShGdmF
To Be Published
8POQ
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BU of 8poq by Molmil
Crystal structure of wolbachia leucyl-tRNA synthetase editing domain
Descriptor: Leucine--tRNA ligase
Authors:Palencia, A, Lukarska, M.
Deposit date:2023-07-05
Release date:2024-06-12
Method:X-RAY DIFFRACTION (3 Å)
Cite:Targeting A Microbiota Wolbachian Aminoacyl-tRNA Synthetase To Block Its Pathogenic Host
Science Advances, 2024
8POR
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BU of 8por by Molmil
Crystal structure of wolbachia leucyl-tRNA synthetase editing domain bound to cmpd6-AMP adduct
Descriptor: 1,2-ETHANEDIOL, 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, Leucine--tRNA ligase, ...
Authors:Palencia, A, Lukarska, M.
Deposit date:2023-07-05
Release date:2024-06-12
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Targeting A Microbiota Wolbachian Aminoacyl-tRNA Synthetase To Block Its Pathogenic Host
Science Advances, 2024
4V8W
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BU of 4v8w by Molmil
Structure and conformational variability of the Mycobacterium tuberculosis fatty acid synthase multienzyme complex
Descriptor: FLAVIN MONONUCLEOTIDE, TYPE-I FATTY ACID SYNTHASE
Authors:Ciccarelli, L, Connell, S.R, Enderle, M, Mills, D.J, Vonck, J, Grininger, M.
Deposit date:2013-04-18
Release date:2014-07-09
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (17.5 Å)
Cite:Structure and Conformational Variability of the Mycobacterium Tuberculosis Fatty Acid Synthase Multienzyme Complex.
Structure, 21, 2013
4V88
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BU of 4v88 by Molmil
The structure of the eukaryotic ribosome at 3.0 A resolution.
Descriptor: 18S RIBOSOMAL RNA, 18S rRNA, 25S rRNA, ...
Authors:Ben-Shem, A, Garreau de Loubresse, N, Melnikov, S, Jenner, L, Yusupova, G, Yusupov, M.
Deposit date:2011-10-11
Release date:2014-07-09
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3 Å)
Cite:The structure of the eukaryotic ribosome at 3.0 angstrom resolution.
Science, 334, 2011
4WBL
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BU of 4wbl by Molmil
Catalytic domain of mouse 2',3'-cyclic nucleotide 3'- phosphodiesterase, with mutation F235A
Descriptor: 2',3'-cyclic-nucleotide 3'-phosphodiesterase, CHLORIDE ION, GLYCEROL
Authors:Myllykoski, M, Raasakka, A, Kursula, P.
Deposit date:2014-09-03
Release date:2015-09-23
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.501 Å)
Cite:Determinants of ligand binding and catalytic activity in the myelin enzyme 2',3'-cyclic nucleotide 3'-phosphodiesterase.
Sci Rep, 5, 2015
4UVS
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BU of 4uvs by Molmil
Crystal structure of human tankyrase 2 in complex with 5-amino-3- pentyl-1,2-dihydroisoquinolin-1-one
Descriptor: 5-amino-3-pentylisoquinolin-1(2H)-one, SULFATE ION, TANKYRASE-2, ...
Authors:Narwal, M, Haikarainen, T, Lehtio, L.
Deposit date:2014-08-08
Release date:2015-07-29
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2 Å)
Cite:Exploration of the Nicotinamide-Binding Site of the Tankyrases, Identifying 3-Arylisoquinolin-1-Ones as Potent and Selective Inhibitors in Vitro.
Bioorg.Med.Chem., 23, 2015
4UU0
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BU of 4uu0 by Molmil
CRYSTAL STRUCTURE OF (SR) CALCIUM-ATPASE E2(TG) IN THE PRESENCE OF 14:1 PC
Descriptor: GLYCEROL, MAGNESIUM ION, OCTANOIC ACID [3S-[3ALPHA, ...
Authors:Drachmann, N.D, Olesen, C, Moeller, J.V, Guo, Z, Nissen, P, Bublitz, M.
Deposit date:2014-07-24
Release date:2014-10-01
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Comparing Crystal Structures of Ca(2+) -ATPase in the Presence of Different Lipids.
FEBS J., 281, 2014
4UZA
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BU of 4uza by Molmil
STRUCTURE OF THE WNT DEACYLASE NOTUM - CRYSTAL FORM VIII - PHOSPHATE COMPLEX - 2.4A
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, PHOSPHATE ION, PROTEIN NOTUM HOMOLOG
Authors:Zebisch, M, Jones, E.Y.
Deposit date:2014-09-04
Release date:2015-02-25
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Notum Deacylates Wnt Proteins to Suppress Signalling Activity.
Nature, 519, 2015
4UZK
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BU of 4uzk by Molmil
STRUCTURE OF THE WNT DEACYLASE NOTUM FROM DROSOPHILA - CRYSTAL FORM II - 1.9A
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, NOTUM
Authors:Zebisch, M, Jones, E.Y.
Deposit date:2014-09-05
Release date:2015-02-25
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Notum Deacylates Wnt Proteins to Suppress Signalling Activity.
Nature, 519, 2015
4V4J
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BU of 4v4j by Molmil
Interactions and Dynamics of the Shine-Dalgarno Helix in the 70S Ribosome.
Descriptor: 16S RNA, 23S LARGE SUBUNIT RIBOSOMAL RNA, 30S ribosomal protein S10, ...
Authors:Korostelev, A, Trakhanov, S, Asahara, H, Laurberg, M, Noller, H.F.
Deposit date:2007-07-18
Release date:2014-07-09
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3.83 Å)
Cite:Interactions and dynamics of the Shine Dalgarno helix in the 70S ribosome.
Proc.Natl.Acad.Sci.Usa, 104, 2007
4V4Z
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BU of 4v4z by Molmil
70S Thermus thermophilous ribosome functional complex with mRNA and E- and P-site tRNAs at 4.5A.
Descriptor: 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ...
Authors:Jenner, L, Yusupova, G, Rees, B, Moras, D, Yusupov, M.
Deposit date:2006-06-27
Release date:2014-07-09
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (4.51 Å)
Cite:Structural basis for messenger RNA movement on the ribosome.
Nature, 444, 2006
4V67
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BU of 4v67 by Molmil
Crystal structure of a translation termination complex formed with release factor RF2.
Descriptor: 16S RRNA, 23S RRNA, 30S ribosomal protein S10, ...
Authors:Korostelev, A, Asahara, H, Lancaster, L, Laurberg, M, Hirschi, A, Noller, H.F.
Deposit date:2008-10-27
Release date:2014-07-09
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3 Å)
Cite:Crystal structure of a translation termination complex formed with release factor RF2.
Proc.Natl.Acad.Sci.USA, 105, 2008

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