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4UMG
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BU of 4umg by Molmil
Crystal structure of the Lin-41 filamin domain
Descriptor: PROTEIN LIN-41
Authors:Tocchini, C, Keusch, J.J, Miller, S.B, Finger, S, Gut, H, Stadler, M, Ciosk, R.
Deposit date:2014-05-16
Release date:2014-10-01
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:The Trim-Nhl Protein Lin-41 Controls the Onset of Developmental Plasticity in Caenorhabditis Elegans.
Plos Genet., 10, 2014
4UFZ
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BU of 4ufz by Molmil
Synthesis of Novel NAD Dependant DNA Ligase Inhibitors via Negishi Cross-Coupling: Development of SAR and Resistance Studies
Descriptor: 1-(2,4-dimethylbenzyl)-6-oxo-1,6-dihydropyridine-3-carboxamide, 5,7-bis(azanyl)-2-tert-butyl-4-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidine-6-carbonitrile, DNA LIGASE
Authors:Murphy-Benenato, K.E, Boriack-Sjodin, P.A, Martinez-Botella, G, Carcanague, D, Gingipali, L, Gowravaram, M, Harang, J, Hale, M, Ioannidis, G, Jahic, H, Johnstone, M, Kutschke, A, Laganas, V.A, Loch, J, Oguto, H, Patel, S.J.
Deposit date:2015-03-20
Release date:2015-10-28
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:Negishi Cross-Coupling Enabled Synthesis of Novel Nad(+)-Dependent DNA Ligase Inhibitors and Sar Development.
Bioorg.Med.Chem.Lett., 25, 2015
4UI3
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BU of 4ui3 by Molmil
Crystal structure of human tankyrase 2 in complex with TA-26
Descriptor: 2-[4-(trifluoromethyl)phenyl]-3H-quinazolin-4-one, GLYCEROL, SULFATE ION, ...
Authors:Haikarainen, T, Lehtio, L.
Deposit date:2015-03-27
Release date:2016-04-13
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure-Activity Relationships of 2-Arylquinazolin-4-Ones as Highly Selective and Potent Inhibitors of the Tankyrases.
Eur.J.Med.Chem., 118, 2016
4UIZ
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BU of 4uiz by Molmil
N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH 7-(3,4-dimethoxyphenyl)-2-(4-methanesulfonylpiperazine-1-carbonyl)-5-methyl-4H,5H-thieno-3,2-c- pyridin-4-one
Descriptor: 1,2-ETHANEDIOL, 7-(3,4-dimethoxyphenyl)-5-methyl-2-(4-methylsulfonylpiperazin-1-yl)carbonyl-thieno[3,2-c]pyridin-4-one, BROMODOMAIN-CONTAINING PROTEIN 4
Authors:Chung, C, Theodoulou, N.T, Bamborough, P, Humphreys, P.G.
Deposit date:2015-04-03
Release date:2015-04-22
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.19 Å)
Cite:The Discovery of I-Brd9, a Selective Cell Active Chemical Probe for Bromodomain Containing Protein 9 Inhibition.
J.Med.Chem., 59, 2016
4UMP
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BU of 4ump by Molmil
Structure of MELK in complex with inhibitors
Descriptor: 3-(isoquinolin-7-yl)prop-2-yn-1-ol, MATERNAL EMBRYONIC LEUCINE ZIPPER KINASE
Authors:Johnson, C.N, Berdini, V, Beke, L, Bonnet, P, Brehmer, D, Coyle, J.E, Day, P.J, Frederickson, M, Freyne, E.J.E, Gilissen, R.A.H.J, Hamlett, C.C.F, Howard, S, Meerpoel, L, McMenamin, R, Patel, S, Rees, D.C, Sharff, A, Sommen, F, Wu, T, Linders, J.T.M.
Deposit date:2014-05-20
Release date:2014-10-08
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Fragment-Based Discovery of Type I Inhibitors of Maternal Embryonic Leucine Zipper Kinase
Acs Med.Chem.Lett., 6, 2015
4UMR
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BU of 4umr by Molmil
Structure of MELK in complex with inhibitors
Descriptor: 4-fluoro-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide, MATERNAL EMBRYONIC LEUCINE ZIPPER KINASE
Authors:Johnson, C.N, Berdini, V, Beke, L, Bonnet, P, Brehmer, D, Coyle, J.E, Day, P.J, Frederickson, M, Freyne, E.J.E, Gilissen, R.A.H.J, Hamlett, C.C.F, Howard, S, Meerpoel, L, McMenamin, R, Patel, S, Rees, D.C, Sharff, A, Sommen, F, Wu, T, Linders, J.T.M.
Deposit date:2014-05-20
Release date:2014-10-08
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (3 Å)
Cite:Fragment-Based Discovery of Type I Inhibitors of Maternal Embryonic Leucine Zipper Kinase
Acs Med.Chem.Lett., 6, 2015
4UCZ
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BU of 4ucz by Molmil
X-ray structure and activities of an essential Mononegavirales L- protein domain
Descriptor: GUANOSINE, GUANOSINE-5'-TRIPHOSPHATE, RNA-DIRECTED RNA POLYMERASE L, ...
Authors:Paesen, G.C, Collet, A, Sallamand, C, Debart, F, Vasseur, J.J, Canard, B, Decroly, E, Grimes, J.M.
Deposit date:2014-12-05
Release date:2015-11-18
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.99 Å)
Cite:X-Ray Structure and Activities of an Essential Mononegavirales L-Protein Domain.
Nat.Commun., 6, 2015
4UCK
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BU of 4uck by Molmil
X-ray structure and activities of an essential Mononegavirales L- protein domain
Descriptor: RNA-DIRECTED RNA POLYMERASE L, S-ADENOSYLMETHIONINE, ZINC ION
Authors:Paesen, G.C, Collet, A, Sallamand, C, Debart, F, Vasseur, J.J, Canard, B, Decroly, E, Grimes, J.M.
Deposit date:2014-12-03
Release date:2015-11-18
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.66 Å)
Cite:X-Ray Structure and Activities of an Essential Mononegavirales L-Protein Domain.
Nat.Commun., 6, 2015
4UFQ
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BU of 4ufq by Molmil
Structure of a novel Hyaluronidase (Hyal_Sk) from Streptomyces koganeiensis.
Descriptor: CHLORIDE ION, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
Authors:Gavira, J.A, Messina, L, Pernagallo, S, Unciti-Broceta, J.D, Conejero-Muriel, M, Diaz-Mochon, J.J, Vaccaro, S, Caruso, S, Musumeci, L, Bisicchia, S, Di Pasquale, R.
Deposit date:2015-03-18
Release date:2016-04-13
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Identification and Characterization of a Bacterial Hyaluronidase and its Production in Recombinant Form.
FEBS Lett., 590, 2016
4UHA
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BU of 4uha by Molmil
Structure of bovine endothelial nitric oxide synthase heme domain in complex with 3-(2-(6-Amino-4-methylpyridin-2-yl)ethyl)-5-(methyl(2-(methylamino)ethyl)amino)benzonitrile
Descriptor: 3-(2-(6-AMINO-4-METHYLPYRIDIN-2-YL)ETHYL)-5-(METHYL(2-(METHYLAMINO)ETHYL)AMINO)BENZONITRILE, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ...
Authors:Li, H, Poulos, T.L.
Deposit date:2015-03-23
Release date:2015-07-15
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:2-Aminopyridines with a Truncated Side Chain To Improve Human Neuronal Nitric Oxide Synthase Inhibitory Potency and Selectivity.
J. Med. Chem., 58, 2015
4UPT
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BU of 4upt by Molmil
structure of bovine endothelial nitric oxide synthase heme domain in complex with n'-[4-[[(2s,4r)-4-[3-[(c-thiophen-2-ylcarbonimidoyl)amino]phenoxy]pyrrolidin-2-yl]methoxy]phenyl]thiophene-2-carboximidamide
Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, GLYCEROL, ...
Authors:Li, H, Poulos, T.L.
Deposit date:2014-06-17
Release date:2014-08-20
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Combination of Chiral Linkers with Thiophenecarboximidamide Heads to Improve the Selectivity of Inhibitors of Neuronal Nitric Oxide Synthase.
Bioorg.Med.Chem.Lett., 24, 2014
4UR3
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BU of 4ur3 by Molmil
Crystal structure of the PCE reductive dehalogenase from S. multivorans P2(1) crystal form
Descriptor: IRON/SULFUR CLUSTER, NORPSEUDO-B12, TETRACHLOROETHENE REDUCTIVE DEHALOGENASE CATALYTIC SUBUNIT
Authors:Bommer, M, Kunze, C, Fesseler, J, Schubert, T, Diekert, G, Dobbek, H.
Deposit date:2014-06-25
Release date:2014-10-15
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.235 Å)
Cite:Structural Basis for Organohalide Respiration.
Science, 346, 2014
4UXJ
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BU of 4uxj by Molmil
Leishmania major Thymidine Kinase in complex with dTTP
Descriptor: MAGNESIUM ION, THYMIDINE KINASE, THYMIDINE-5'-TRIPHOSPHATE, ...
Authors:Timm, J, Bosch-Navarrete, C, Recio, E, Nettleship, J.E, Rada, H, Gonzalez-Pacanowska, D, Wilson, K.S.
Deposit date:2014-08-22
Release date:2015-05-27
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structural and Kinetic Characterization of Thymidine Kinase from Leishmania Major.
Plos Negl Trop Dis, 9, 2015
4UR0
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BU of 4ur0 by Molmil
Crystal structure of the PCE reductive dehalogenase from S. multivorans in complex with trichloroethene
Descriptor: 1,1,2-trichloroethene, BENZAMIDINE, GLYCEROL, ...
Authors:Bommer, M, Kunze, C, Fesseler, J, Schubert, T, Diekert, G, Dobbek, H.
Deposit date:2014-06-25
Release date:2014-10-15
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.798 Å)
Cite:Structural Basis for Organohalide Respiration.
Science, 346, 2014
4UTJ
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BU of 4utj by Molmil
XenA - oxidized - Y183F variant in complex with 8-hydroxycoumarin
Descriptor: 8-HYDROXYCOUMARIN, FLAVIN MONONUCLEOTIDE, NADH:flavin oxidoreductase, ...
Authors:Werther, T, Dobbek, H.
Deposit date:2014-07-21
Release date:2015-08-05
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.07 Å)
Cite:Redox-dependent substrate-cofactor interactions in the Michaelis-complex of a flavin-dependent oxidoreductase
Nat Commun, 8, 2017
4UZG
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BU of 4uzg by Molmil
Crystal structure of group B streptococcus pilus 2b backbone protein SAK_1440
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, SURFACE PROTEIN SPB1
Authors:Malito, E, Cozzi, R, Bottomley, M.J.
Deposit date:2014-09-05
Release date:2015-05-13
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (1.06 Å)
Cite:Structure and assembly of group B streptococcus pilus 2b backbone protein.
PLoS ONE, 10, 2015
4UW8
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BU of 4uw8 by Molmil
Structure of the carboxy-terminal domain of the bacteriophage T5 L- shaped tail fiber with its intra-molecular chaperone domain
Descriptor: CITRATE ANION, L-SHAPED TAIL FIBER PROTEIN
Authors:Garcia-Doval, C, Luque, D, Caston, J.R, Otero, J.M, Llamas-Saiz, A.L, Boulanger, P, van Raaij, M.J.
Deposit date:2014-08-08
Release date:2015-08-05
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.52 Å)
Cite:Structure of the Receptor-Binding Carboxy-Terminal Domain of the Bacteriophage T5 L-Shaped Tail Fibre with and without Its Intra-Molecular Chaperone.
Viruses, 7, 2015
4UTQ
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BU of 4utq by Molmil
A structural model of the active ribosome-bound membrane protein insertase YidC
Descriptor: ATP SYNTHASE SUBUNIT C, MEMBRANE PROTEIN INSERTASE YIDC
Authors:Wickles, S, Singharoy, A, Andreani, J, Seemayer, S, Bischoff, L, Berninghausen, O, Soeding, J, Schulten, K, vanderSluis, E.O, Beckmann, R.
Deposit date:2014-07-22
Release date:2014-07-30
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (8 Å)
Cite:A Structural Model of the Active Ribosome-Bound Membrane Protein Insertase Yidc.
Elife, 3, 2014
7TAS
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BU of 7tas by Molmil
SARS-CoV-2 spike in complex with the S2K146 neutralizing antibody Fab fragment (local refinement of the RBD and S2K146)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, S2K146 Fab heavy chain, S2K146 Fab light chain, ...
Authors:Park, Y.J, Veesler, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2021-12-21
Release date:2022-01-12
Last modified:2024-10-09
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Antibody-mediated broad sarbecovirus neutralization through ACE2 molecular mimicry.
Science, 375, 2022
4USN
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BU of 4usn by Molmil
The structure of the immature HIV-1 capsid in intact virus particles at sub-nm resolution
Descriptor: P24
Authors:Schur, F.K.M, Hagen, W.J.H, Rumlova, M, Ruml, T, Mueller, B, Kraeusslich, H.-G, Briggs, J.A.G.
Deposit date:2014-07-11
Release date:2014-11-05
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (8.8 Å)
Cite:Structure of the Immature HIV-1 Capsid in Intact Virus Particles at 8.8 A Resolution.
Nature, 517, 2015
6Q4Z
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BU of 6q4z by Molmil
Structure of an inactive variant (D94N) of MPT-2, a GDP-Man-dependent mannosyltransferase from Leishmania mexicana, in complex with beta-1,2-mannobiose
Descriptor: LmxM MPT-2 D94N, beta-D-mannopyranose-(1-2)-alpha-D-mannopyranose
Authors:Sobala, L.F, Males, A, Bastidas, L.M, Ward, T, Sernee, M.F, Ralton, J.E, Nero, T.L, Kloehn, J, Viera-Lara, M, Stanton, L, Cobbold, S, Pires, D.E, Hanssen, E, Parker, M.W, Ascher, D.B, Williams, S.J, McConville, M.J, Davies, G.J.
Deposit date:2018-12-06
Release date:2019-09-25
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:A Family of Dual-Activity Glycosyltransferase-Phosphorylases Mediates Mannogen Turnover and Virulence in Leishmania Parasites.
Cell Host Microbe, 26, 2019
4WAI
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BU of 4wai by Molmil
Structural characterization of the late competence protein ComFB from Bacillus subtilis.
Descriptor: ComF operon protein 2, ZINC ION
Authors:Sysoeva, T.A, Bane, L.B, Xiao, D, Gaudet, R, Burton, B.M.
Deposit date:2014-08-29
Release date:2014-12-10
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.427 Å)
Cite:Structural characterization of the late competence protein ComFB from Bacillus subtilis.
Biosci.Rep., 35, 2015
7T3D
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BU of 7t3d by Molmil
CryoEM map of anchor 222-1C06 Fab and lateral patch 2B05 Fab binding H1 HA
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 222-1C06 mAb heavy chain, ...
Authors:Han, J, Ward, A.B.
Deposit date:2021-12-07
Release date:2022-01-12
Last modified:2022-03-30
Method:ELECTRON MICROSCOPY (3.38 Å)
Cite:Broadly neutralizing antibodies target a haemagglutinin anchor epitope.
Nature, 602, 2022
4V1A
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BU of 4v1a by Molmil
Structure of the large subunit of the mammalian mitoribosome, part 2 of 2
Descriptor: MITORIBOSOMAL PROTEIN ML37, MRPL37, MITORIBOSOMAL PROTEIN ML38, ...
Authors:Greber, B.J, Boehringer, D, Leibundgut, M, Bieri, P, Leitner, A, Schmitz, N, Aebersold, R, Ban, N.
Deposit date:2014-09-25
Release date:2014-10-08
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:The Complete Structure of the Large Subunit of the Mammalian Mitochondrial Ribosome
Nature, 515, 2014
7TAT
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BU of 7tat by Molmil
SARS-CoV-2 spike in complex with the S2K146 neutralizing antibody Fab fragment (two receptor-binding domains open)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, S2K146 Fab heavy chain, ...
Authors:Park, Y.J, Seattle Structural Genomics Center for Infectious Disease (SSGCID), Veesler, D.
Deposit date:2021-12-21
Release date:2022-01-12
Last modified:2022-02-09
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Antibody-mediated broad sarbecovirus neutralization through ACE2 molecular mimicry.
Science, 375, 2022

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