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2O3V
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BU of 2o3v by Molmil
Crystal Structure of the Homo sapiens Cytoplasmic Ribosomal Decoding Site complexed with paromamine derivative NB33
Descriptor: (2S,3R,4R,5S,6R)-3-AMINO-4-({[(2S,3R,4R,5S,6R)-3-AMINO-2-{[(1R,2R,3S,4R,6S)-4,6-DIAMINO-2,3-DIHYDROXYCYCLOHEXYL]OXY}-5-HYDROXY-6-(HYDROXYMETHYL)TETRAHYDRO-2H-PYRAN-4-YL]OXY}METHOXY)-6-(HYDROXYMETHYL)TETRAHYDRO-2H-PYRAN-2,5-DIOL, RNA (5'-R(*UP*UP*GP*CP*GP*UP*CP*GP*CP*UP*CP*CP*GP*GP*AP*AP*AP*AP*GP*UP*CP*GP*C)-3')
Authors:Kondo, J, Hainrichson, M, Nudelman, I, Shallom-Shezifi, D, Baasov, T, Westhof, E.
Deposit date:2006-12-02
Release date:2007-11-06
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Differential Selectivity of Natural and Synthetic Aminoglycosides towards the Eukaryotic and Prokaryotic Decoding A Sites.
Chembiochem, 8, 2007
2O3W
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BU of 2o3w by Molmil
Crystal Structure of the Homo sapiens Cytoplasmic Ribosomal Decoding Site in presence of paromomycin
Descriptor: PAROMOMYCIN, RNA (5'-R(*UP*UP*GP*CP*GP*UP*CP*GP*CP*UP*CP*CP*GP*GP*AP*AP*AP*AP*GP*UP*CP*GP*C)-3')
Authors:Kondo, J, Hainrichson, M, Nudelman, I, Shallom-Shezifi, D, Baasov, T, Westhof, E.
Deposit date:2006-12-02
Release date:2007-11-06
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Differential Selectivity of Natural and Synthetic Aminoglycosides towards the Eukaryotic and Prokaryotic Decoding A Sites.
Chembiochem, 8, 2007
6NZB
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BU of 6nzb by Molmil
Crystal structure of E. coli fumarase C S318A variant with closed SS Loop at 1.37 angstrom resolution
Descriptor: CITRIC ACID, Fumarate hydratase class II
Authors:Weaver, T.M, May, J.F, Bhattacharyya, B.
Deposit date:2019-02-13
Release date:2019-09-25
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.37 Å)
Cite:Closed fumarase C active-site structures reveal SS Loop residue contribution in catalysis.
Febs Lett., 594, 2020
6JVN
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BU of 6jvn by Molmil
Crystal structure of human MTH1 in complex with compound MI1020
Descriptor: 7,8-dihydro-8-oxoguanine triphosphatase, N4-methyl-6-morpholin-4-yl-pyrimidine-2,4-diamine
Authors:Peng, C, Li, Y.H, Cheng, Y.S.
Deposit date:2019-04-17
Release date:2020-10-28
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.102 Å)
Cite:Inhibitor development of MTH1 via high-throughput screening with fragment based library and MTH1 substrate binding cavity.
Bioorg.Chem., 110, 2021
6H5H
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BU of 6h5h by Molmil
A computationally designed dRP lyase domain reconstructed from two heterologous fragments
Descriptor: polb4
Authors:ElGamacy, M, Coles, M, Lupas, A.N.
Deposit date:2018-07-24
Release date:2018-12-12
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:Asymmetric protein design from conserved supersecondary structures.
J. Struct. Biol., 204, 2018
6JVS
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BU of 6jvs by Molmil
Crystal structure of human MTH1 in complex with compound MI1029
Descriptor: 7,8-dihydro-8-oxoguanine triphosphatase, N4-cyclopropyl-6-[4-(oxetan-3-yl)piperazin-1-yl]pyrimidine-2,4-diamine
Authors:Peng, C, Li, Y.H, Cheng, Y.S.
Deposit date:2019-04-17
Release date:2020-10-28
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Inhibitor development of MTH1 via high-throughput screening with fragment based library and MTH1 substrate binding cavity.
Bioorg.Chem., 110, 2021
6OI0
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BU of 6oi0 by Molmil
Crystal structure of human WDR5 in complex with L-arginine
Descriptor: ARGININE, GLYCEROL, SULFATE ION, ...
Authors:Lorton, B.M, Harijan, R.K, Burgos, E, Bonanno, J.B, Almo, S.C, Shechter, D.
Deposit date:2019-04-08
Release date:2020-04-01
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:A Binary Arginine Methylation Switch on Histone H3 Arginine 2 Regulates Its Interaction with WDR5.
Biochemistry, 59, 2020
2P4W
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BU of 2p4w by Molmil
Crystal structure of heat shock regulator from Pyrococcus furiosus
Descriptor: SULFATE ION, Transcriptional regulatory protein arsR family
Authors:Liu, W, Vierke, G, Panjikar, S, Thomm, M, Ladenstein, R.
Deposit date:2007-03-13
Release date:2007-03-27
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal Structure of the Archaeal Heat Shock Regulator from Pyrococcus furiosus: A Molecular Chimera Representing Eukaryal and Bacterial Features.
J.Mol.Biol., 369, 2007
6OIR
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BU of 6oir by Molmil
Crystal structure of MYST acetyltransferase domain in complex with inhibitor 62
Descriptor: 4-fluoro-N'-(phenylsulfonyl)[1,1'-biphenyl]-3-carbohydrazide, GLYCEROL, Histone acetyltransferase KAT8, ...
Authors:Hermans, S.J, Chung, M.C, Parker, M.W, Thomas, T, Baell, J.B.
Deposit date:2019-04-09
Release date:2019-07-03
Last modified:2019-08-21
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Discovery of Benzoylsulfonohydrazides as Potent Inhibitors of the Histone Acetyltransferase KAT6A.
J.Med.Chem., 62, 2019
1LS2
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BU of 1ls2 by Molmil
Fitting of EF-Tu and tRNA in the Low Resolution Cryo-EM Map of an EF-Tu Ternary Complex (GDP and Kirromycin) Bound to E. coli 70S Ribosome
Descriptor: Elongation Factor Tu, Phenylalanine transfer RNA
Authors:Valle, M, Sengupta, J, Swami, N.K, Grassucci, R.A, Burkhardt, N, Nierhaus, K.H, Agrawal, R.K, Frank, J.
Deposit date:2002-05-16
Release date:2002-06-26
Last modified:2024-02-14
Method:ELECTRON MICROSCOPY (16.799999 Å)
Cite:Cryo-EM reveals an active role for aminoacyl-tRNA in the accommodation process.
EMBO J., 21, 2002
8CYE
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BU of 8cye by Molmil
Cryo-EM asymmetric reconstruction of the EPEC H6 bacterial flagellar filament Normal Waveform
Descriptor: Flagellin
Authors:Kreutzberger, M.A.B, Chatterjee, S, Frankel, G, Egelman, E.H.
Deposit date:2022-05-23
Release date:2022-09-07
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Convergent evolution in the supercoiling of prokaryotic flagellar filaments.
Cell, 185, 2022
1LQC
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BU of 1lqc by Molmil
LAC REPRESSOR HEADPIECE (RESIDUES 1-56), NMR, 32 STRUCTURES
Descriptor: LAC REPRESSOR
Authors:Slijper, M, Bonvin, A.M.J.J, Boelens, R, Kaptein, R.
Deposit date:1996-08-13
Release date:1997-02-12
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Refined structure of lac repressor headpiece (1-56) determined by relaxation matrix calculations from 2D and 3D NOE data: change of tertiary structure upon binding to the lac operator.
J.Mol.Biol., 259, 1996
8CWM
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BU of 8cwm by Molmil
Cryo-EM structure of the supercoiled S. islandicus REY15A archaeal flagellar filament
Descriptor: Flagellin
Authors:Kreutzberger, M.A.B, Liu, J, Krupovic, M, Egelman, E.H.
Deposit date:2022-05-19
Release date:2022-09-07
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Convergent evolution in the supercoiling of prokaryotic flagellar filaments.
Cell, 185, 2022
6JVG
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BU of 6jvg by Molmil
Crystal structure of human MTH1 in complex with compound MI0639
Descriptor: 5-ethyl-4-methyl-6-(morpholin-4-yl)pyrimidin-2-amine, 7,8-dihydro-8-oxoguanine triphosphatase
Authors:Peng, C, Cheng, Y.S.
Deposit date:2019-04-17
Release date:2020-10-28
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.844 Å)
Cite:Inhibitor development of MTH1 via high-throughput screening with fragment based library and MTH1 substrate binding cavity.
Bioorg.Chem., 110, 2021
6JVQ
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BU of 6jvq by Molmil
Crystal structure of human MTH1 in complex with compound MI1025
Descriptor: 7,8-dihydro-8-oxoguanine triphosphatase, N4-cyclopropyl-6-morpholin-4-yl-pyrimidine-2,4-diamine
Authors:Peng, C, Li, Y.H, Cheng, Y.S.
Deposit date:2019-04-17
Release date:2020-10-28
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.197 Å)
Cite:Inhibitor development of MTH1 via high-throughput screening with fragment based library and MTH1 substrate binding cavity.
Bioorg.Chem., 110, 2021
8CXM
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BU of 8cxm by Molmil
Cryo-EM structure of the supercoiled E. coli K12 flagellar filament core, Normal waveform
Descriptor: Flagellin
Authors:Sonani, R.R, Kreutzberger, M.A.B, Sebastian, A.L, Scharf, B, Egelman, E.H.
Deposit date:2022-05-21
Release date:2022-09-07
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (3.21 Å)
Cite:Convergent evolution in the supercoiling of prokaryotic flagellar filaments.
Cell, 185, 2022
6OC0
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BU of 6oc0 by Molmil
Crystal structure of human DHODH with OSU-03012
Descriptor: Dihydroorotate dehydrogenase (quinone), mitochondrial, FLAVIN MONONUCLEOTIDE, ...
Authors:Durst, M.A, Lavie, A.
Deposit date:2019-03-21
Release date:2019-11-13
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Metabolic Modifier Screen Reveals Secondary Targets of Protein Kinase Inhibitors within Nucleotide Metabolism.
Cell Chem Biol, 27, 2020
8CVI
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BU of 8cvi by Molmil
Cryo-EM structure of the supercoiled EPEC H6 flagellar filament core Curly I waveform
Descriptor: Flagellin
Authors:Kreutzberger, M.A, Chatterjee, S, Frankel, G, Egelman, E.H.
Deposit date:2022-05-18
Release date:2022-09-07
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Convergent evolution in the supercoiling of prokaryotic flagellar filaments.
Cell, 185, 2022
6OCU
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BU of 6ocu by Molmil
HUMAN PI3KDELTA IN COMPLEX WITH COMPOUND 29
Descriptor: 5-{(3R)-3-methyl-4-[(1R,2R)-2-methylcyclopropane-1-carbonyl]piperazin-1-yl}-3-(1-methyl-1H-pyrazol-4-yl)pyrazine-2-carbonitrile, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
Authors:Lesburg, C.A, Augustin, M.A.
Deposit date:2019-03-25
Release date:2019-12-11
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.77 Å)
Cite:Discovery and optimization of heteroaryl piperazines as potent and selective PI3K delta inhibitors.
Bioorg.Med.Chem.Lett., 30, 2020
6HIX
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BU of 6hix by Molmil
Cryo-EM structure of the Trypanosoma brucei mitochondrial ribosome - This entry contains the large mitoribosomal subunit
Descriptor: 12S rRNA, 50S ribosomal protein L13, putative, ...
Authors:Ramrath, D.J.F, Niemann, M, Leibundgut, M, Bieri, P, Prange, C, Horn, K, Leitner, A, Boehringer, D, Schneider, A, Ban, N.
Deposit date:2018-08-31
Release date:2018-09-26
Last modified:2019-02-06
Method:ELECTRON MICROSCOPY (3.39 Å)
Cite:Evolutionary shift toward protein-based architecture in trypanosomal mitochondrial ribosomes.
Science, 362, 2018
6ORH
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BU of 6orh by Molmil
Crystal structure of SpGH29
Descriptor: 1,2-ETHANEDIOL, Glycoside hydrolase, alpha-L-fucopyranose-(1-2)-beta-D-galactopyranose-(1-4)-[alpha-L-fucopyranose-(1-3)]2-acetamido-2-deoxy-alpha-D-glucopyranose
Authors:Pluvinage, B, Boraston, A.B.
Deposit date:2019-04-30
Release date:2019-07-10
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Two complementary alpha-fucosidases fromStreptococcus pneumoniaepromote complete degradation of host-derived carbohydrate antigens.
J.Biol.Chem., 294, 2019
6U6Z
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BU of 6u6z by Molmil
Human SAMHD1 bound to deoxyribo(TG*TTCA)-oligonucleotide
Descriptor: DNA polymer TG(PST)TCA, Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, ZINC ION
Authors:Taylor, A.B, Yu, C.H, Ivanov, D.N.
Deposit date:2019-08-30
Release date:2020-09-02
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Nucleic acid binding by SAMHD1 contributes to the antiretroviral activity and is enhanced by the GpsN modification.
Nat Commun, 12, 2021
6OWI
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BU of 6owi by Molmil
Crystal structure of MYST acetyltransferase domain in complex with inhibitor 85
Descriptor: GLYCEROL, Histone acetyltransferase KAT8, N'-[(2-fluorophenyl)sulfonyl]benzohydrazide, ...
Authors:Hermans, S.J, Chung, M.C, Parker, M.W, Thomas, T, Baell, J.B.
Deposit date:2019-05-09
Release date:2020-04-01
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Discovery of Acylsulfonohydrazide-Derived Inhibitors of the Lysine Acetyltransferase, KAT6A, as Potent Senescence-Inducing Anti-Cancer Agents.
J.Med.Chem., 63, 2020
6JVH
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BU of 6jvh by Molmil
Crystal structure of human MTH1 in complex with compound MI0320
Descriptor: 4-amino-6-fluoroquinoline-3-carbohydrazide, 7,8-dihydro-8-oxoguanine triphosphatase
Authors:Peng, C, Cheng, Y.S.
Deposit date:2019-04-17
Release date:2020-10-28
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Inhibitor development of MTH1 via high-throughput screening with fragment based library and MTH1 substrate binding cavity.
Bioorg.Chem., 110, 2021
6JVO
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BU of 6jvo by Molmil
Crystal structure of human MTH1 in complex with compound MI1022
Descriptor: 7,8-dihydro-8-oxoguanine triphosphatase, N4-cyclopropyl-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine
Authors:Peng, C, Li, Y.H, Cheng, Y.S.
Deposit date:2019-04-17
Release date:2020-10-28
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.902 Å)
Cite:Inhibitor development of MTH1 via high-throughput screening with fragment based library and MTH1 substrate binding cavity.
Bioorg.Chem., 110, 2021

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数据于2024-09-11公开中

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