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8QQD
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BU of 8qqd by Molmil
CryoEM structure of the type IV pilin PilA4 from Thermus thermophilus
分子名称: 2-acetamido-2-deoxy-alpha-D-galactopyranose, 2-acetamido-2-deoxy-alpha-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-alpha-D-galactopyranose, 7-Acetamido-5-acetimidoyl-3,5,7,9-tetradeoxy-L-glycero-L-manno-nonulosonic aci-(1-4)-alpha-D-mannopyranose-(1-3)-2-acetamido-2-deoxy-alpha-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-alpha-D-galactopyranose, ...
著者Gold, V.A.M, Neuhaus, A, Gaines, M, Isupov, M, McLaren, M.
登録日2023-10-04
公開日2024-10-16
最終更新日2024-11-06
実験手法ELECTRON MICROSCOPY (2.4 Å)
主引用文献CryoEM structure of the type IV pilin PilA4 from Thermus thermophilus
To Be Published
6QP8
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BU of 6qp8 by Molmil
Drosophila Semaphorin 2b
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CITRATE ANION, ...
著者Robinson, R.A, Rozbesky, D, Harlos, K, Siebold, C, Jones, E.Y.
登録日2019-02-13
公開日2019-08-21
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.33 Å)
主引用文献Diversity of oligomerization in Drosophila semaphorins suggests a mechanism of functional fine-tuning.
Nat Commun, 10, 2019
6QP9
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BU of 6qp9 by Molmil
Drosophila Semaphorin 1a, extracellular domains 1-2
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Semaphorin-1A
著者Rozbesky, D, Robinson, R.A, Harlos, K, Siebold, C, Jones, E.Y.
登録日2019-02-13
公開日2019-08-21
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (3.6 Å)
主引用文献Diversity of oligomerization in Drosophila semaphorins suggests a mechanism of functional fine-tuning.
Nat Commun, 10, 2019
2RGF
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BU of 2rgf by Molmil
RBD OF RAL GUANOSINE-NUCLEOTIDE EXCHANGE FACTOR (PROTEIN), NMR, 10 STRUCTURES
分子名称: RALGEF-RBD
著者Geyer, M, Herrmann, C, Wittinghofer, A, Kalbitzer, H.R.
登録日1997-02-13
公開日1998-03-04
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Structure of the Ras-binding domain of RalGEF and implications for Ras binding and signalling.
Nat.Struct.Biol., 4, 1997
7PNB
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BU of 7pnb by Molmil
Sulfolobus acidocaldarius 0406 filament.
分子名称: 6-deoxy-6-sulfo-beta-D-glucopyranose-(1-3)-[alpha-D-mannopyranose-(1-4)]2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Sulfolobus acidocaldarius 0406 filament., beta-D-glucopyranose-(1-4)-6-deoxy-6-sulfo-beta-D-glucopyranose-(1-3)-[alpha-D-mannopyranose-(1-4)][alpha-D-mannopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
著者Isupov, M.N, Gaines, M, Daum, B.
登録日2021-09-06
公開日2022-09-14
最終更新日2024-11-06
実験手法ELECTRON MICROSCOPY (3.46 Å)
主引用文献Electron cryo-microscopy reveals the structure of the archaeal thread filament.
Nat Commun, 13, 2022
4BY5
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BU of 4by5 by Molmil
Crystal structure of Drosophila Frq2
分子名称: CALCIUM ION, FI18190P1, SODIUM ION
著者Banos-Mateos, S, Chaves-Sanjuan, A, Sanchez-Barrena, M.J.
登録日2013-07-17
公開日2014-08-13
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.22 Å)
主引用文献The Guanine-Exchange Factor Ric8A Binds the Calcium Sensor Ncs-1 to Regulate Synapse Number and Probability of Release.
J.Cell.Sci., 127, 2014
5MBM
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BU of 5mbm by Molmil
Cathepsin B in complex with DARPin 8h6
分子名称: Cathepsin B, DARPin 8h6
著者Turk, D, Kramer, L, Renko, M, Turk, B.
登録日2016-11-08
公開日2017-12-20
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.76 Å)
主引用文献Cathepsin B in complex with DARPin 8h6
To Be Published
4BY4
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BU of 4by4 by Molmil
Crystal structure of Drosophila Frq2
分子名称: CALCIUM ION, FI18190P1, SODIUM ION
著者Banos-Mateos, S, Chaves-Sanjuan, A, Sanchez-Barrena, M.J.
登録日2013-07-17
公開日2014-08-13
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献The Guanine-Exchange Factor Ric8A Binds to the Ca2+ Sensor Ncs-1 to Regulate Synapse Number and Neurotransmitter Release.
J.Cell.Sci., 127, 2014
3DW0
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BU of 3dw0 by Molmil
Crystal structure of the class A carbapenemase KPC-2 at 1.6 angstrom resolution
分子名称: Class A carbapenemase KPC-2
著者Petrella, S, Ziental-Gelus, N, Mayer, C, Jarlier, V, Sougakoff, W.
登録日2008-07-21
公開日2008-07-29
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Genetic and structural insights into the dissemination potential of the extremely broad-spectrum class A beta-lactamase KPC-2 identified in an Escherichia coli strain and an Enterobacter cloacae strain isolated from the same patient in France.
Antimicrob.Agents Chemother., 52, 2008
5VZY
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BU of 5vzy by Molmil
Crystal structure of crenezumab Fab in complex with Abeta
分子名称: Amyloid beta A4 protein, Crenezumab Fab heavy chain,Immunoglobulin gamma-1 heavy chain, Crenezumab Fab light chain,Immunoblobulin light chain
著者Ultsch, M, Wang, W.
登録日2017-05-29
公開日2017-08-09
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.32 Å)
主引用文献Structure of Crenezumab Complex with Abeta Shows Loss of beta-Hairpin.
Sci Rep, 6, 2016
8E9F
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BU of 8e9f by Molmil
WD repeat-containing protein 5 complexed with 4-(7-((1H-imidazol-1-yl)methyl)-5-(1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl)-1-oxo-3,4-dihydroisoquinolin-2(1H)-yl)-6-ethyl-N-methylquinoline-8-carboxamide (compound 10)
分子名称: 6-ethyl-4-[(5P)-7-[(1H-imidazol-1-yl)methyl]-5-[1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]-1-oxo-3,4-dihydroisoquinolin-2(1H)-yl]-N-methylquinoline-8-carboxamide, BENZAMIDINE, WD repeat-containing protein 5
著者Rietz, T.A, Fesik, S.W.
登録日2022-08-26
公開日2023-01-11
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Structure-based discovery of potent WD repeat domain 5 inhibitors that demonstrate efficacy and safety in preclinical animal models.
Proc.Natl.Acad.Sci.USA, 120, 2023
3EQ4
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BU of 3eq4 by Molmil
Model of tRNA(Leu)-EF-Tu in the ribosomal pre-accommodated state revealed by cryo-EM
分子名称: 30S ribosomal protein S12, 50S ribosomal protein L11, Elongation factor Tu, ...
著者Frank, J, Li, W, Agirrezabala, X.
登録日2008-09-30
公開日2008-12-16
最終更新日2024-02-21
実験手法ELECTRON MICROSCOPY (12 Å)
主引用文献Recognition of aminoacyl-tRNA: a common molecular mechanism revealed by cryo-EM.
Embo J., 27, 2008
5VZX
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BU of 5vzx by Molmil
Crystal structure of crenezumab Fab
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Crenezumab Fab heavy chain, ...
著者Ultsch, M, Wang, W.
登録日2017-05-29
公開日2017-08-09
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.501 Å)
主引用文献Structure of Crenezumab Complex with Abeta Shows Loss of beta-Hairpin.
Sci Rep, 6, 2016
3EQ3
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BU of 3eq3 by Molmil
Model of tRNA(Trp)-EF-Tu in the ribosomal pre-accommodated state revealed by cryo-EM
分子名称: 30S ribosomal protein S12, 50S ribosomal protein L11, Elongation factor Tu, ...
著者Frank, J, Li, W, Agirrezabala, X.
登録日2008-09-30
公開日2008-12-16
最終更新日2024-02-21
実験手法ELECTRON MICROSCOPY (9 Å)
主引用文献Recognition of aminoacyl-tRNA: a common molecular mechanism revealed by cryo-EM.
Embo J., 27, 2008
6BKX
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BU of 6bkx by Molmil
Novel Modes of Inhibition of Wild-Type IDH1: Direct Covalent Modification of His315 with Cmpd1
分子名称: (6aS,7S,9R,10aS)-7,10a-dimethyl-8-oxo-2-(phenylamino)-5,6,6a,7,8,9,10,10a-octahydrobenzo[h]quinazoline-9-carbonitrile, CALCIUM ION, ISOCITRIC ACID, ...
著者Jakob, C.G, Qiu, W.
登録日2017-11-09
公開日2018-07-25
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Novel Modes of Inhibition of Wild-Type Isocitrate Dehydrogenase 1 (IDH1): Direct Covalent Modification of His315.
J. Med. Chem., 61, 2018
8RUQ
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BU of 8ruq by Molmil
Borealin N-terminus in complex with H3.T3p-nucleosome
分子名称: Borealin, DNA (147-MER), Histone H2A, ...
著者Ruza, R.R, Barr, F.A.
登録日2024-01-31
公開日2025-02-05
実験手法ELECTRON MICROSCOPY (2.29 Å)
主引用文献A pivot-tether model for nucleosome recognition by the chromosomal passenger complex
Biorxiv, 2025
8RUP
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BU of 8rup by Molmil
Chromosome Passenger Complex (CPC) localization module in complex with H3.T3p-nucleosome
分子名称: Baculoviral IAP repeat-containing protein 5, Borealin, DNA (147-MER), ...
著者Ruza, R.R, Barr, F.A.
登録日2024-01-31
公開日2025-02-05
実験手法ELECTRON MICROSCOPY (2.42 Å)
主引用文献A pivot-tether model for nucleosome recognition by the chromosomal passenger complex
Biorxiv, 2025
3I0R
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BU of 3i0r by Molmil
crystal structure of HIV reverse transcriptase in complex with inhibitor 3
分子名称: Reverse transcriptase/ribonuclease H, S-{2-[(2-chloro-4-sulfamoylphenyl)amino]-2-oxoethyl} 6-methyl-3,4-dihydroquinoline-1(2H)-carbothioate, p51 RT
著者Yan, Y, Prasad, S.
登録日2009-06-25
公開日2009-08-25
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.98 Å)
主引用文献Substituted tetrahydroquinolines as potent allosteric inhibitors of reverse transcriptase and its key mutants.
Bioorg.Med.Chem.Lett., 19, 2009
6BKZ
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BU of 6bkz by Molmil
Novel Modes of Inhibition of Wild-Type IDH1: Non-equivalent Allosteric Inhibition with Cmpd3
分子名称: (7R)-1-[(4-fluorophenyl)methyl]-N-{3-[(1R)-1-hydroxyethyl]phenyl}-7-methyl-5-(1H-pyrrole-2-carbonyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide, Isocitrate dehydrogenase [NADP] cytoplasmic, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Jakob, C.G, Qiu, W.
登録日2017-11-09
公開日2018-07-25
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Novel Modes of Inhibition of Wild-Type Isocitrate Dehydrogenase 1 (IDH1): Direct Covalent Modification of His315.
J. Med. Chem., 61, 2018
6BKY
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BU of 6bky by Molmil
Novel Binding Modes of Inhibition of Wild-Type IDH1: Allosteric Inhibition with Cmpd2
分子名称: (2S)-2-hydroxybutanedioic acid, 4,5,6,7-TETRABROMO-1H,3H-BENZIMIDAZOL-2-ONE, Isocitrate dehydrogenase [NADP] cytoplasmic, ...
著者Jakob, C.G, Qiu, W.
登録日2017-11-09
公開日2018-07-25
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.17 Å)
主引用文献Novel Modes of Inhibition of Wild-Type Isocitrate Dehydrogenase 1 (IDH1): Direct Covalent Modification of His315.
J. Med. Chem., 61, 2018
5WFS
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BU of 5wfs by Molmil
70S ribosome-EF-Tu H84A complex with GTP and near-cognate tRNA (Complex C4)
分子名称: 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ...
著者Fislage, M, Frank, J.
登録日2017-07-12
公開日2018-05-02
最終更新日2025-02-12
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Cryo-EM shows stages of initial codon selection on the ribosome by aa-tRNA in ternary complex with GTP and the GTPase-deficient EF-TuH84A.
Nucleic Acids Res., 46, 2018
5WF0
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BU of 5wf0 by Molmil
70S ribosome-EF-Tu H84A complex with GTP and near-cognate tRNA (Complex C2)
分子名称: 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ...
著者Fislage, M, Frank, J.
登録日2017-07-11
公開日2018-05-02
最終更新日2024-10-16
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Cryo-EM shows stages of initial codon selection on the ribosome by aa-tRNA in ternary complex with GTP and the GTPase-deficient EF-TuH84A.
Nucleic Acids Res., 46, 2018
6BL2
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BU of 6bl2 by Molmil
Novel Modes of Inhibition of Wild-Type IDH1: Direct Covalent Modification of His315 with Cmpd15
分子名称: 3-[(6aS,7S,9S,10aS)-9-cyano-7-methyl-8-oxo-2-(phenylamino)-6,6a,7,8,9,10-hexahydrobenzo[h]quinazolin-10a(5H)-yl]benzoic acid, CALCIUM ION, ISOCITRIC ACID, ...
著者Jakob, C.G, Qiu, W.
登録日2017-11-09
公開日2018-07-25
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献Novel Modes of Inhibition of Wild-Type Isocitrate Dehydrogenase 1 (IDH1): Direct Covalent Modification of His315.
J. Med. Chem., 61, 2018
5WFK
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BU of 5wfk by Molmil
70S ribosome-EF-Tu H84A complex with GTP and near-cognate tRNA (Complex C3)
分子名称: 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ...
著者Fislage, M, Frank, J.
登録日2017-07-12
公開日2018-05-02
最終更新日2024-10-23
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Cryo-EM shows stages of initial codon selection on the ribosome by aa-tRNA in ternary complex with GTP and the GTPase-deficient EF-TuH84A.
Nucleic Acids Res., 46, 2018
5WE6
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BU of 5we6 by Molmil
70S ribosome-EF-Tu H84A complex with GTP and cognate tRNA
分子名称: 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ...
著者Fislage, M, Frank, J.
登録日2017-07-07
公開日2018-04-25
最終更新日2025-02-12
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Cryo-EM shows stages of initial codon selection on the ribosome by aa-tRNA in ternary complex with GTP and the GTPase-deficient EF-TuH84A.
Nucleic Acids Res., 46, 2018

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