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7OFH
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BU of 7ofh by Molmil
CryoEM structure of the outer membrane secretin pore pIV from the f1 filamentous bacteriophage.
分子名称: 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, Virion export protein
著者Conners, R, Gold, V.A.M.
登録日2021-05-05
公開日2021-11-03
最終更新日2021-11-17
実験手法ELECTRON MICROSCOPY (2.7 Å)
主引用文献CryoEM structure of the outer membrane secretin channel pIV from the f1 filamentous bacteriophage.
Nat Commun, 12, 2021
5JH3
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BU of 5jh3 by Molmil
Human cathepsin K mutant C25S
分子名称: ACETATE ION, CHLORIDE ION, Cathepsin K, ...
著者Novinec, M, Korenc, M, Lenarcic, B.
登録日2016-04-20
公開日2016-11-30
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献An allosteric site enables fine-tuning of cathepsin K by diverse effectors.
FEBS Lett., 590, 2016
7UAS
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BU of 7uas by Molmil
Discovery of Potent Orally Bioavailable WD Repeat Domain 5 (WDR5) Inhibitors Using a Pharmacophore-Based Optimization
分子名称: (5P)-2-[(S)-cyclopropyl(4-methylpyridin-2-yl)methyl]-5-[1-ethyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]-7-[(2-methyl-1H-imidazol-1-yl)methyl]-3,4-dihydroisoquinolin-1(2H)-one, WD repeat-containing protein 5
著者Zhao, B.
登録日2022-03-14
公開日2022-05-04
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.808 Å)
主引用文献Discovery of Potent Orally Bioavailable WD Repeat Domain 5 (WDR5) Inhibitors Using a Pharmacophore-Based Optimization.
J.Med.Chem., 65, 2022
6BL1
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BU of 6bl1 by Molmil
Novel Modes of Inhibition of Wild-Type IDH1: Direct Covalent Modification of His315 with Cmpd13
分子名称: (6aS,7S,9S,10aS)-7-methyl-8-oxo-10a-phenyl-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2023-10-04
実験手法X-RAY DIFFRACTION (2.02 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
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
6BL0
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BU of 6bl0 by Molmil
Novel Modes of Inhibition of Wild-Type IDH1:Direct Covalent Modification of His315 with Cmpd11
分子名称: (5aS,6S,8S,9aS)-2-(benzenecarbonyl)-6-methyl-7-oxo-9a-phenyl-4,5,5a,6,7,8,9,9a-octahydro-2H-benzo[g]indazole-8-carbonitrile, ISOCITRIC ACID, 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
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
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2023-10-04
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
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2023-10-04
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
4N49
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BU of 4n49 by Molmil
Cap-specific mRNA (nucleoside-2'-O-)-methyltransferase 1 Protein in complex with m7GpppG and SAM
分子名称: 7N-METHYL-8-HYDROGUANOSINE-5'-TRIPHOSPHATE, Cap-specific mRNA (nucleoside-2'-O-)-methyltransferase 1, S-ADENOSYLMETHIONINE, ...
著者Smietanski, M, Werener, M, Purta, E, Kaminska, K.H, Stepinski, J, Darzynkiewicz, E, Nowotny, M, Bujnicki, J.M.
登録日2013-10-08
公開日2014-01-22
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural analysis of human 2'-O-ribose methyltransferases involved in mRNA cap structure formation.
Nat Commun, 5, 2014
4N4A
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BU of 4n4a by Molmil
Cystal structure of Cap-specific mRNA (nucleoside-2'-O-)-methyltransferase 1
分子名称: Cap-specific mRNA (nucleoside-2'-O-)-methyltransferase 1
著者Smietanski, M, Werener, M, Purta, E, Kaminska, K.H, Stepinski, J, Darzynkiewicz, E, Nowotny, M, Bujnicki, J.M.
登録日2013-10-08
公開日2014-01-22
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Structural analysis of human 2'-O-ribose methyltransferases involved in mRNA cap structure formation.
Nat Commun, 5, 2014
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2024-03-13
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
4N48
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BU of 4n48 by Molmil
Cap-specific mRNA (nucleoside-2'-O-)-methyltransferase 1 Protein in complex with capped RNA fragment
分子名称: 7N-METHYL-8-HYDROGUANOSINE-5'-TRIPHOSPHATE, Cap-specific mRNA (nucleoside-2'-O-)-methyltransferase 1, S-ADENOSYLMETHIONINE, ...
著者Smietanski, M, Werener, M, Purta, E, Kaminska, K.H, Stepinski, J, Darzynkiewicz, E, Nowotny, M, Bujnicki, J.M.
登録日2013-10-08
公開日2014-01-22
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.704 Å)
主引用文献Structural analysis of human 2'-O-ribose methyltransferases involved in mRNA cap structure formation.
Nat Commun, 5, 2014
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2019-11-20
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
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2019-11-20
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
3MX9
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BU of 3mx9 by Molmil
Molecular basis of engineered meganuclease targeting of the endogenous human RAG1 locus
分子名称: CALCIUM ION, DNA (5'-D(*TP*CP*TP*GP*GP*CP*TP*GP*AP*GP*GP*TP*AP*CP*CP*TP*GP*AP*GP*AP*AP*CP*AP*A)-3'), DNA (5'-D(*TP*TP*GP*TP*TP*CP*TP*CP*AP*GP*GP*TP*AP*CP*CP*TP*CP*AP*GP*CP*CP*AP*GP*A)-3'), ...
著者Munoz, I.G, Prieto, J, Subramanian, S, Coloma, J, Montoya, G.
登録日2010-05-07
公開日2010-10-06
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Molecular basis of engineered meganuclease targeting of the endogenous human RAG1 locus.
Nucleic Acids Res., 39, 2011
3MXB
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BU of 3mxb by Molmil
Molecular basis of engineered meganuclease targeting of the endogenous human RAG1 locus
分子名称: CALCIUM ION, DNA (5'-D(*TP*CP*TP*GP*GP*CP*TP*GP*AP*GP*GP*TP*AP*CP*CP*TP*GP*AP*GP*AP*AP*CP*AP*A)-3'), DNA (5'-D(*TP*TP*GP*TP*TP*CP*TP*CP*AP*GP*GP*TP*AP*CP*CP*TP*CP*AP*GP*CP*CP*AP*GP*A)-3'), ...
著者Munoz, I.G, Prieto, J, Subramanian, S, Coloma, J, Montoya, G.
登録日2010-05-07
公開日2010-10-06
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Molecular basis of engineered meganuclease targeting of the endogenous human RAG1 locus.
Nucleic Acids Res., 39, 2011
7ZAO
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BU of 7zao by Molmil
Structure of BPP43_05035 of Brachyspira pilosicoli
分子名称: MAGNESIUM ION, Sialidase (Neuraminidase) family protein-like protein
著者Rajan, A, Gallego, P, Pelaseyed, T.
登録日2022-03-22
公開日2023-10-11
最終更新日2024-04-24
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献BPP43_05035 is a Brachyspira pilosicoli cell surface adhesin that weakens the integrity of the epithelial barrier during infection
Biorxiv, 2024
3MXA
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BU of 3mxa by Molmil
Molecular basis of engineered meganuclease targeting of the endogenous human RAG1 locus
分子名称: DNA (5'-D(*TP*CP*TP*GP*GP*CP*TP*GP*AP*GP*GP*TP*AP*C)-3'), DNA (5'-D(*TP*TP*GP*TP*TP*CP*TP*CP*AP*GP*GP*TP*AP*C)-3'), DNA (5'-D(P*CP*TP*CP*AP*GP*CP*CP*AP*GP*A)-3'), ...
著者Munoz, I.G, Prieto, J, Subramanian, S, Coloma, J, Montoya, G.
登録日2010-05-07
公開日2010-10-06
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Molecular basis of engineered meganuclease targeting of the endogenous human RAG1 locus.
Nucleic Acids Res., 39, 2011
7RXP
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BU of 7rxp by Molmil
Fab1512 in complex with the C-terminal alpha-TSR domain of P. falciparum
分子名称: Circumsporozoite protein, Fab1512 heavy chain, Fab1512 light chain
著者Pholcharee, T, Oyen, D, Wilson, I.A.
登録日2021-08-23
公開日2022-03-16
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.761 Å)
主引用文献A novel CSP C-terminal epitope targeted by an antibody with protective activity against Plasmodium falciparum.
Plos Pathog., 18, 2022
7RXI
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BU of 7rxi by Molmil
Fab234 in complex with the C-terminal alpha-TSR domain of P. falciparum
分子名称: Circumsporozoite protein, Fab234 heavy chain, Fab234 light chain
著者Pholcharee, T, Oyen, D, Wilson, I.A.
登録日2021-08-23
公開日2022-03-16
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献A novel CSP C-terminal epitope targeted by an antibody with protective activity against Plasmodium falciparum.
Plos Pathog., 18, 2022
7RXL
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BU of 7rxl by Molmil
Fab1488 in complex with the C-terminal alpha-TSR domain of P. falciparum
分子名称: Circumsporozoite protein, Fab1488 heavy chain, Fab1488 light chain
著者Pholcharee, T, Oyen, D, Wilson, I.A.
登録日2021-08-23
公開日2022-03-16
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.823 Å)
主引用文献A novel CSP C-terminal epitope targeted by an antibody with protective activity against Plasmodium falciparum.
Plos Pathog., 18, 2022
6DSO
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BU of 6dso by Molmil
Cryo-EM structure of murine AA amyloid fibril
分子名称: Serum amyloid A-2 protein
著者Loerch, S, Liberta, F, Grigorieff, N, Fandrich, M, Schmidt, M.
登録日2018-06-14
公開日2019-03-13
最終更新日2024-03-13
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Cryo-EM fibril structures from systemic AA amyloidosis reveal the species complementarity of pathological amyloids.
Nat Commun, 10, 2019
5TEG
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BU of 5teg by Molmil
Crystal structure of hSETD8 in complex with histone H4K20 norleucine mutant peptide and S-Adenosylmethionine
分子名称: Histone H4 mutant peptide with H4K20norleucine, N-lysine methyltransferase KMT5A, S-ADENOSYLMETHIONINE
著者Judge, R.A, Petros, A.M.
登録日2016-09-21
公開日2016-12-07
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Turning a Substrate Peptide into a Potent Inhibitor for the Histone Methyltransferase SETD8.
ACS Med Chem Lett, 7, 2016

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