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5WNV
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BU of 5wnv by Molmil
Crystal Structure of 30S ribosomal subunit from Thermus thermophilus
Descriptor: (1R,2S,3S,4R,6R)-4,6-diamino-2-{[3-O-(2,6-diamino-2,6-dideoxy-alpha-L-altropyranosyl)-beta-L-arabinofuranosyl]oxy}-3-hydroxycyclohexyl 2-amino-2-deoxy-alpha-D-allopyranoside, 16S Ribosomal RNA rRNA, 30S ribosomal protein S10, ...
Authors:DeMirci, H.
Deposit date:2017-08-01
Release date:2018-02-21
Last modified:2020-10-21
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:2'-O-methylation in mRNA disrupts tRNA decoding during translation elongation.
Nat. Struct. Mol. Biol., 25, 2018
5WNU
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BU of 5wnu by Molmil
Crystal Structure of 30S ribosomal subunit from Thermus thermophilus
Descriptor: (1R,2S,3S,4R,6R)-4,6-diamino-2-{[3-O-(2,6-diamino-2,6-dideoxy-alpha-L-altropyranosyl)-beta-L-arabinofuranosyl]oxy}-3-hydroxycyclohexyl 2-amino-2-deoxy-alpha-D-allopyranoside, 16S Ribosomal RNA rRNA, 30S ribosomal protein S10, ...
Authors:DeMirci, H.
Deposit date:2017-08-01
Release date:2018-02-21
Last modified:2020-10-21
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:2'-O-methylation in mRNA disrupts tRNA decoding during translation elongation.
Nat. Struct. Mol. Biol., 25, 2018
5WNR
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BU of 5wnr by Molmil
Crystal Structure of 30S ribosomal subunit from Thermus thermophilus
Descriptor: 16S Ribosomal RNA rRNA, 30S ribosomal protein S10, 30S ribosomal protein S11, ...
Authors:DeMirci, H.
Deposit date:2017-08-01
Release date:2018-02-21
Last modified:2020-10-21
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:2'-O-methylation in mRNA disrupts tRNA decoding during translation elongation.
Nat. Struct. Mol. Biol., 25, 2018
5WNQ
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BU of 5wnq by Molmil
Crystal Structure of 30S ribosomal subunit from Thermus thermophilus
Descriptor: 16S Ribosomal RNA rRNA, 30S ribosomal protein S10, 30S ribosomal protein S11, ...
Authors:DeMirci, H.
Deposit date:2017-08-01
Release date:2018-02-21
Last modified:2020-10-21
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:2'-O-methylation in mRNA disrupts tRNA decoding during translation elongation.
Nat. Struct. Mol. Biol., 25, 2018
7U9Y
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BU of 7u9y by Molmil
WDR5 bound to 2-(3,5-dimethoxybenzyl)-7-((2-methyl-1H-imidazol-1-yl)methyl)-5-(1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl)-3,4-dihydroisoquinolin-1(2H)-one
Descriptor: (5P)-2-[(3,5-dimethoxyphenyl)methyl]-7-[(2-methyl-1H-imidazol-1-yl)methyl]-5-[1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]-3,4-dihydroisoquinolin-1(2H)-one, BENZAMIDINE, WD repeat-containing protein 5
Authors:Rietz, T.
Deposit date:2022-03-11
Release date:2022-04-27
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Discovery of Potent Orally Bioavailable WD Repeat Domain 5 (WDR5) Inhibitors Using a Pharmacophore-Based Optimization.
J.Med.Chem., 65, 2022
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
Descriptor: (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
Authors:Zhao, B.
Deposit date:2022-03-14
Release date:2022-05-04
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.808 Å)
Cite:Discovery of Potent Orally Bioavailable WD Repeat Domain 5 (WDR5) Inhibitors Using a Pharmacophore-Based Optimization.
J.Med.Chem., 65, 2022
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)
Descriptor: 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
Authors:Rietz, T.A, Fesik, S.W.
Deposit date:2022-08-26
Release date:2023-01-11
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.55 Å)
Cite: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
5LXL
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BU of 5lxl by Molmil
NMR structure of the N-terminal domain of the Bacteriophage T5 decoration protein pb10
Descriptor: Decoration protein
Authors:Vernhes, E, Gilquin, B, Cuniasse, P, Boulanger, P, Zinn-Justin, S.
Deposit date:2016-09-22
Release date:2017-04-19
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:High affinity anchoring of the decoration protein pb10 onto the bacteriophage T5 capsid.
Sci Rep, 7, 2017
5LXK
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BU of 5lxk by Molmil
NMR structure of the C-terminal domain of the Bacteriophage T5 decoration protein pb10.
Descriptor: Decoration protein
Authors:Vernhes, E, Gilquin, B, Cuniasse, P, Boulanger, P, Zinn-Justin, S.
Deposit date:2016-09-22
Release date:2017-08-02
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:High affinity anchoring of the decoration protein pb10 onto the bacteriophage T5 capsid.
Sci Rep, 7, 2017
5NMT
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BU of 5nmt by Molmil
Dimer structure of Sortilin ectodomain crystal form 1, 2.3A
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ...
Authors:Leloup, N.O.L, Janssen, B.J.C.
Deposit date:2017-04-07
Release date:2017-11-29
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Low pH-induced conformational change and dimerization of sortilin triggers endocytosed ligand release.
Nat Commun, 8, 2017
7ZCX
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BU of 7zcx by Molmil
S-layer protein SlaA from Sulfolobus acidocaldarius at pH 4.0
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 6-deoxy-6-sulfo-beta-D-glucopyranose, ...
Authors:Gambelli, L, Isupov, M.N, Daum, B.
Deposit date:2022-03-29
Release date:2023-06-14
Last modified:2024-02-21
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structure of the two-component S-layer of the archaeon Sulfolobus acidocaldarius.
Elife, 13, 2024
6TMB
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BU of 6tmb by Molmil
VIM-2_1di-Triazole inhibitors with promising inhibitor effects against antibiotic resistance metallo-beta-lactamases
Descriptor: Beta-lactamase class B VIM-2, CHLORIDE ION, HYDROXIDE ION, ...
Authors:Leiros, H.-K.S, Christopeit, T.
Deposit date:2019-12-04
Release date:2020-09-02
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structural studies of triazole inhibitors with promising inhibitor effects against antibiotic resistance metallo-beta-lactamases.
Bioorg.Med.Chem., 28, 2020
6TMC
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BU of 6tmc by Molmil
VIM-2_1dh-Triazole inhibitors with promising inhibitor effects against antibiotic resistance metallo-beta-lactamases
Descriptor: 4-[2-(phenylsulfonyl)ethyl]-5-(propan-2-yloxymethyl)-1~{H}-1,2,3-triazole, Beta-lactamase class B VIM-2, HYDROXIDE ION, ...
Authors:Leiros, H.-K.S, Christopeit, T.
Deposit date:2019-12-04
Release date:2020-07-22
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structural studies of triazole inhibitors with promising inhibitor effects against antibiotic resistance metallo-beta-lactamases.
Bioorg.Med.Chem., 28, 2020
4BY5
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BU of 4by5 by Molmil
Crystal structure of Drosophila Frq2
Descriptor: CALCIUM ION, FI18190P1, SODIUM ION
Authors:Banos-Mateos, S, Chaves-Sanjuan, A, Sanchez-Barrena, M.J.
Deposit date:2013-07-17
Release date:2014-08-13
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.22 Å)
Cite:The Guanine-Exchange Factor Ric8A Binds the Calcium Sensor Ncs-1 to Regulate Synapse Number and Probability of Release.
J.Cell.Sci., 127, 2014
6E6J
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BU of 6e6j by Molmil
BRD2_Bromodomain2 complex with inhibitor 744
Descriptor: Bromodomain-containing protein 2, N-ethyl-4-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-6-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
Authors:Longenecker, K.L, Park, C.H, Bigelow, L.
Deposit date:2018-07-25
Release date:2019-07-31
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.44 Å)
Cite:Selective inhibition of the BD2 bromodomain of BET proteins in prostate cancer.
Nature, 578, 2020
5NIQ
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BU of 5niq by Molmil
exendin-4 variant with dual GLP-1 / glucagon receptor activity
Descriptor: Exendin-4, N-hexadecanoyl-L-glutamic acid
Authors:Evers, A, Kurz, M.
Deposit date:2017-03-24
Release date:2018-02-28
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Design of Novel Exendin-Based Dual Glucagon-like Peptide 1 (GLP-1)/Glucagon Receptor Agonists.
J.Med.Chem., 60, 2017
4BY4
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BU of 4by4 by Molmil
Crystal structure of Drosophila Frq2
Descriptor: CALCIUM ION, FI18190P1, SODIUM ION
Authors:Banos-Mateos, S, Chaves-Sanjuan, A, Sanchez-Barrena, M.J.
Deposit date:2013-07-17
Release date:2014-08-13
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The Guanine-Exchange Factor Ric8A Binds to the Ca2+ Sensor Ncs-1 to Regulate Synapse Number and Neurotransmitter Release.
J.Cell.Sci., 127, 2014
6TMA
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BU of 6tma by Molmil
VIM-2_1dj- Triazole inhibitors with promising inhibitor effects against antibiotic resistance metallo-beta-lactamases
Descriptor: Beta-lactamase class B VIM-2, CHLORIDE ION, HYDROXIDE ION, ...
Authors:Leiros, H.-K.S.
Deposit date:2019-12-03
Release date:2020-09-02
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structural studies of triazole inhibitors with promising inhibitor effects against antibiotic resistance metallo-beta-lactamases.
Bioorg.Med.Chem., 28, 2020
7RXP
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BU of 7rxp by Molmil
Fab1512 in complex with the C-terminal alpha-TSR domain of P. falciparum
Descriptor: Circumsporozoite protein, Fab1512 heavy chain, Fab1512 light chain
Authors:Pholcharee, T, Oyen, D, Wilson, I.A.
Deposit date:2021-08-23
Release date:2022-03-16
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.761 Å)
Cite:A novel CSP C-terminal epitope targeted by an antibody with protective activity against Plasmodium falciparum.
Plos Pathog., 18, 2022
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
Descriptor: 7N-METHYL-8-HYDROGUANOSINE-5'-TRIPHOSPHATE, Cap-specific mRNA (nucleoside-2'-O-)-methyltransferase 1, S-ADENOSYLMETHIONINE, ...
Authors:Smietanski, M, Werener, M, Purta, E, Kaminska, K.H, Stepinski, J, Darzynkiewicz, E, Nowotny, M, Bujnicki, J.M.
Deposit date:2013-10-08
Release date:2014-01-22
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural analysis of human 2'-O-ribose methyltransferases involved in mRNA cap structure formation.
Nat Commun, 5, 2014
7RXI
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BU of 7rxi by Molmil
Fab234 in complex with the C-terminal alpha-TSR domain of P. falciparum
Descriptor: Circumsporozoite protein, Fab234 heavy chain, Fab234 light chain
Authors:Pholcharee, T, Oyen, D, Wilson, I.A.
Deposit date:2021-08-23
Release date:2022-03-16
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.15 Å)
Cite: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
Descriptor: Circumsporozoite protein, Fab1488 heavy chain, Fab1488 light chain
Authors:Pholcharee, T, Oyen, D, Wilson, I.A.
Deposit date:2021-08-23
Release date:2022-03-16
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.823 Å)
Cite:A novel CSP C-terminal epitope targeted by an antibody with protective activity against Plasmodium falciparum.
Plos Pathog., 18, 2022
7RXJ
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BU of 7rxj by Molmil
Fab236 in complex with the C-terminal alpha-TSR domain of P. falciparum
Descriptor: Circumsporozoite protein, Fab236 heavy chain, Fab236 light chain
Authors:Pholcharee, T, Oyen, D, Wilson, I.A.
Deposit date:2021-08-23
Release date:2022-03-16
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.345 Å)
Cite:A novel CSP C-terminal epitope targeted by an antibody with protective activity against Plasmodium falciparum.
Plos Pathog., 18, 2022
7S0X
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BU of 7s0x by Molmil
Fab352 in complex with the C-terminal alphaTSR domain of P. falciparum
Descriptor: Circumsporozoite protein, Fab352 heavy chain, Fab352 light chain
Authors:Pholcharee, T, Oyen, D, Wilson, I.A.
Deposit date:2021-08-31
Release date:2022-03-16
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:A novel CSP C-terminal epitope targeted by an antibody with protective activity against Plasmodium falciparum.
Plos Pathog., 18, 2022
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
Descriptor: 7N-METHYL-8-HYDROGUANOSINE-5'-TRIPHOSPHATE, Cap-specific mRNA (nucleoside-2'-O-)-methyltransferase 1, S-ADENOSYLMETHIONINE, ...
Authors:Smietanski, M, Werener, M, Purta, E, Kaminska, K.H, Stepinski, J, Darzynkiewicz, E, Nowotny, M, Bujnicki, J.M.
Deposit date:2013-10-08
Release date:2014-01-22
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.704 Å)
Cite:Structural analysis of human 2'-O-ribose methyltransferases involved in mRNA cap structure formation.
Nat Commun, 5, 2014

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數據於2024-07-24公開中

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