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8OX0
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BU of 8ox0 by Molmil
Structure of apo telomeric nucleosome
分子名称: Histone H2A type 1-C, Histone H2B type 1-C/E/F/G/I, Histone H3.1, ...
著者Hu, H, van Roon, A.M.M, Ghanim, G.E, Ahsan, B, Oluwole, A, Peak-Chew, S, Robinson, C.V, Nguyen, T.H.D.
登録日2023-04-28
公開日2023-08-30
最終更新日2023-09-06
実験手法ELECTRON MICROSCOPY (2.52 Å)
主引用文献Structural basis of telomeric nucleosome recognition by shelterin factor TRF1.
Sci Adv, 9, 2023
8OX1
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Structure of TRF1core in complex with telomeric nucleosome
分子名称: Histone H2A type 1-C, Histone H2B type 1-C/E/F/G/I, Histone H3.1, ...
著者Hu, H, van Roon, A.M.M, Ghanim, G.E, Ahsan, B, Oluwole, A, Peak-Chew, S, Robinson, C.V, Nguyen, T.H.D.
登録日2023-04-28
公開日2023-08-30
最終更新日2023-09-06
実験手法ELECTRON MICROSCOPY (2.7 Å)
主引用文献Structural basis of telomeric nucleosome recognition by shelterin factor TRF1.
Sci Adv, 9, 2023
8QN7
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BU of 8qn7 by Molmil
Amyloid-beta 40 type 1 filament from the leptomeninges of individual with Alzheimer's disease and cerebral amyloid angiopathy
分子名称: Amyloid-beta A4 protein
著者Yang, Y, Murzin, A.S, Peak-Chew, S.Y, Franco, C, Newell, K.L, Ghetti, B, Goedert, M, Scheres, S.H.W.
登録日2023-09-25
公開日2023-12-13
最終更新日2024-01-31
実験手法ELECTRON MICROSCOPY (2.7 Å)
主引用文献Cryo-EM structures of A beta 40 filaments from the leptomeninges of individuals with Alzheimer's disease and cerebral amyloid angiopathy.
Acta Neuropathol Commun, 11, 2023
8QN6
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Amyloid-beta 40 type 2 filament from the leptomeninges of individual with Alzheimer's disease and cerebral amyloid angiopathy
分子名称: Amyloid-beta A4 protein
著者Yang, Y, Murzin, A.S, Peak-Chew, S.Y, Franco, C, Newell, K.L, Ghetti, B, Goedert, M, Scheres, S.H.W.
登録日2023-09-25
公開日2023-12-13
最終更新日2024-01-31
実験手法ELECTRON MICROSCOPY (2.4 Å)
主引用文献Cryo-EM structures of A beta 40 filaments from the leptomeninges of individuals with Alzheimer's disease and cerebral amyloid angiopathy.
Acta Neuropathol Commun, 11, 2023
6IJL
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BU of 6ijl by Molmil
Crystal structure of SmyD3 in complex with covalent inhibitor 5
分子名称: Histone-lysine N-methyltransferase SMYD3, S-ADENOSYLMETHIONINE, ZINC ION, ...
著者Baburajendran, N, Joy, J.
登録日2018-10-10
公開日2019-08-14
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.351 Å)
主引用文献Discovery of Irreversible Inhibitors Targeting Histone Methyltransferase, SMYD3.
Acs Med.Chem.Lett., 10, 2019
8ONS
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BU of 8ons by Molmil
TAF15 amyloid fold in atypical FTLD - Individual 1
分子名称: TATA-binding protein-associated factor 2N
著者Tetter, S, Ryskeldi-Falcon, B.
登録日2023-04-03
公開日2023-12-06
最終更新日2024-02-07
実験手法ELECTRON MICROSCOPY (1.97 Å)
主引用文献TAF15 amyloid filaments in frontotemporal lobar degeneration.
Nature, 625, 2024
3KDU
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BU of 3kdu by Molmil
Crystal structure of peroxisome proliferator-activatedeceptor alpha (PPARalpha) complex with N-3-((2-(4-Chlorophenyl)-5-methyl-1,3-oxazol-4-yl)methoxy)benzyl)-N-((4-methylphenoxy)carbonyl)glycine
分子名称: N-(3-{[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy}benzyl)-N-[(4-methylphenoxy)carbonyl]glycine, Peroxisome proliferator-activated receptor alpha
著者Muckelbauer, J.K.
登録日2009-10-23
公開日2010-04-28
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献Discovery of an oxybenzylglycine based peroxisome proliferator activated receptor alpha selective agonist 2-((3-((2-(4-chlorophenyl)-5-methyloxazol-4-yl)methoxy)benzyl)(methoxycarbonyl)amino)acetic acid (BMS-687453).
J.Med.Chem., 53, 2010
3KDT
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BU of 3kdt by Molmil
Crystal structure of peroxisome proliferator-activatedeceptor alpha (PPARalpha) complex with N-3-((2-(4-Chlorophenyl)-5-methyl-1,3-oxazol-4-yl)methoxy)benzyl)-N-(methoxycarbonyl)glycine
分子名称: N-(3-{[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy}benzyl)-N-(methoxycarbonyl)glycine, Peroxisome proliferator-activated receptor alpha
著者Muckelbauer, J.K.
登録日2009-10-23
公開日2010-04-28
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Discovery of an oxybenzylglycine based peroxisome proliferator activated receptor alpha selective agonist 2-((3-((2-(4-chlorophenyl)-5-methyloxazol-4-yl)methoxy)benzyl)(methoxycarbonyl)amino)acetic acid (BMS-687453).
J.Med.Chem., 53, 2010
6T6B
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BU of 6t6b by Molmil
Crystal structure of PPARgamma in complex with compound 16 (MF27)
分子名称: (2~{R})-2-[[6-[(2,4-dichlorophenyl)sulfonylamino]-1,3-benzothiazol-2-yl]sulfanyl]octanoic acid, Peroxisome proliferator-activated receptor gamma
著者Chaikuad, A, Ni, X, Hanke, T, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Merk, D, Knapp, S, Structural Genomics Consortium (SGC)
登録日2019-10-18
公開日2019-12-11
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献A Selective Modulator of Peroxisome Proliferator-Activated Receptor gamma with an Unprecedented Binding Mode.
J.Med.Chem., 63, 2020
4Z6G
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BU of 4z6g by Molmil
Structure of NT domain
分子名称: Microtubule-actin cross-linking factor 1, isoforms 1/2/3/5, PHOSPHATE ION
著者Yang, F, Zhang, Y.
登録日2015-04-05
公開日2016-04-06
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.654 Å)
主引用文献In vivo epidermal migration requires focal adhesion targeting of ACF7.
Nat Commun, 7, 2016
5YJO
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BU of 5yjo by Molmil
Crystal structure of SmyD3 in complex with covalent inhibitor 4
分子名称: Histone-lysine N-methyltransferase SMYD3, S-ADENOSYLMETHIONINE, ZINC ION, ...
著者Baburajendran, N, Anna E, J.
登録日2017-10-11
公開日2018-10-17
最終更新日2019-07-10
実験手法X-RAY DIFFRACTION (2.135 Å)
主引用文献Discovery of Irreversible Inhibitors Targeting Histone Methyltransferase, SMYD3.
Acs Med.Chem.Lett., 10, 2019
5X57
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BU of 5x57 by Molmil
Structure of GAR domain of ACF7
分子名称: Microtubule-actin cross-linking factor 1, isoforms 1/2/3/5, NICKEL (II) ION
著者Yang, F, Wang, T, Zhang, Y, Wu, X.Y.
登録日2017-02-15
公開日2017-07-05
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献ACF7 regulates inflammatory colitis and intestinal wound response by orchestrating tight junction dynamics.
Nat Commun, 8, 2017
2R96
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BU of 2r96 by Molmil
Crystal structure of E. coli WrbA in complex with FMN
分子名称: 1,2-ETHANEDIOL, FLAVIN MONONUCLEOTIDE, Flavoprotein WrbA
著者Kuta Smatanova, I, Wolfova, J, Brynda, J, Mesters, J.R, Grandori, R, Carey, J.
登録日2007-09-12
公開日2008-09-23
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural organization of WrbA in apo- and holoprotein crystals.
Biochim.Biophys.Acta, 1794, 2009
2R97
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Crystal structure of E. coli WrbA in complex with FMN
分子名称: FLAVIN MONONUCLEOTIDE, Flavoprotein WrbA
著者Kuta Smatanova, I, Wolfova, J, Brynda, J, Mesters, J.R, Grandori, R, Carey, J.
登録日2007-09-12
公開日2008-09-23
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural organization of WrbA in apo- and holoprotein crystals.
Biochim.Biophys.Acta, 1794, 2009
2RG1
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BU of 2rg1 by Molmil
Crystal structure of E. coli WrbA apoprotein
分子名称: CHLORIDE ION, Flavoprotein WrbA
著者Kuta Smatanova, I, Wolfova, J, Brynda, J, Lapkouski, M, Mesters, J.R, Grandori, R, Carey, J.
登録日2007-10-02
公開日2008-10-14
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structural organization of WrbA in apo- and holoprotein crystals.
Biochim.Biophys.Acta, 1794, 2009
1HG4
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BU of 1hg4 by Molmil
Ultraspiracle ligand binding domain from Drosophila melanogaster
分子名称: 2-(HEXADECANOYLOXY)-1-[(PHOSPHONOOXY)METHYL]ETHYL HEXADECANOATE, ULTRASPIRACLE
著者Schwabe, J.W.R, Clayton, G.M.
登録日2000-12-12
公開日2001-02-23
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献The Structure of the Ultraspiracle Ligand-Binding Domain Reveals a Nuclear Receptor Locked in an Inactive Conformation
Proc.Natl.Acad.Sci.USA, 98, 2001
5PGU
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BU of 5pgu by Molmil
CRYSTAL STRUCTURE OF 11BETA-HSD1 DOUBLE MUTANT (L262R, F278E) COMPLEXED WITH 2-[2-(4-fluorophenyl)-2-adamantyl]-1-(3-methoxyazetidin-1-yl)ethanone
分子名称: 2-[2-(4-fluorophenyl)-2-adamantyl]-1-(3-methoxyazetidin-1-yl)ethanone, Corticosteroid 11-beta-dehydrogenase isozyme 1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Sheriff, S.
登録日2017-02-06
公開日2017-11-01
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Discovery of Clinical Candidate 2-((2S,6S)-2-Phenyl-6-hydroxyadamantan-2-yl)-1-(3'-hydroxyazetidin-1-yl)ethanone [BMS-816336], an Orally Active Novel Selective 11 beta-Hydroxysteroid Dehydrogenase Type 1 Inhibitor.
J. Med. Chem., 60, 2017
5PGX
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CRYSTAL STRUCTURE OF 11BETA-HSD1 DOUBLE MUTANT (L262R, F278E) COMPLEXED WITH 2-(2-BENZYL-6-HYDROXYADAMANTAN-2-YL)-1-(3-HYDROXYAZETIDIN-1-YL)ETHAN-1-ONE
分子名称: 2-(2-BENZYL-6-HYDROXYADAMANTAN-2-YL)-1-(3-HYDROXYAZETIDIN-1-YL)ETHAN-1-ONE, Corticosteroid 11-beta-dehydrogenase isozyme 1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Sheriff, S.
登録日2017-02-06
公開日2017-11-01
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Discovery of Clinical Candidate 2-((2S,6S)-2-Phenyl-6-hydroxyadamantan-2-yl)-1-(3'-hydroxyazetidin-1-yl)ethanone [BMS-816336], an Orally Active Novel Selective 11 beta-Hydroxysteroid Dehydrogenase Type 1 Inhibitor.
J. Med. Chem., 60, 2017
5PGZ
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CRYSTAL STRUCTURE OF MURINE 11BETA- HYDROXYSTEROIDDEHYDROGENASE COMPLEXED WITH 2-[(5R,7S)-6-HYDROXY-2-PHENYLADAMANTAN-2-YL]-1-(3-HYDROXYAZETIDIN-1-YL)ETHAN-1-ONE (BMS-816336)
分子名称: 2-[(5R,7S)-6-HYDROXY-2-PHENYLADAMANTAN-2-YL]-1-(3-HYDROXYAZETIDIN-1-YL)ETHAN-1-ONE, Corticosteroid 11-beta-dehydrogenase isozyme 1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Sheriff, S.
登録日2017-02-06
公開日2017-11-01
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Discovery of Clinical Candidate 2-((2S,6S)-2-Phenyl-6-hydroxyadamantan-2-yl)-1-(3'-hydroxyazetidin-1-yl)ethanone [BMS-816336], an Orally Active Novel Selective 11 beta-Hydroxysteroid Dehydrogenase Type 1 Inhibitor.
J. Med. Chem., 60, 2017
5PGW
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CRYSTAL STRUCTURE OF 11BETA-HSD1 DOUBLE MUTANT (L262R, F278E) COMPLEXED WITH 2-[(1R,3S,5R,7S)-2-[4-(4-FLUOROPHENYL)PHENYL]-6-HYDROXYADAMANTAN-2-YL]-1-(3- HYDROXYAZETIDIN-1-YL)ETHAN-1-ONE
分子名称: 2-[(1R,3S,5R,7S)-2-[4-(4-FLUOROPHENYL)PHENYL]-6-HYDROXYADAMANTAN-2-YL]-1-(3-HYDROXYAZETIDIN-1-YL)ETHAN-1-ONE, Corticosteroid 11-beta-dehydrogenase isozyme 1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Sheriff, S.
登録日2017-02-06
公開日2017-11-01
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.37 Å)
主引用文献Discovery of Clinical Candidate 2-((2S,6S)-2-Phenyl-6-hydroxyadamantan-2-yl)-1-(3'-hydroxyazetidin-1-yl)ethanone [BMS-816336], an Orally Active Novel Selective 11 beta-Hydroxysteroid Dehydrogenase Type 1 Inhibitor.
J. Med. Chem., 60, 2017
5PGV
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CRYSTAL STRUCTURE OF 11BETA-HSD1 DOUBLE MUTANT (L262R, F278E) COMPLEXED WITH 1-(3-HYDROXYAZETIDIN-1-YL)-2-[(2S,5R)-2-(4-FLUOROPHENYL)-5-METHOXYADAMANTAN-2-YL]ETHAN-1-ONE
分子名称: 1-(3-HYDROXYAZETIDIN-1-YL)-2-[(2S,5R)-2-(4-FLUOROPHENYL)-5-METHOXYADAMANTAN-2-YL]ETHAN-1-ONE, Corticosteroid 11-beta-dehydrogenase isozyme 1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Sheriff, S.
登録日2017-02-06
公開日2017-11-01
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Discovery of Clinical Candidate 2-((2S,6S)-2-Phenyl-6-hydroxyadamantan-2-yl)-1-(3'-hydroxyazetidin-1-yl)ethanone [BMS-816336], an Orally Active Novel Selective 11 beta-Hydroxysteroid Dehydrogenase Type 1 Inhibitor.
J. Med. Chem., 60, 2017
5PGY
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CRYSTAL STRUCTURE OF 11BETA-HSD1 DOUBLE MUTANT (L262R, F278E) COMPLEXED WITH 2-[(5R,7S)-6-HYDROXY-2-PHENYLADAMANTAN-2-YL]-1-(3-HYDROXYAZETIDIN-1-YL)ETHAN-1-ONE (BMS-816336)
分子名称: 2-[(5R,7S)-6-HYDROXY-2-PHENYLADAMANTAN-2-YL]-1-(3-HYDROXYAZETIDIN-1-YL)ETHAN-1-ONE, Corticosteroid 11-beta-dehydrogenase isozyme 1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Sheriff, S.
登録日2017-02-06
公開日2017-11-01
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献Discovery of Clinical Candidate 2-((2S,6S)-2-Phenyl-6-hydroxyadamantan-2-yl)-1-(3'-hydroxyazetidin-1-yl)ethanone [BMS-816336], an Orally Active Novel Selective 11 beta-Hydroxysteroid Dehydrogenase Type 1 Inhibitor.
J. Med. Chem., 60, 2017
7C2S
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Helical reconstruction of Dengue virus serotype 3 complexed with Fab C10
分子名称: Heavy chain of Fab C10, envelope protein, light chain of Fab C10
著者Morrone, S, Chew, S.V, Lim, X.N, Ng, T.S, Kostyuchenko, V.A, Zhang, S, Lok, S.M.
登録日2020-05-09
公開日2020-07-08
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (10.4 Å)
主引用文献High flavivirus structural plasticity demonstrated by a non-spherical morphological variant.
Nat Commun, 11, 2020
7C2T
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Helical reconstruction of Zika virus complexed with Fab C10
分子名称: Heavy chain from Fab C10, Light chain from Fab C10, M protein, ...
著者Morrone, S, Chew, S.V, Lim, X.N, Ng, T.S, Kostyuchenko, V.A, Zhang, S, Lok, S.M.
登録日2020-05-09
公開日2020-07-08
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (9.4 Å)
主引用文献High flavivirus structural plasticity demonstrated by a non-spherical morphological variant.
Nat Commun, 11, 2020
7DWT
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Cryo-EM structure of Dengue virus serotype 1 strain WestPac 74 in complex with human antibody 1C19 Fab at 37 deg C (Class 1 particle)
分子名称: Anti-dengue virus human monoclonal antibody 1C19 Fab heavy chain, Anti-dengue virus human monoclonal antibody 1C19 Fab light chain, envelope protein
著者Fibriansah, G, Ng, T.S, Kostyuchenko, V.A, Shi, J, Lok, S.M.
登録日2021-01-18
公開日2021-02-17
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (19 Å)
主引用文献Antibody affinity versus dengue morphology influences neutralization.
Plos Pathog., 17, 2021

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