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4H9R
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Complex structure 5 of DAXX(E225A)/H3.3(sub5,G90A)/H4
分子名称: Death domain-associated protein 6, Histone H3.3, Histone H4, ...
著者Elsasser, S.J, Huang, H, Lewis, P.W, Chin, J.W, Allis, D.C, Patel, D.J.
登録日2012-09-24
公開日2012-10-17
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.197 Å)
主引用文献DAXX chaperone envelops an H3.3/H4 dimer dictating H3.3-specific read out
To be Published
3V79
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BU of 3v79 by Molmil
Structure of human Notch1 transcription complex including CSL, RAM, ANK, and MAML-1 on HES-1 promoter DNA sequence
分子名称: DNA 5'-D(*GP*TP*TP*AP*CP*TP*GP*TP*GP*GP*GP*AP*AP*AP*GP*AP*AP*A)-3', DNA 5'-D(*TP*TP*TP*CP*TP*TP*TP*CP*CP*CP*AP*CP*AP*GP*TP*AP*AP*C)-3', Mastermind-like protein 1, ...
著者Nam, Y, Sliz, P, Blacklow, S.
登録日2011-12-20
公開日2012-02-15
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (3.85 Å)
主引用文献Conformational Locking upon Cooperative Assembly of Notch Transcription Complexes.
Structure, 20, 2012
8BOX
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BU of 8box by Molmil
LSD1-CoREST in complex with AW4 and SNAG peptide
分子名称: Lysine-specific histone demethylase 1A, REST corepressor 1, Zinc finger protein SNAI1, ...
著者Caroli, J, Mattevi, A.
登録日2022-11-15
公開日2024-06-05
実験手法X-RAY DIFFRACTION (2.82 Å)
主引用文献Distal drug resistance mutations promote covalent inhibitor-adduct Grob fragmentation in LSD1
to be published
8BOP
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BU of 8bop by Molmil
LSD1-CoREST in complex with AW4, long soaking
分子名称: Lysine-specific histone demethylase 1A, REST corepressor 1, [[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{S})-5-[7,8-dimethyl-2,4-bis(oxidanylidene)-5-[3-[4-(3-phenylphenyl)phenyl]propanoyl]-1~{H}-benzo[g]pteridin-10-yl]-2,3,4-tris(oxidanyl)pentyl] hydrogen phosphate
著者Caroli, J, Mattevi, A.
登録日2022-11-15
公開日2024-06-05
実験手法X-RAY DIFFRACTION (2.74 Å)
主引用文献Distal drug resistance mutations promote covalent inhibitor-adduct Grob fragmentation in LSD1
to be published
3V2U
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BU of 3v2u by Molmil
Crystal structure of the yeast GAL regulon complex of the repressor, Gal80p, and the transducer, Gal3p, with galactose and ATP
分子名称: ADENOSINE-5'-TRIPHOSPHATE, GLYCEROL, Galactose/lactose metabolism regulatory protein GAL80, ...
著者Lavy, T, Kumar, P.R, He, H, Joshua-Tor, L.
登録日2011-12-12
公開日2012-02-08
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.105 Å)
主引用文献The Gal3p transducer of the GAL regulon interacts with the Gal80p repressor in its ligand-induced closed conformation.
Genes Dev., 26, 2012
7N4K
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BU of 7n4k by Molmil
6218 TCR in complex with H2-Db PA 224
分子名称: Beta-2-microglobulin, Fusion protein of T cell receptor alpha variable 21-DV12 and T-cell receptor, sp3.4 alpha chain, ...
著者Szeto, C, Gras, S.
登録日2021-06-04
公開日2022-07-20
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Covalent TCR-peptide-MHC interactions induce T cell activation and redirect T cell fate in the thymus.
Nat Commun, 13, 2022
7N5P
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6218 TCR in complex with H2-Db PA224-233 with a cysteine mutant
分子名称: Beta-2-microglobulin, Fusion protein of T cell receptor alpha variable 21-DV12 and T-cell receptor, sp3.4 alpha chain, ...
著者Szeto, C, Gras, S.
登録日2021-06-06
公開日2022-07-20
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献Covalent TCR-peptide-MHC interactions induce T cell activation and redirect T cell fate in the thymus.
Nat Commun, 13, 2022
7N5Q
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BU of 7n5q by Molmil
Peptide-MHC complex of mouse H2-Db presenting PA224 with E4C mutation
分子名称: ACETATE ION, Beta-2-microglobulin, H-2 class I histocompatibility antigen, ...
著者Szeto, C, Gras, S.
登録日2021-06-06
公開日2022-07-20
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Covalent TCR-peptide-MHC interactions induce T cell activation and redirect T cell fate in the thymus.
Nat Commun, 13, 2022
4H9P
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BU of 4h9p by Molmil
Complex structure 3 of DAXX/H3.3(sub5,G90A)/H4
分子名称: Death domain-associated protein 6, Histone H3.3, Histone H4, ...
著者Elsasser, S.J, Huang, H, Lewis, P.W, Chin, J.W, Allis, D.C, Patel, D.J.
登録日2012-09-24
公開日2012-10-17
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.198 Å)
主引用文献DAXX chaperone envelops an H3.3/H4 dimer dictating H3.3-specific read out
To be Published
6VZG
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BU of 6vzg by Molmil
Cryo-EM structure of Sth1-Arp7-Arp9-Rtt102
分子名称: ADENOSINE-5'-TRIPHOSPHATE, Actin-like protein ARP9, Actin-related protein 7, ...
著者Leschziner, A.E, Baker, R.W.
登録日2020-02-28
公開日2020-12-02
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (4.2 Å)
主引用文献Structural insights into assembly and function of the RSC chromatin remodeling complex.
Nat.Struct.Mol.Biol., 28, 2021
4EH3
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BU of 4eh3 by Molmil
Human p38 MAP kinase in complex with NP-F2 and RL87
分子名称: Mitogen-activated protein kinase 14, NARINGENIN, N~4~-cyclopropyl-2-phenylquinazoline-4,7-diamine
著者Over, B, Gruetter, C, Waldmann, H, Rauh, D.
登録日2012-04-02
公開日2012-12-05
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Natural-product-derived fragments for fragment-based ligand discovery.
Nat Chem, 5, 2012
4EHV
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BU of 4ehv by Molmil
Human p38 MAP kinase in complex with NP-F10 and RL87
分子名称: (1R,5S)-3-(4-chlorobenzoyl)-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one, Mitogen-activated protein kinase 14, N~4~-cyclopropyl-2-phenylquinazoline-4,7-diamine
著者Over, B, Gruetter, C, Waldmann, H, Rauh, D.
登録日2012-04-04
公開日2012-12-05
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Natural-product-derived fragments for fragment-based ligand discovery.
Nat Chem, 5, 2012
4EH8
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BU of 4eh8 by Molmil
Human p38 MAP kinase in complex with NP-F7 and RL87
分子名称: Mitogen-activated protein kinase 14, N~4~-cyclopropyl-2-phenylquinazoline-4,7-diamine, [3-(benzyloxy)phenyl]methanol
著者Over, B, Gruetter, C, Waldmann, H, Rauh, D.
登録日2012-04-02
公開日2012-12-05
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Natural-product-derived fragments for fragment-based ligand discovery.
Nat Chem, 5, 2012
4EH4
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BU of 4eh4 by Molmil
Human p38 MAP kinase in complex with NP-F3 and RL87
分子名称: Mitogen-activated protein kinase 14, N~4~-cyclopropyl-2-phenylquinazoline-4,7-diamine, phenyl(piperidin-1-yl)methanone
著者Over, B, Gruetter, C, Waldmann, H, Rauh, D.
登録日2012-04-02
公開日2012-12-05
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Natural-product-derived fragments for fragment-based ligand discovery.
Nat Chem, 5, 2012
6WNH
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BU of 6wnh by Molmil
Menin bound to inhibitor M-808
分子名称: Menin, methyl [(1S,2R)-2-{(1S)-2-(azetidin-1-yl)-1-(3-fluorophenyl)-1-[1-({1-[4-({1-[4-(piperidin-1-yl)butanoyl]azetidin-3-yl}sulfonyl)phenyl]azetidin-3-yl}methyl)piperidin-4-yl]ethyl}cyclopentyl]carbamate, praseodymium triacetate
著者Stuckey, J.A.
登録日2020-04-22
公開日2020-05-13
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Discovery of M-808 as a Highly Potent, Covalent, Small-Molecule Inhibitor of the Menin-MLL Interaction with StrongIn VivoAntitumor Activity.
J.Med.Chem., 63, 2020
4QQE
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BU of 4qqe by Molmil
Crystal structure of WDR5, WD repeat domain 5 in complex with compound SGC-DS-MT-0345
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, N-[2-(4-methylpiperazin-1-yl)-5-(quinolin-3-yl)phenyl]-6-oxo-4-(trifluoromethyl)-1,6-dihydropyridine-3-carboxamide, ...
著者Dong, A, Dombrovski, L, Wernimont, A, Smil, D, Getlik, M, Senisterra, G, Poda, G, Al-Awar, R, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Brown, P.J, Schapira, M, Vedadi, M, Wu, H, Structural Genomics Consortium (SGC)
登録日2014-06-27
公開日2014-07-30
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structure of WDR5, WD repeat domain 5 in complex with compound SGC-DS-MT-0345
To be Published
4X51
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BU of 4x51 by Molmil
X-ray structure of mouse interleukin-10 mutant - S1_E8del, C149Y
分子名称: Interleukin-10
著者Kuenze, G.
登録日2014-12-04
公開日2015-01-14
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献X-ray structure of mouse interleukin-10 mutant - S1_E8del, C149Y
To Be Published
6NIF
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BU of 6nif by Molmil
crystal structure of human REV7-RAN complex
分子名称: hREV7, GTP-binding nuclear protein Ran, hREV3 fusion
著者Wang, X, Pertz, L, Hua, D.P, Zhang, T.Q, Listovsky, T, Xie, W.
登録日2018-12-27
公開日2019-09-11
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.002 Å)
主引用文献REV7 has a dynamic adaptor region to accommodate small GTPase RAN/ShigellaIpaB ligands, and its activity is regulated by the RanGTP/GDP switch.
J.Biol.Chem., 294, 2019
6WQU
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BU of 6wqu by Molmil
CSL (RBPJ) bound to Notch3 RAM and DNA
分子名称: DNA (5'-D(*AP*AP*TP*CP*TP*TP*TP*CP*CP*CP*AP*CP*GP*GP*T)-3'), DNA (5'-D(*TP*TP*AP*CP*CP*GP*TP*GP*GP*GP*AP*AP*AP*GP*A)-3'), Neurogenic locus notch homolog protein 3, ...
著者Kovall, R.A, Gagliani, E, Hall, D.
登録日2020-04-29
公開日2021-03-31
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.41 Å)
主引用文献PIM-induced phosphorylation of Notch3 promotes breast cancer tumorigenicity in a CSL-independent fashion.
J.Biol.Chem., 296, 2021
6HHI
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BU of 6hhi by Molmil
Crystal Structure of AKT1 in Complex with Covalent-Allosteric AKT Inhibitor 30b
分子名称: RAC-alpha serine/threonine-protein kinase, ~{N}-[1-[[4-(5-oxidanylidene-3-phenyl-6~{H}-1,6-naphthyridin-2-yl)phenyl]methyl]piperidin-4-yl]-3-(propanoylamino)benzamide
著者Landel, I, Weisner, J, Mueller, M.P, Scheinpflug, R, Rauh, D.
登録日2018-08-28
公開日2019-02-20
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structural and chemical insights into the covalent-allosteric inhibition of the protein kinase Akt.
Chem Sci, 10, 2019
7CFP
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BU of 7cfp by Molmil
Crystal structure of WDR5 in complex with a H3Q5ser peptide
分子名称: H3Q5ser peptide, SEROTONIN, WD repeat-containing protein 5
著者Zhao, J, Zhang, X, Zang, J.
登録日2020-06-27
公開日2021-07-07
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structural insights into the recognition of histone H3Q5 serotonylation by WDR5.
Sci Adv, 7, 2021
7CFQ
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BU of 7cfq by Molmil
Crystal structure of WDR5 in complex with H3K4me3Q5ser peptide
分子名称: 1,2-ETHANEDIOL, GLYCEROL, H3K4me3Q5ser peptide, ...
著者Zhao, J, Zhang, X, Zang, J.
登録日2020-06-27
公開日2021-07-07
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structural insights into the recognition of histone H3Q5 serotonylation by WDR5.
Sci Adv, 7, 2021
5W1R
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BU of 5w1r by Molmil
Cryo-EM structure of DNAPKcs
分子名称: DNA-dependent protein kinase catalytic subunit
著者Sharif, H, Li, Y, Wu, H.
登録日2017-06-04
公開日2017-07-19
最終更新日2019-12-18
実験手法ELECTRON MICROSCOPY (4.4 Å)
主引用文献Cryo-EM structure of the DNA-PK holoenzyme.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
6HHJ
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BU of 6hhj by Molmil
Crystal Structure of AKT1 in Complex with Covalent-Allosteric AKT Inhibitor 24b
分子名称: RAC-alpha serine/threonine-protein kinase, ~{N}-[1-methyl-2-oxidanylidene-3-[1-[[4-(5-oxidanylidene-3-phenyl-6~{H}-1,6-naphthyridin-2-yl)phenyl]methyl]piperidin-4-yl]benzimidazol-5-yl]propanamide
著者Landel, I, Weisner, J, Mueller, M.P, Scheinpflug, R, Rauh, D.
登録日2018-08-28
公開日2019-02-20
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural and chemical insights into the covalent-allosteric inhibition of the protein kinase Akt.
Chem Sci, 10, 2019
6NZD
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BU of 6nzd by Molmil
Cryo-EM Structure of the Lysosomal Folliculin Complex (FLCN-FNIP2-RagA-RagC-Ragulator)
分子名称: 9-{5-O-[(S)-hydroxy{[(R)-hydroxy(thiophosphonooxy)phosphoryl]oxy}phosphoryl]-alpha-L-arabinofuranosyl}-3,9-dihydro-1H-purine-2,6-dione, Folliculin, Folliculin-interacting protein 2, ...
著者Fromm, S.A, Young, L.N, Hurley, J.H.
登録日2019-02-13
公開日2019-11-06
最終更新日2019-12-18
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Structural mechanism of a Rag GTPase activation checkpoint by the lysosomal folliculin complex.
Science, 366, 2019

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件を2024-08-07に公開中

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