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5XXD
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BU of 5xxd by Molmil
Crystal structure of SmyD3 in complex with covalent inhibitor 1
分子名称: S-ADENOSYLMETHIONINE, Smyd3 methyltransferase, ZINC ION, ...
著者Baburajendran, N, Anna E, J.
登録日2017-07-03
公開日2018-08-29
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.314 Å)
主引用文献Crystal structure of SmyD3 in complex with covalent inhibitor 1
To Be Published
5XXJ
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Crystal structure of SmyD3 in complex with covalent inhibitor 3
分子名称: S-ADENOSYLMETHIONINE, SMYD3, ZINC ION, ...
著者Baburajendran, N, Jansson, A.E.
登録日2017-07-04
公開日2018-08-08
実験手法X-RAY DIFFRACTION (1.689 Å)
主引用文献Crystal structure of SmyD3 in complex with covalent inhibitor 3
To Be Published
5XXG
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Crystal structure of SmyD3 in complex with covalent inhibitor 2
分子名称: S-ADENOSYLMETHIONINE, SMYD3, ZINC ION, ...
著者Baburajendran, N, Jansson, E.A.
登録日2017-07-03
公開日2018-08-08
実験手法X-RAY DIFFRACTION (2.14 Å)
主引用文献Crystal structure of SmyD3 in complex with covalent inhibitor 2
To Be Published
8FDV
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BU of 8fdv by Molmil
LSD1-CoREST in complex N-formyl FAD 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2022-12-05
公開日2024-06-12
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献Distal drug resistance mutations promote covalent inhibitor-adduct Grob fragmentation in LSD1
to be published
8FJ7
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BU of 8fj7 by Molmil
LSD1-CoREST in complex with T108 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2022-12-19
公開日2024-06-26
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Distal drug resistance mutations promote covalent inhibitor-adduct Grob fragmentation in LSD1
to be published
8FQJ
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LSD1-CoREST in complex with T14, short soaking
分子名称: Lysine-specific histone demethylase 1A, REST corepressor 1, [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl (2S,3R,4R)-2,3,4-trihydroxy-5-[(1R,3S,3aS,13R)-1-hydroxy-10,11-dimethyl-3-{4-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl}-4,6-dioxo-2,3,5,6-tetrahydro-1H-benzo[g]pyrrolo[2,1-e]pteridin-8(4H)-yl]pentyl dihydrogen diphosphate
著者Caroli, J, Mattevi, A.
登録日2023-01-06
公開日2024-06-26
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Distal drug resistance mutations promote covalent inhibitor-adduct Grob fragmentation in LSD1
To be published
8FJ4
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BU of 8fj4 by Molmil
LSD1-CoREST in complex with T108, short soaking
分子名称: 3-[(1R,2S)-2-(cyclobutylamino)cyclopropyl]-N-phenylbenzamide, Lysine-specific histone demethylase 1A, REST corepressor 1, ...
著者Caroli, J, Mattevi, A.
登録日2022-12-19
公開日2024-06-26
実験手法X-RAY DIFFRACTION (2.76 Å)
主引用文献Distal drug resistance mutations promote covalent inhibitor-adduct Grob fragmentation in LSD1
to be published
8FJ6
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BU of 8fj6 by Molmil
LSD1-CoREST in complex with T108, long soaking
分子名称: Lysine-specific histone demethylase 1A, REST corepressor 1, [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl (2R,3S,4S)-5-[7,8-dimethyl-2,4-dioxo-5-{3-[3-(phenylcarbamoyl)phenyl]propanoyl}-1,3,4,5-tetrahydrobenzo[g]pteridin-10(2H)-yl]-2,3,4-trihydroxypentyl dihydrogen diphosphate
著者Caroli, J, Mattevi, A.
登録日2022-12-19
公開日2024-06-26
実験手法X-RAY DIFFRACTION (2.63 Å)
主引用文献Distal drug resistance mutations promote covalent inhibitor-adduct Grob fragmentation in LSD1
to be published
5YJO
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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
1YVL
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BU of 1yvl by Molmil
Structure of Unphosphorylated STAT1
分子名称: 5-residue peptide, GOLD ION, Signal transducer and activator of transcription 1-alpha/beta
著者Mao, X, Ren, Z, Parker, G.N, Sondermann, H, Pastorello, M.A, Wang, W, McMurray, J.S, Demeler, B, Darnell Jr, J.E, Chen, X.
登録日2005-02-16
公開日2005-03-22
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structural bases of unphosphorylated STAT1 association and receptor binding.
Mol.Cell, 17, 2005
8OVW
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BU of 8ovw by Molmil
Cryo-EM structure of CBF1-CCAN bound topologically to centromeric DNA
分子名称: C0N3 DNA, Centromere-binding protein 1, Inner kinetochore subunit AME1, ...
著者Dendooven, T.D, Zhang, Z, Yang, J, McLaughlin, S, Schwabb, J, Scheres, S, Yatskevich, S, Barford, D.
登録日2023-04-26
公開日2023-08-09
最終更新日2024-07-24
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Cryo-EM structure of the complete inner kinetochore of the budding yeast point centromere.
Sci Adv, 9, 2023
7YEA
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BU of 7yea by Molmil
Human O-GlcNAc transferase Dimer
分子名称: UDP-N-acetylglucosamine--peptide N-acetylglucosaminyltransferase 110 kDa subunit
著者Gao, H, Lu, P, Liu, Y.
登録日2022-07-05
公開日2023-07-12
最終更新日2024-01-24
実験手法ELECTRON MICROSCOPY (3.82 Å)
主引用文献Cryo-EM structure of human O-GlcNAcylation enzyme pair OGT-OGA complex.
Nat Commun, 14, 2023
4ZTH
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BU of 4zth by Molmil
Structure of human p38aMAPK-arylpyridazinylpyridine fragment complex used in inhibitor discovery
分子名称: 4-[3-(4-FLUOROPHENYL)-1H-PYRAZOL-4-YL]PYRIDINE, 6-chloro-3-phenyl-4-(pyridin-4-yl)pyridazine, BETA-MERCAPTOETHANOL, ...
著者Grum-Tokars, V.L, Roy, S.M, Watterson, D.M.
登録日2015-05-14
公開日2016-06-22
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献A Selective and Brain Penetrant p38 alpha MAPK Inhibitor Candidate for Neurologic and Neuropsychiatric Disorders That Attenuates Neuroinflammation and Cognitive Dysfunction.
J.Med.Chem., 62, 2019
7VVU
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BU of 7vvu by Molmil
NuA4 HAT module bound to the nucleosome
分子名称: CARBOXYMETHYL COENZYME *A, Chromatin modification-related protein EAF6, Chromatin modification-related protein YNG2, ...
著者Chen, Z, Qu, K.
登録日2021-11-09
公開日2022-08-10
最終更新日2022-11-16
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Structure of the NuA4 acetyltransferase complex bound to the nucleosome.
Nature, 610, 2022
6CQ0
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BU of 6cq0 by Molmil
TBK1 in Complex with Dimethyl Amino Analog of Amlexanox
分子名称: 2-amino-7-[3-(dimethylamino)propyl]-5-oxo-5H-[1]benzopyrano[2,3-b]pyridine-3-carboxylic acid, Serine/threonine-protein kinase TBK1
著者Beyett, T.S, Tesmer, J.J.G.
登録日2018-03-14
公開日2018-12-05
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (3.19 Å)
主引用文献Design, synthesis, and biological activity of substituted 2-amino-5-oxo-5H-chromeno[2,3-b]pyridine-3-carboxylic acid derivatives as inhibitors of the inflammatory kinases TBK1 and IKK epsilon for the treatment of obesity.
Bioorg. Med. Chem., 26, 2018
4WZS
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BU of 4wzs by Molmil
Crystal structure of the Mot1 N-terminal domain in complex with TBP and NC2 bound to a promoter DNA fragment
分子名称: DNA (5'-D(P*CP*CP*AP*CP*CP*CP*CP*CP*TP*TP*TP*TP*AP*TP*AP*GP*CP*CP*CP*T)-3'), DNA (5'-D(P*GP*GP*GP*CP*TP*AP*TP*AP*AP*AP*AP*GP*GP*GP*GP*GP*TP*GP*G)-3'), ECU04_1440 protein, ...
著者Butryn, A, Hopfner, K.-P.
登録日2014-11-20
公開日2015-08-26
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3.78 Å)
主引用文献Structural basis for recognition and remodeling of the TBP:DNA:NC2 complex by Mot1.
Elife, 4, 2015
7WOT
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BU of 7wot by Molmil
Cryo-EM structure of the inner ring monomer of the Saccharomyces cerevisiae nuclear pore complex
分子名称: Nucleoporin NIC96, Nucleoporin NSP1, Nucleoporin NUP157, ...
著者Li, Z.Q, Chen, S.J.B, Zhao, L, Sui, S.F.
登録日2022-01-22
公開日2022-04-13
最終更新日2024-06-26
実験手法ELECTRON MICROSCOPY (3.73 Å)
主引用文献Near-atomic structure of the inner ring of the Saccharomyces cerevisiae nuclear pore complex.
Cell Res., 32, 2022
7WOO
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BU of 7woo by Molmil
Cryo-EM structure of the inner ring protomer of the Saccharomyces cerevisiae nuclear pore complex
分子名称: Nucleoporin NIC96, Nucleoporin NSP1, Nucleoporin NUP157, ...
著者Li, Z.Q, Chen, S.J.B, Zhao, L, Sui, S.F.
登録日2022-01-22
公開日2022-04-13
最終更新日2024-06-26
実験手法ELECTRON MICROSCOPY (3.71 Å)
主引用文献Near-atomic structure of the inner ring of the Saccharomyces cerevisiae nuclear pore complex.
Cell Res., 32, 2022
6D4P
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BU of 6d4p by Molmil
Ube2D1 in complex with ubiquitin variant Ubv.D1.1
分子名称: Ubiquitin Variant Ubv.D1.1, Ubiquitin-conjugating enzyme E2 D1
著者Ceccarelli, D.F, Garg, P, Sidhu, S, Sicheri, F.
登録日2018-04-18
公開日2019-07-17
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.11 Å)
主引用文献Structural and Functional Analysis of Ubiquitin-based Inhibitors That Target the Backsides of E2 Enzymes.
J.Mol.Biol., 432, 2020
6DA1
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BU of 6da1 by Molmil
ETS1 in complex with synthetic SRR mimic
分子名称: Protein C-ets-1, SULFATE ION, serine-rich region (SRR) peptide
著者Perez-Borrajero, C, Okon, M, Lin, C.S, Scheu, K, Murphy, M.E.P, Graves, B.J, McIntosh, L.P.
登録日2018-05-01
公開日2019-01-16
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.000127 Å)
主引用文献The Biophysical Basis for Phosphorylation-Enhanced DNA-Binding Autoinhibition of the ETS1 Transcription Factor.
J. Mol. Biol., 431, 2019
7OTN
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HIV-1 REVERSE TRANSCRIPTASE COMPLEX WITH DNA AND INHIBITOR RMC-247
分子名称: (S)-2-((2-(6-amino-9H-purin-9-yl)ethyl)amino)-3-phosphonopropanoic acid, DNA (5'-D(*CP*AP*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*(MRG)P*CP*GP*CP*CP*(DDG))-3'), DNA (5'-D(P*GP*GP*TP*CP*GP*GP*CP*GP*CP*CP*CP*GP*AP*AP*CP*AP*GP*GP*GP*AP*CP*TP*G)-3'), ...
著者Martinez, S.E, Singh, A.K, Gu, W, Das, K.
登録日2021-06-10
公開日2021-12-08
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (3.4 Å)
主引用文献Exploring the dNTP -binding site of HIV-1 reverse transcriptase for inhibitor design.
Eur.J.Med.Chem., 225, 2021
7QO1
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complex of DNA ligase I and FEN1 on PCNA and DNA
分子名称: ADENOSINE MONOPHOSPHATE, DNA ligase 1, Flap endonuclease 1, ...
著者Blair, K, Tehseen, M, Raducanu, V.S, Shahid, T, Lancey, C, Cruehet, R, Hamdan, S, De Biasio, A.
登録日2021-12-23
公開日2023-01-11
最終更新日2024-07-17
実験手法ELECTRON MICROSCOPY (4.4 Å)
主引用文献Mechanism of human Lig1 regulation by PCNA in Okazaki fragment sealing.
Nat Commun, 13, 2022
6DAT
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ETS1 in complex with synthetic SRR mimic
分子名称: Protein C-ets-1, SULFATE ION, serine-rich region (SRR) peptide
著者Perez-Borrajero, C, Okon, M, Lin, C.S, Scheu, K, Murphy, M.E.P, Graves, B.J, McIntosh, L.P.
登録日2018-05-02
公開日2019-01-16
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.35002637 Å)
主引用文献The Biophysical Basis for Phosphorylation-Enhanced DNA-Binding Autoinhibition of the ETS1 Transcription Factor.
J. Mol. Biol., 431, 2019
1W7B
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Annexin A2: Does it induce membrane aggregation by a new multimeric state of the protein.
分子名称: ANNEXIN A2
著者Rosengarth, A, Luecke, H.
登録日2004-09-01
公開日2004-11-04
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.52 Å)
主引用文献Annexin A2: Does It Induce Membrane Aggregation by a New Multimeric State of the Protein
Annexins, 1, 2004
6VZ4
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Cryo-EM structure of Sth1-Arp7-Arp9-Rtt102 bound to the nucleosome in ADP Beryllium Fluoride state
分子名称: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Actin-like protein ARP9, ...
著者Leschziner, A.E, Baker, R.W.
登録日2020-02-27
公開日2020-12-02
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Structural insights into assembly and function of the RSC chromatin remodeling complex.
Nat.Struct.Mol.Biol., 28, 2021

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件を2024-09-11に公開中

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