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2YBA
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Crystal structure of Nurf55 in complex with histone H3
分子名称: HISTONE H3, PROBABLE HISTONE-BINDING PROTEIN CAF1
著者Schmitges, F.W, Prusty, A.B, Faty, M, Stutzer, A, Lingaraju, G.M, Aiwazian, J, Sack, R, Hess, D, Li, L, Zhou, S, Bunker, R.D, Wirth, U, Bouwmeester, T, Bauer, A, Ly-Hartig, N, Zhao, K, Chan, H, Gu, J, Gut, H, Fischle, W, Muller, J, Thoma, N.H.
登録日2011-03-02
公開日2011-05-11
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Histone Methylation by Prc2 is Inhibited by Active Chromatin Marks
Mol.Cell, 42, 2011
5WP1
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Complex of ERK2 with 5,7-dihydroxychromone
分子名称: 5,7-dihydroxy-4H-1-benzopyran-4-one, BENZOIC ACID, Mitogen-activated protein kinase 1, ...
著者Kurinov, I, Malakhova, M.
登録日2017-08-03
公開日2018-08-08
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Multiple phytochemicals at low doses accumulatively inhibit one key protein in cancers
To Be Published
4QTA
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BU of 4qta by Molmil
Structure of human ERK2 in complex with SCH772984 revealing a novel inhibitor-induced binding pocket
分子名称: (3R)-1-(2-oxo-2-{4-[4-(pyrimidin-2-yl)phenyl]piperazin-1-yl}ethyl)-N-[3-(pyridin-4-yl)-2H-indazol-5-yl]pyrrolidine-3-carboxamide, 1,2-ETHANEDIOL, Mitogen-activated protein kinase 1, ...
著者Chaikuad, A, Savitsky, P, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
登録日2014-07-07
公開日2014-07-23
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献A unique inhibitor binding site in ERK1/2 is associated with slow binding kinetics.
Nat.Chem.Biol., 10, 2014
6IG9
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BU of 6ig9 by Molmil
Tra1 subunit from Saccharomyces cerevisiae SAGA complex
分子名称: Transcription-associated protein 1
著者Zheng, X.D, Liu, G.C, Guan, H.P, Li, H.T.
登録日2018-09-25
公開日2019-05-15
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (4.6 Å)
主引用文献Architecture ofSaccharomyces cerevisiaeSAGA complex.
Cell Discov, 5, 2019
4X2A
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BU of 4x2a by Molmil
Crystal structure of mouse glyoxalase I complexed with baicalein
分子名称: 5,6,7-trihydroxy-2-phenyl-4H-chromen-4-one, Lactoylglutathione lyase, ZINC ION
著者Zhang, H, Zhai, J, Zhang, L, Li, C, Zhao, Y, Hu, X.
登録日2014-11-26
公開日2015-09-16
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献In Vitro Inhibition of Glyoxalase І by Flavonoids: New Insights from Crystallographic Analysis.
Curr Top Med Chem, 16, 2016
5YCO
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BU of 5yco by Molmil
Complex structure of PCNA with UHRF2
分子名称: E3 ubiquitin-protein ligase UHRF2, GLYCEROL, Proliferating cell nuclear antigen, ...
著者Wu, M, Chen, W, Hang, T, Wang, C, Zhang, X, Zang, J.
登録日2017-09-07
公開日2017-11-15
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.199 Å)
主引用文献Structure insights into the molecular mechanism of the interaction between UHRF2 and PCNA.
Biochem. Biophys. Res. Commun., 494, 2017
4X61
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Crystal structure of PRMT5:MEP50 with EPZ015666 and SAM
分子名称: GLYCEROL, Methylosome protein 50, N-[(2S)-3-(3,4-dihydroisoquinolin-2(1H)-yl)-2-hydroxypropyl]-6-(oxetan-3-ylamino)pyrimidine-4-carboxamide, ...
著者Boriack-Sjodin, P.A.
登録日2014-12-06
公開日2015-04-22
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献A selective inhibitor of PRMT5 with in vivo and in vitro potency in MCL models.
Nat.Chem.Biol., 11, 2015
2ISI
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BU of 2isi by Molmil
Crystal structure of Ape1 from Homo sapiens in a new crystal form complexed with a ligand
分子名称: DNA-(apurinic or apyrimidinic site) lyase, MAGNESIUM ION, PHOSPHATE ION
著者Agarwal, R, Naidu, M.D.
登録日2006-10-17
公開日2006-10-31
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.76 Å)
主引用文献Crystal structure of hApe1 in a new crystal form with a bound ligand: implications on catalytic mechanism and its inhibition
To be Published
4QP2
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BU of 4qp2 by Molmil
Crystal Structure of ERKs in complex with 5-chlorobenzo[d]oxazol-2-amine
分子名称: 5-chloro-1,3-benzoxazol-2-amine, IMIDAZOLE, Mitogen-activated protein kinase 1
著者Yin, J, Wang, W.
登録日2014-06-22
公開日2015-09-23
最終更新日2015-12-16
実験手法X-RAY DIFFRACTION (2.23 Å)
主引用文献Fragment-based discovery of potent ERK2 pyrrolopyrazine inhibitors.
Bioorg.Med.Chem.Lett., 25, 2015
4QP8
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BU of 4qp8 by Molmil
Crystal Structure of ERK2 in complex with 2-(1H-pyrazol-4-yl)-7-(pyridin-3-yl)-5H-pyrrolo[2,3-b]pyrazine
分子名称: 2-(1H-pyrazol-4-yl)-7-(pyridin-3-yl)-5H-pyrrolo[2,3-b]pyrazine, Mitogen-activated protein kinase 1
著者Yin, J, Wang, W.
登録日2014-06-22
公開日2015-09-23
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.446 Å)
主引用文献Fragment-based discovery of potent ERK2 pyrrolopyrazine inhibitors.
Bioorg.Med.Chem.Lett., 25, 2015
8DVI
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BU of 8dvi by Molmil
T4 bacteriophage primosome with single strand DNA, State 2
分子名称: DNA (5'-D(P*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*T)-3'), DNA (70-MER), DNA primase, ...
著者Feng, X, Li, H.
登録日2022-07-29
公開日2023-06-14
最終更新日2023-08-23
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Structural basis of the T4 bacteriophage primosome assembly and primer synthesis.
Nat Commun, 14, 2023
4QYY
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BU of 4qyy by Molmil
Discovery of Novel, Dual Mechanism ERK Inhibitors by Affinity Selection Screening of an Inactive Kinase State
分子名称: (3R)-1-{2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl}-N-(3-chloro-4-hydroxyphenyl)pyrrolidine-3-carboxamide, Mitogen-activated protein kinase 1, SULFATE ION
著者Deng, Y, Shipps, G.W, Cooper, A, English, J.M, Annis, D.A, Carr, D, Nan, Y, Wang, T, Zhu, Y.H, Chuang, C, Dayananth, P, Hruza, A.W, Xiao, L, Jin, W, Kirschmeier, P, Windsor, W.T, Samatar, A.A.
登録日2014-07-26
公開日2014-11-12
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Discovery of Novel, Dual Mechanism ERK Inhibitors by Affinity Selection Screening of an Inactive Kinase.
J.Med.Chem., 57, 2014
6GYU
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BU of 6gyu by Molmil
Cryo-EM structure of the CBF3-msk complex of the budding yeast kinetochore
分子名称: Centromere DNA-binding protein complex CBF3 subunit A, Centromere DNA-binding protein complex CBF3 subunit B, Centromere DNA-binding protein complex CBF3 subunit C, ...
著者Yan, K, Zhang, Z, Yang, J, McLaughlin, S.H, Barford, D.
登録日2018-07-02
公開日2018-12-05
最終更新日2019-12-18
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Architecture of the CBF3-centromere complex of the budding yeast kinetochore.
Nat. Struct. Mol. Biol., 25, 2018
5MPD
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BU of 5mpd by Molmil
26S proteasome in presence of ATP (s1)
分子名称: 26S proteasome complex subunit SEM1, 26S proteasome regulatory subunit RPN1, 26S proteasome regulatory subunit RPN10, ...
著者Wehmer, M, Rudack, T, Beck, F, Aufderheide, A, Pfeifer, G, Plitzko, J.M, Foerster, F, Schulten, K, Baumeister, W, Sakata, E.
登録日2016-12-16
公開日2017-03-08
最終更新日2024-05-08
実験手法ELECTRON MICROSCOPY (4.1 Å)
主引用文献Structural insights into the functional cycle of the ATPase module of the 26S proteasome.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
6GYP
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BU of 6gyp by Molmil
Cryo-EM structure of the CBF3-core-Ndc10-DBD complex of the budding yeast kinetochore
分子名称: ARGININE, ASPARAGINE, Centromere DNA-binding protein complex CBF3 subunit A, ...
著者Yan, K, Zhang, Z, Yang, J, McLaughlin, S.H, Barford, D.
登録日2018-07-01
公開日2018-12-05
最終更新日2019-12-18
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Architecture of the CBF3-centromere complex of the budding yeast kinetochore.
Nat. Struct. Mol. Biol., 25, 2018
2I0H
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BU of 2i0h by Molmil
The structure of p38alpha in complex with an arylpyridazinone
分子名称: 2-(3-{(2-CHLORO-4-FLUOROPHENYL)[1-(2-CHLOROPHENYL)-6-OXO-1,6-DIHYDROPYRIDAZIN-3-YL]AMINO}PROPYL)-1H-ISOINDOLE-1,3(2H)-DIONE, GLYCEROL, Mitogen-activated protein kinase 14
著者Natarajan, S.R, Heller, S.T, Nam, K, Singh, S.B, Scapin, G, Patel, S, Thompson, J.E, Fitzgerald, C.E, O'Keefe, S.J.
登録日2006-08-10
公開日2006-10-17
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献p38 MAP Kinase Inhibitors Part 6: 2-Arylpyridazin-3-ones as templates for inhibitor design.
Bioorg.Med.Chem.Lett., 16, 2006
4S34
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BU of 4s34 by Molmil
ERK2 (I84A) in complex with AMP-PNP
分子名称: MAGNESIUM ION, Mitogen-activated protein kinase 1, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
著者Livnah, O, Karamansha, Y, Tzarum, N.
登録日2015-01-26
公開日2016-01-27
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Multiple mechanisms render Erk proteins MEK-independent
To be Published
6ISE
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BU of 6ise by Molmil
Crystal structure of AMPPNP bound CK2 alpha from C. neoformans
分子名称: 1,2-ETHANEDIOL, Casein kinase II subunit alpha, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
著者Cho, H.S.
登録日2018-11-16
公開日2019-11-20
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Crystal structure of AMPPNP bound CK2 alpha from C. neoformans
To be published
8UI9
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BU of 8ui9 by Molmil
Cryo-EM map of human clamp-clamp loader ATAD5-RFC-cracked PCNA complex in intermediate state 2
分子名称: ADENOSINE-5'-DIPHOSPHATE, ATPase family AAA domain-containing protein 5, MAGNESIUM ION, ...
著者Wang, F, He, Q, Li, H.
登録日2023-10-10
公開日2024-05-29
最終更新日2024-06-26
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献The human ATAD5 has evolved unique structural elements to function exclusively as a PCNA unloader.
Nat.Struct.Mol.Biol., 2024
8UI7
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BU of 8ui7 by Molmil
Cryo-EM map of human clmap-clamp loader ATAD5-RFC-gapped PCNA complex in intermediate state 3
分子名称: ADENOSINE-5'-DIPHOSPHATE, ATPase family AAA domain-containing protein 5, MAGNESIUM ION, ...
著者Wang, F, He, Q, Li, H.
登録日2023-10-10
公開日2024-05-29
最終更新日2024-06-26
実験手法ELECTRON MICROSCOPY (4.2 Å)
主引用文献The human ATAD5 has evolved unique structural elements to function exclusively as a PCNA unloader.
Nat.Struct.Mol.Biol., 2024
8UII
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BU of 8uii by Molmil
Cryo-EM map of human clamp-clamp loader ATAD5-RFC-closed PCNA complex in intermediate state 1
分子名称: ADENOSINE-5'-DIPHOSPHATE, ATPase family AAA domain-containing protein 5, MAGNESIUM ION, ...
著者Wang, F, He, Q, Li, H.
登録日2023-10-10
公開日2024-05-29
最終更新日2024-06-26
実験手法ELECTRON MICROSCOPY (3.04 Å)
主引用文献The human ATAD5 has evolved unique structural elements to function exclusively as a PCNA unloader.
Nat.Struct.Mol.Biol., 2024
8UI8
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BU of 8ui8 by Molmil
Cryo-EM map of human clamp-clamp loader ATAD5-RFC-two PCNAs complex in intermediate state 3
分子名称: ADENOSINE-5'-DIPHOSPHATE, ATPase family AAA domain-containing protein 5, MAGNESIUM ION, ...
著者Wang, F, He, Q, Li, H.
登録日2023-10-10
公開日2024-05-29
最終更新日2024-06-26
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献The human ATAD5 has evolved unique structural elements to function exclusively as a PCNA unloader.
Nat.Struct.Mol.Biol., 2024
4QP3
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BU of 4qp3 by Molmil
Crystal Structure of ERK2 in complex with (S)-2-((9H-purin-6-yl)amino)-3-phenylpropan-1-ol
分子名称: (2S)-3-phenyl-2-(9H-purin-6-ylamino)propan-1-ol, Mitogen-activated protein kinase 1
著者Yin, J, Wang, W.
登録日2014-06-22
公開日2015-09-23
最終更新日2015-12-16
実験手法X-RAY DIFFRACTION (2.599 Å)
主引用文献Fragment-based discovery of potent ERK2 pyrrolopyrazine inhibitors.
Bioorg.Med.Chem.Lett., 25, 2015
5EAM
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BU of 5eam by Molmil
Crystal structure of human WDR5 in complex with compound 9o
分子名称: 1,2-ETHANEDIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, SULFATE ION, ...
著者DONG, A, DOMBROVSKI, L, SMIL, D, GETLIK, M, BOLSHAN, Y, WALKER, J.R, SENISTERRA, G, PODA, G, AL-AWAR, R, SCHAPIRA, M, VEDADI, M, Bountra, C, Edwards, A.M, Arrowsmith, C.H, BROWN, P.J, WU, H, Structural Genomics Consortium (SGC)
登録日2015-10-16
公開日2015-11-04
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure-Based Optimization of a Small Molecule Antagonist of the Interaction Between WD Repeat-Containing Protein 5 (WDR5) and Mixed-Lineage Leukemia 1 (MLL1).
J. Med. Chem., 59, 2016
4QP7
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BU of 4qp7 by Molmil
Crystal Structure of ERK2 in complex with 2-(1H-pyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazine
分子名称: 2-(1H-pyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazine, Mitogen-activated protein kinase 1
著者Yin, J, Wang, W.
登録日2014-06-22
公開日2015-09-23
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.249 Å)
主引用文献Fragment-based discovery of potent ERK2 pyrrolopyrazine inhibitors.
Bioorg.Med.Chem.Lett., 25, 2015

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