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2YBA
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BU of 2yba by Molmil
Crystal structure of Nurf55 in complex with histone H3
Descriptor: HISTONE H3, PROBABLE HISTONE-BINDING PROTEIN CAF1
Authors: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.
Deposit date:2011-03-02
Release date:2011-05-11
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Histone Methylation by Prc2 is Inhibited by Active Chromatin Marks
Mol.Cell, 42, 2011
5WP1
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BU of 5wp1 by Molmil
Complex of ERK2 with 5,7-dihydroxychromone
Descriptor: 5,7-dihydroxy-4H-1-benzopyran-4-one, BENZOIC ACID, Mitogen-activated protein kinase 1, ...
Authors:Kurinov, I, Malakhova, M.
Deposit date:2017-08-03
Release date:2018-08-08
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.4 Å)
Cite: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
Descriptor: (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, ...
Authors:Chaikuad, A, Savitsky, P, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2014-07-07
Release date:2014-07-23
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.45 Å)
Cite: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
Descriptor: Transcription-associated protein 1
Authors:Zheng, X.D, Liu, G.C, Guan, H.P, Li, H.T.
Deposit date:2018-09-25
Release date:2019-05-15
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (4.6 Å)
Cite: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
Descriptor: 5,6,7-trihydroxy-2-phenyl-4H-chromen-4-one, Lactoylglutathione lyase, ZINC ION
Authors:Zhang, H, Zhai, J, Zhang, L, Li, C, Zhao, Y, Hu, X.
Deposit date:2014-11-26
Release date:2015-09-16
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2 Å)
Cite: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
Descriptor: E3 ubiquitin-protein ligase UHRF2, GLYCEROL, Proliferating cell nuclear antigen, ...
Authors:Wu, M, Chen, W, Hang, T, Wang, C, Zhang, X, Zang, J.
Deposit date:2017-09-07
Release date:2017-11-15
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.199 Å)
Cite:Structure insights into the molecular mechanism of the interaction between UHRF2 and PCNA.
Biochem. Biophys. Res. Commun., 494, 2017
4X61
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BU of 4x61 by Molmil
Crystal structure of PRMT5:MEP50 with EPZ015666 and SAM
Descriptor: GLYCEROL, Methylosome protein 50, N-[(2S)-3-(3,4-dihydroisoquinolin-2(1H)-yl)-2-hydroxypropyl]-6-(oxetan-3-ylamino)pyrimidine-4-carboxamide, ...
Authors:Boriack-Sjodin, P.A.
Deposit date:2014-12-06
Release date:2015-04-22
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.85 Å)
Cite: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
Descriptor: DNA-(apurinic or apyrimidinic site) lyase, MAGNESIUM ION, PHOSPHATE ION
Authors:Agarwal, R, Naidu, M.D.
Deposit date:2006-10-17
Release date:2006-10-31
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.76 Å)
Cite: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
Descriptor: 5-chloro-1,3-benzoxazol-2-amine, IMIDAZOLE, Mitogen-activated protein kinase 1
Authors:Yin, J, Wang, W.
Deposit date:2014-06-22
Release date:2015-09-23
Last modified:2015-12-16
Method:X-RAY DIFFRACTION (2.23 Å)
Cite: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
Descriptor: 2-(1H-pyrazol-4-yl)-7-(pyridin-3-yl)-5H-pyrrolo[2,3-b]pyrazine, Mitogen-activated protein kinase 1
Authors:Yin, J, Wang, W.
Deposit date:2014-06-22
Release date:2015-09-23
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.446 Å)
Cite: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
Descriptor: DNA (5'-D(P*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*T)-3'), DNA (70-MER), DNA primase, ...
Authors:Feng, X, Li, H.
Deposit date:2022-07-29
Release date:2023-06-14
Last modified:2023-08-23
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite: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
Descriptor: (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
Authors: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.
Deposit date:2014-07-26
Release date:2014-11-12
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.65 Å)
Cite: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
Descriptor: Centromere DNA-binding protein complex CBF3 subunit A, Centromere DNA-binding protein complex CBF3 subunit B, Centromere DNA-binding protein complex CBF3 subunit C, ...
Authors:Yan, K, Zhang, Z, Yang, J, McLaughlin, S.H, Barford, D.
Deposit date:2018-07-02
Release date:2018-12-05
Last modified:2019-12-18
Method:ELECTRON MICROSCOPY (3 Å)
Cite: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)
Descriptor: 26S proteasome complex subunit SEM1, 26S proteasome regulatory subunit RPN1, 26S proteasome regulatory subunit RPN10, ...
Authors:Wehmer, M, Rudack, T, Beck, F, Aufderheide, A, Pfeifer, G, Plitzko, J.M, Foerster, F, Schulten, K, Baumeister, W, Sakata, E.
Deposit date:2016-12-16
Release date:2017-03-08
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (4.1 Å)
Cite: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
Descriptor: ARGININE, ASPARAGINE, Centromere DNA-binding protein complex CBF3 subunit A, ...
Authors:Yan, K, Zhang, Z, Yang, J, McLaughlin, S.H, Barford, D.
Deposit date:2018-07-01
Release date:2018-12-05
Last modified:2019-12-18
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite: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
Descriptor: 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
Authors: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.
Deposit date:2006-08-10
Release date:2006-10-17
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2 Å)
Cite: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
Descriptor: MAGNESIUM ION, Mitogen-activated protein kinase 1, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
Authors:Livnah, O, Karamansha, Y, Tzarum, N.
Deposit date:2015-01-26
Release date:2016-01-27
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite: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
Descriptor: 1,2-ETHANEDIOL, Casein kinase II subunit alpha, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
Authors:Cho, H.S.
Deposit date:2018-11-16
Release date:2019-11-20
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.8 Å)
Cite: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
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ATPase family AAA domain-containing protein 5, MAGNESIUM ION, ...
Authors:Wang, F, He, Q, Li, H.
Deposit date:2023-10-10
Release date:2024-05-29
Last modified:2024-06-26
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite: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
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ATPase family AAA domain-containing protein 5, MAGNESIUM ION, ...
Authors:Wang, F, He, Q, Li, H.
Deposit date:2023-10-10
Release date:2024-05-29
Last modified:2024-06-26
Method:ELECTRON MICROSCOPY (4.2 Å)
Cite: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
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ATPase family AAA domain-containing protein 5, MAGNESIUM ION, ...
Authors:Wang, F, He, Q, Li, H.
Deposit date:2023-10-10
Release date:2024-05-29
Last modified:2024-06-26
Method:ELECTRON MICROSCOPY (3.04 Å)
Cite: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
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ATPase family AAA domain-containing protein 5, MAGNESIUM ION, ...
Authors:Wang, F, He, Q, Li, H.
Deposit date:2023-10-10
Release date:2024-05-29
Last modified:2024-06-26
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite: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
Descriptor: (2S)-3-phenyl-2-(9H-purin-6-ylamino)propan-1-ol, Mitogen-activated protein kinase 1
Authors:Yin, J, Wang, W.
Deposit date:2014-06-22
Release date:2015-09-23
Last modified:2015-12-16
Method:X-RAY DIFFRACTION (2.599 Å)
Cite: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
Descriptor: 1,2-ETHANEDIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, SULFATE ION, ...
Authors: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)
Deposit date:2015-10-16
Release date:2015-11-04
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite: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
Descriptor: 2-(1H-pyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazine, Mitogen-activated protein kinase 1
Authors:Yin, J, Wang, W.
Deposit date:2014-06-22
Release date:2015-09-23
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.249 Å)
Cite:Fragment-based discovery of potent ERK2 pyrrolopyrazine inhibitors.
Bioorg.Med.Chem.Lett., 25, 2015

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