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2IG0
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BU of 2ig0 by Molmil
Structure of 53BP1/methylated histone peptide complex
分子名称: Dimethylated Histone H4-K20 peptide, SULFATE ION, Tumor suppressor p53-binding protein 1
著者Mer, G.
登録日2006-09-22
公開日2007-01-02
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural Basis for the Methylation State-Specific Recognition of Histone H4-K20 by 53BP1 and Crb2 in DNA Repair.
Cell(Cambridge,Mass.), 127, 2006
7QDL
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BU of 7qdl by Molmil
N-TERMINAL BROMODOMAIN OF HUMAN BRD4 with I-BET567
分子名称: (2S,4R)-1-acetyl-4-((5-chloropyrimidin-2-yl)amino)-2-methyl-1,2,3,4-tetrahydroquinoline-6-carboxamide, 1,2-ETHANEDIOL, Bromodomain-containing protein 4
著者Chung, C.
登録日2021-11-27
公開日2022-12-14
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献Design, Synthesis, and Characterization of I-BET567, a Pan-Bromodomain and Extra Terminal (BET) Bromodomain Oral Candidate.
J.Med.Chem., 65, 2022
8K4L
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BU of 8k4l by Molmil
Crystal structure of NRF1 homodimer in complex with DNA
分子名称: DNA (14-MER), GLYCEROL, Nuclear respiratory factor 1
著者Liu, K, Li, W.F, Min, J.R.
登録日2023-07-19
公開日2023-12-06
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Molecular mechanism of specific DNA sequence recognition by NRF1.
Nucleic Acids Res., 52, 2024
2JVN
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BU of 2jvn by Molmil
Domain C of human PARP-1
分子名称: Poly [ADP-ribose] polymerase 1, ZINC ION
著者Hoffman, D, Tao, Z, Liu, H.
登録日2007-09-24
公開日2008-05-13
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Domain C of human poly(ADP-ribose) polymerase-1 is important for enzyme activity and contains a novel zinc-ribbon motif.
Biochemistry, 47, 2008
7QNZ
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BU of 7qnz by Molmil
human Lig1-DNA-PCNA complex reconstituted in absence of ATP
分子名称: ADENOSINE MONOPHOSPHATE, DNA ligase 1, Oligo13P, ...
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 (4.58 Å)
主引用文献Mechanism of human Lig1 regulation by PCNA in Okazaki fragment sealing.
Nat Commun, 13, 2022
2JHW
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BU of 2jhw by Molmil
CRYSTAL STRUCTURE OF RHOGDI E155A, E157A MUTANT
分子名称: RHO GDP-DISSOCIATION INHIBITOR 1, SULFATE ION
著者Cooper, D.R, Grelewska, K, Derewenda, Z.S.
登録日2007-02-23
公開日2007-05-08
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Protein Crystallization by Surface Entropy Reduction: Optimization of the Ser Strategy
Acta Crystallogr.,Sect.D, 63, 2007
8OOI
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BU of 8ooi by Molmil
Full composite cryo-EM map of p97/VCP in ADP.Pi state
分子名称: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
著者Cheng, T.C, Sakata, E, Schuetz, A.K.
登録日2023-04-05
公開日2024-01-31
最終更新日2024-03-13
実験手法ELECTRON MICROSCOPY (2.61 Å)
主引用文献Characterizing ATP processing by the AAA+ protein p97 at the atomic level.
Nat.Chem., 16, 2024
7AUC
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BU of 7auc by Molmil
Crystal structure of an engineered helicase domain construct for human Bloom syndrome protein (BLM)
分子名称: 1,2-ETHANEDIOL, ACETATE ION, ADENOSINE-5'-DIPHOSPHATE, ...
著者Chen, X, Oliver, A.W.
登録日2020-11-02
公開日2020-12-16
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.53 Å)
主引用文献Uncovering an allosteric mode of action for a selective inhibitor of human Bloom syndrome protein.
Elife, 10, 2021
2JHU
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BU of 2jhu by Molmil
CRYSTAL STRUCTURE OF RHOGDI E154A,E155A MUTANT
分子名称: RHO GDP-DISSOCIATION INHIBITOR 1, SULFATE ION
著者Cooper, D.R, Pinkowska, M, Derewenda, Z.S.
登録日2007-02-23
公開日2007-05-08
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Protein Crystallization by Surface Entropy Reduction: Optimization of the Ser Strategy
Acta Crystallogr.,Sect.D, 63, 2007
7QXX
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BU of 7qxx by Molmil
Proteasome-ZFAND5 Complex Z+E state
分子名称: 26S protease regulatory subunit 6A, 26S protease regulatory subunit 6B, 26S protease regulatory subunit 7, ...
著者Zhu, Y, Lu, Y.
登録日2022-01-27
公開日2023-02-08
実験手法ELECTRON MICROSCOPY (4.4 Å)
主引用文献Mechanism of 26S proteasome activation by the 19S-interacting protein ZFAND5
To Be Published
7QXN
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BU of 7qxn by Molmil
Proteasome-ZFAND5 Complex Z+A state
分子名称: 26S protease regulatory subunit 4, 26S protease regulatory subunit 6A, 26S protease regulatory subunit 6B, ...
著者Zhu, Y, Lu, Y.
登録日2022-01-26
公開日2023-02-08
最終更新日2024-07-17
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献Mechanism of 26S proteasome activation by the 19S-interacting protein ZFAND5
To Be Published
7QXP
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BU of 7qxp by Molmil
Proteasome-ZFAND5 Complex Z+B state
分子名称: 26S protease regulatory subunit 4, 26S protease regulatory subunit 6A, 26S protease regulatory subunit 6B, ...
著者Zhu, Y, Lu, Y.
登録日2022-01-26
公開日2023-02-08
最終更新日2024-07-17
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Mechanism of 26S proteasome activation by the 19S-interacting protein ZFAND5
To Be Published
7QYB
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BU of 7qyb by Molmil
Proteasome-ZFAND5 Complex Z-C state
分子名称: 26S protease regulatory subunit 4, 26S protease regulatory subunit 6A, 26S protease regulatory subunit 6B, ...
著者Zhu, Y, Lu, Y.
登録日2022-01-27
公開日2023-02-08
実験手法ELECTRON MICROSCOPY (4.1 Å)
主引用文献Mechanism of 26S proteasome activation by the 19S-interacting protein ZFAND5
To Be Published
7QXU
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BU of 7qxu by Molmil
Proteasome-ZFAND5 Complex Z+C state
分子名称: 26S protease regulatory subunit 6A, 26S protease regulatory subunit 6B, 26S protease regulatory subunit 7, ...
著者Zhu, Y, Lu, Y.
登録日2022-01-27
公開日2023-02-08
実験手法ELECTRON MICROSCOPY (4.3 Å)
主引用文献Mechanism of 26S proteasome activation by the 19S-interacting protein ZFAND5
To Be Published
7QXW
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BU of 7qxw by Molmil
Proteasome-ZFAND5 Complex Z+D state
分子名称: 26S protease regulatory subunit 6A, 26S protease regulatory subunit 6B, 26S protease regulatory subunit 7, ...
著者Zhu, Y, Lu, Y.
登録日2022-01-27
公開日2023-02-08
実験手法ELECTRON MICROSCOPY (4.1 Å)
主引用文献Mechanism of 26S proteasome activation by the 19S-interacting protein ZFAND5
To Be Published
7AYH
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BU of 7ayh by Molmil
Crystal structure of Aurora A in complex with 7-(2-Anilinopyrimidin-4-yl)-1-benzazepin-2-one derivative (compound 2c)
分子名称: 7-[2-[(4-methoxyphenyl)amino]pyrimidin-4-yl]-1,3,4,5-tetrahydro-1-benzazepin-2-one, Aurora kinase A
著者Chaikuad, A, Karatas, M, Kunick, C, Knapp, S, Structural Genomics Consortium (SGC)
登録日2020-11-12
公開日2021-01-13
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献7-(2-Anilinopyrimidin-4-yl)-1-benzazepin-2-ones Designed by a "Cut and Glue" Strategy Are Dual Aurora A/VEGF-R Kinase Inhibitors.
Molecules, 26, 2021
8OK2
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BU of 8ok2 by Molmil
Bipartite interaction of TOPBP1 with the GINS complex
分子名称: DNA replication complex GINS protein PSF1, DNA replication complex GINS protein PSF2, DNA replication complex GINS protein PSF3, ...
著者Day, M, Oliver, A.W, Pearl, L.H.
登録日2023-03-26
公開日2024-03-13
実験手法ELECTRON MICROSCOPY (4.1 Å)
主引用文献TopBP1 utilises a bipartite GINS binding mode to support genome replication.
Nat Commun, 15, 2024
7AXS
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BU of 7axs by Molmil
Structural characterisation of WDR5:CS-VIP8 interaction in cis state 1
分子名称: CS-VIP8, (ALQ)(4FO)R(ABA)(DPN)(EDN)(S7Z), WD repeat-containing protein 5
著者Werel, L, Essen, L.-O.
登録日2020-11-10
公開日2021-12-15
最終更新日2024-07-10
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Bistable Photoswitch Allows in Vivo Control of Hematopoiesis.
Acs Cent.Sci., 8, 2022
7QTT
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BU of 7qtt by Molmil
Structural organization of a late activated human spliceosome (Baqr, core region)
分子名称: 116 kDa U5 small nuclear ribonucleoprotein component, BUD13 homolog, Cell division cycle 5-like protein, ...
著者Cretu, C, Pena, V.
登録日2022-01-15
公開日2023-05-10
最終更新日2024-07-17
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Structural basis of catalytic activation in human splicing.
Nature, 617, 2023
8ODP
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BU of 8odp by Molmil
Structure of human RTCB with GMPCPP in complex with Archease
分子名称: MANGANESE (II) ION, PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER, Protein archease, ...
著者Kopp, J, Gerber, J.L, Peschek, J.
登録日2023-03-09
公開日2024-03-27
最終更新日2024-04-17
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural and mechanistic insights into activation of the human RNA ligase RTCB by Archease.
Nat Commun, 15, 2024
7REL
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BU of 7rel by Molmil
Crystal structure of the first bromodomain (BD1) of human BRD4 in complex with dual BRD4-JAK2 inhibitor MA9-060
分子名称: 1,2-ETHANEDIOL, Bromodomain-containing protein 4, N-[2-chloro-5-({2-[3-fluoro-4-(1-methylpiperidin-4-yl)anilino]-5-methylpyrimidin-4-yl}amino)phenyl]-2-methylpropane-2-sulfonamide
著者Karim, M.R, Schonbrunn, E.
登録日2021-07-13
公開日2021-07-21
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Crystal structure of the first bromodomain (BD1) of human BRD4 in complex with dual BRD4-JAK2 inhibitor MA9-060
To Be Published
7REM
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BU of 7rem by Molmil
Crystal structure of the first bromodomain (BD1) of human BRD4 in complex with dual BRD4-JAK2 inhibitor PN1-050
分子名称: Bromodomain-containing protein 4, N-[2-chloro-5-({2-[3-fluoro-4-(1-methylpiperidin-4-yl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl}amino)phenyl]-2-methylpropane-2-sulfonamide
著者Karim, M.R, Schonbrunn, E.
登録日2021-07-13
公開日2021-07-21
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structure of the first bromodomain (BD1) of human BRD4 in complex with dual BRD4-JAK2 inhibitor PN1-050
To Be Published
8OF5
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BU of 8of5 by Molmil
Crystal structure of Aurora A 122-403 C290A, N332A, Q335A, C393A bound to ADP
分子名称: 3[N-MORPHOLINO]PROPANE SULFONIC ACID, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ADENOSINE-5'-DIPHOSPHATE, ...
著者Miles, J.A, Hammond, K.L.R, Bayliss, R.
登録日2023-03-14
公開日2024-03-27
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Crystal structure of Aurora A 122-403 C290A, N332A, Q335A, C393A bound to ADP
To Be Published
7REK
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BU of 7rek by Molmil
Crystal structure of the first bromodomain (BD1) of human BRD4 in complex with dual BRD4-JAK2 inhibitor MA9-086
分子名称: 1,2-ETHANEDIOL, Bromodomain-containing protein 4, N~4~-[1-(tert-butylsulfonyl)-2,3-dihydro-1H-indol-6-yl]-N~2~-[3-fluoro-4-(1-methylpiperidin-4-yl)phenyl]-5-methylpyrimidine-2,4-diamine
著者Karim, M.R, Schonbrunn, E.
登録日2021-07-13
公開日2021-07-21
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Crystal structure of the first bromodomain (BD1) of human BRD4 in complex with dual BRD4-JAK2 inhibitor MA9-086
To Be Published
8K14
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X-ray crystal structure of 18a in BRD4(1)
分子名称: 4-[8-methoxy-2-methyl-1-(1-phenylethyl)imidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole, Bromodomain-containing protein 4
著者Xu, H, Shen, H, Zhang, Y, Xu, Y, Li, R.
登録日2023-07-10
公開日2024-03-27
実験手法X-RAY DIFFRACTION (1.28 Å)
主引用文献Discovery of (R)-4-(8-methoxy-2-methyl-1-(1-phenylethy)-1H-imidazo[4,5-c]quinnolin-7-yl)-3,5-dimethylisoxazole as a potent and selective BET inhibitor for treatment of acute myeloid leukemia (AML) guided by FEP calculation.
Eur.J.Med.Chem., 263, 2024

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件を2024-07-17に公開中

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