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7U9I
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BU of 7u9i by Molmil
Co-crystal structure of human CARM1 in complex with MT556 inhibitor
分子名称: 7-[5-S-(4-{[(4-ethylpyridin-3-yl)methyl]amino}butyl)-5-thio-beta-D-ribofuranosyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine, Histone-arginine methyltransferase CARM1, UNKNOWN ATOM OR ION
著者Zeng, H, Perveen, S, Dong, A, Hutchinson, A, Seitova, A, Gibson, E, Hajian, T, Li, Y, Gao, Y.D, Schneider, S, Siliphaivanh, P, Sloman, D, Nicholson, B, Fischer, C, Hicks, J, Vedadi, M, Brown, P.J, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC)
登録日2022-03-10
公開日2023-01-18
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Co-crystal structure of human CARM1 in complex with MT556 inhibitor
To Be Published
8F0W
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BU of 8f0w by Molmil
Tudor Domain of Tumor suppressor p53BP1 with MFP-5956
分子名称: 1-[4-(4-ethylpiperazin-1-yl)-3-fluorophenyl]butan-1-one, TP53-binding protein 1, UNKNOWN ATOM OR ION
著者The, J, Hong, Z, Dong, A, Headey, S, Gunzburg, M, Doak, B, James, L.I, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Brown, P.J, Structural Genomics Consortium (SGC)
登録日2022-11-04
公開日2023-01-18
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.52 Å)
主引用文献Tudor Domain of Tumor suppressor p53BP1 with MFP-5956
to be published
8EOM
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BU of 8eom by Molmil
TUDOR DOMAIN OF TUMOR SUPPRESSOR P53BP1 WITH MFP-5973
分子名称: 4-(4-methylpiperazine-1-sulfonyl)benzamide, SULFATE ION, TP53-binding protein 1, ...
著者The, J, Hong, Z, Headey, S, Gunzburg, M, Doak, B, James, L.I, Arrowsmith, C.H, Edwards, A.M, Brown, P.J, Structural Genomics Consortium (SGC)
登録日2022-10-03
公開日2023-01-18
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献TUDOR DOMAIN OF TUMOR SUPPRESSOR P53BP1 WITH MFP-5973
to be published
8BFM
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BU of 8bfm by Molmil
Crystal structure of human calmodulin-dependent protein kinase 1D (CAMK1D) in complex with FZ331
分子名称: Calcium/calmodulin-dependent protein kinase type 1D, SULFATE ION, pyrazolo[5,1-a]phthalazin-6-amine
著者Kraemer, A, Zhu, W.F, Hernandez-Olmos, V, Proschak, E, Knapp, S, Structural Genomics Consortium (SGC)
登録日2022-10-26
公開日2022-11-23
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structure of human WDR5 and pVHL:ElonginC:ElonginB bound to PROTAC with PEG linker (conformation #2)
To Be Published
7YXX
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BU of 7yxx by Molmil
Cryo-EM structure of USP9X
分子名称: Probable ubiquitin carboxyl-terminal hydrolase FAF-X
著者Deme, J.C, Halabelian, L, Arrowsmith, C.H, Lea, S.M, Structural Genomics Consortium (SGC)
登録日2022-02-16
公開日2022-03-02
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Cryo-EM structure of USP9X
To Be Published
7YXY
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BU of 7yxy by Molmil
Cryo-EM structure of USP9X, local refinement of monomer
分子名称: Probable ubiquitin carboxyl-terminal hydrolase FAF-X
著者Deme, J.C, Halabelian, L, Arrowsmith, C.H, Lea, S.M, Structural Genomics Consortium (SGC)
登録日2022-02-16
公開日2022-03-02
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Cryo-EM structure of USP9X
To Be Published
7UW7
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BU of 7uw7 by Molmil
Crystal structure of the Human TRIP12 WWE domain (isoform 2) in complex with ADP
分子名称: ADENOSINE-5'-DIPHOSPHATE, Isoform 2 of E3 ubiquitin-protein ligase TRIP12, UNKNOWN ATOM OR ION
著者Kimani, S, Dong, A, Li, Y, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC)
登録日2022-05-02
公開日2022-06-08
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.17 Å)
主引用文献Crystal structure of the Human TRIP12 WWE domain (isoform 2) in complex with ADP
To Be Published
8BB2
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BU of 8bb2 by Molmil
Structure of human WDR5 and pVHL:ElonginC:ElonginB bound to PROTAC with PEG linker (conformation #2)
分子名称: 1,2-ETHANEDIOL, Elongin-B, Elongin-C, ...
著者Kraemer, A, Doelle, A, Knapp, S, Structural Genomics Consortium (SGC)
登録日2022-10-12
公開日2022-11-09
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Structure of human WDR5 and pVHL:ElonginC:ElonginB bound to PROTAC with PEG linker (conformation #2)
To Be Published
8BB3
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BU of 8bb3 by Molmil
Structure of human WDR5 and pVHL:ElonginC:ElonginB bound to PROTAC with PEG linker (conformation #1)
分子名称: 1,2-ETHANEDIOL, Elongin-B, Elongin-C, ...
著者Kraemer, A, Doelle, A, Knapp, S, Structural Genomics Consortium (SGC)
登録日2022-10-12
公開日2022-11-09
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure of human WDR5 and pVHL:ElonginC:ElonginB bound to PROTAC with PEG linker (conformation #1)
To Be Published
8BFS
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BU of 8bfs by Molmil
Crystal structure of human calmodulin-dependent protein kinase 1D (CAMK1D) in complex with FZ326
分子名称: 1,2-ETHANEDIOL, 3~{H}-pyrrolo[2,3-c]isoquinolin-5-amine, Calcium/calmodulin-dependent protein kinase type 1D, ...
著者Kraemer, A, Zhu, W.F, Hernandez-Olmos, V, Proschak, E, Knapp, S, Structural Genomics Consortium (SGC)
登録日2022-10-26
公開日2022-11-16
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Crystal structure of human calmodulin-dependent protein kinase 1D (CAMK1D) in complex with FZ326
To Be Published
8BK0
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BU of 8bk0 by Molmil
Crystal structure of human Ephrin type-A receptor 2 (EPHA2) Kinase domain in complex with LDN-211904
分子名称: 1,2-ETHANEDIOL, Ephrin type-A receptor 2, ~{N}-(2-chlorophenyl)-6-piperidin-4-yl-imidazo[1,2-a]pyridine-3-carboxamide
著者Zhubi, R, Gerninghaus, J, Knapp, S, Kraemer, A, Structural Genomics Consortium (SGC)
登録日2022-11-08
公開日2022-11-16
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal structure of human Ephrin type-A receptor 2 (EPHA2) Kinase domain in complex with LDN-211904
To Be Published
7Q8A
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BU of 7q8a by Molmil
Crystal structure of tandem domain RRM1-2 of FUBP-interacting repressor (FIR) bound to FUSE ssDNA fragment
分子名称: 1,2-ETHANEDIOL, DNA (5'-D(P*GP*T)-3'), Poly(U)-binding-splicing factor PUF60, ...
著者Ni, X, Joerger, A.C, Chaikuad, A, Knapp, S, Structural Genomics Consortium (SGC)
登録日2021-11-10
公開日2022-11-09
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Crystal structure of tandem domain RRM1-2 of FIR bound to FUSE ssDNA fragment
To Be Published
7QGJ
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BU of 7qgj by Molmil
Apo structure of BIR2 Domain of BIRC2
分子名称: 1,2-ETHANEDIOL, Baculoviral IAP repeat-containing protein 2, ZINC ION
著者Kraemer, A, Farges, F, Schwalm, M.P, Saxena, K, Preuss, F, Knapp, S, Structural Genomics Consortium (SGC)
登録日2021-12-08
公開日2022-02-09
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Apo structure BIR2 Domain of BIRC2
To Be Published
7OPG
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BU of 7opg by Molmil
Crystal structure of CLK1 in complex with compound 2 (CC513)
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 4-[2-(propylamino)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]phenol, Dual specificity protein kinase CLK1, ...
著者Chaikuad, A, Routier, S, Bonnet, P, Knapp, S, Structural Genomics Consortium (SGC)
登録日2021-05-31
公開日2021-07-21
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Crystal structure of CLK1 in complex with compound 2 (CC513)
To Be Published
7UVE
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BU of 7uve by Molmil
Drosophila melanogaster setdb1-tuor domain with peptide H3K9me2K14ac
分子名称: Histone-lysine N-methyltransferase eggless, peptide H3K9me2K14ac
著者Zhou, M, Dong, A, Liu, K, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
登録日2022-05-01
公開日2022-08-10
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Drosophila melanogaster setdb1-tuor domain with peptide H3K9me2K14ac
To Be Published
7UW8
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BU of 7uw8 by Molmil
Drosophila melanogaster setdb1-tuor domain
分子名称: Histone-lysine N-methyltransferase eggless
著者Zhou, M, Dong, A, Liu, K, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
登録日2022-05-03
公開日2022-08-10
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Drosophila melanogaster setdb1-tuor domain
To Be Published
4XWX
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BU of 4xwx by Molmil
Crystal structure of the PTB domain of SHC
分子名称: 1,2-ETHANEDIOL, SHC-transforming protein 1, SODIUM ION
著者Chaikuad, A, Tallant, C, Krojer, T, Dixon-Clarke, S, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
登録日2015-01-29
公開日2015-02-25
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献Crystal structure of the PTB domain of SHC
To Be Published
8P06
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BU of 8p06 by Molmil
Crystal structure of human Casein Kinase II subunit alpha (CK2a1) in complex with 5-((2-(4H-1,2,4-triazol-4-yl)pyridin-4-yl)amino)-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
分子名称: 7-(cyclopropylamino)-5-[[2-(1,2,4-triazol-4-yl)pyridin-4-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile, CSNK2A1 protein, SULFATE ION
著者Kraemer, A, Ong, H.W, Yang, X, Brown, J.W, Chang, E, Willson, T, Knapp, S, Structural Genomics Consortium (SGC)
登録日2023-05-09
公開日2023-06-21
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal structure of human Casein Kinase II subunit alpha (CK2a1) in complex with 5-((2-(4H-1,2,4-triazol-4-yl)pyridin-4-yl)amino)-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
To Be Published
8P9G
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BU of 8p9g by Molmil
Crystal structure of the first bromodomain of human BRD4 in complex with the dual BET/HDAC inhibitor NB390
分子名称: 1,2-ETHANEDIOL, Bromodomain-containing protein 4, ~{N}-(2-aminophenyl)-4-[(~{E})-(6-methyl-7-oxidanyl-1~{H}-indol-4-yl)diazenyl]benzamide
著者Balourdas, D.I, Bauer, N, Knapp, S, Joerger, A.C, Structural Genomics Consortium (SGC)
登録日2023-06-06
公開日2023-07-05
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Crystal structure of the first bromodomain of human BRD4 in complex with the dual BET/HDAC inhibitor NB390
to be published
8P9L
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BU of 8p9l by Molmil
Crystal structure of the first bromodomain of human BRD4 in complex with the dual BET/HDAC inhibitor NB512
分子名称: 1,2-ETHANEDIOL, Bromodomain-containing protein 4, ~{N}-(2-azanyl-5-phenyl-phenyl)-5-(6-methyl-7-oxidanylidene-1~{H}-pyrrolo[2,3-c]pyridin-4-yl)pyridine-2-carboxamide
著者Balourdas, D.I, Bauer, N, Knapp, S, Joerger, A.C, Structural Genomics Consortium (SGC)
登録日2023-06-06
公開日2023-07-05
実験手法X-RAY DIFFRACTION (1.29 Å)
主引用文献Crystal structure of the first bromodomain of human BRD4 in complex with the dual BET/HDAC inhibitor NB512
to be published
8P9I
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BU of 8p9i by Molmil
Crystal structure of the first bromodomain of human BRD4 in complex with the dual BET/HDAC inhibitor NB462
分子名称: 1,2-ETHANEDIOL, Bromodomain-containing protein 4, ~{N}-(2-aminophenyl)-4-(6-methyl-7-oxidanylidene-1~{H}-pyrrolo[2,3-c]pyridin-4-yl)benzamide
著者Balourdas, D.I, Bauer, N, Knapp, S, Joerger, A.C, Structural Genomics Consortium (SGC)
登録日2023-06-06
公開日2023-07-05
実験手法X-RAY DIFFRACTION (1.23 Å)
主引用文献Crystal structure of the first bromodomain of human BRD4 in complex with the dual BET/HDAC inhibitor NB462
to be published
8P9J
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BU of 8p9j by Molmil
Crystal structure of the first bromodomain of human BRD4 in complex with the dual BET/HDAC inhibitor NB500
分子名称: 1,2-ETHANEDIOL, Bromodomain-containing protein 4, ~{N}-(2-aminophenyl)-5-(6-methyl-7-oxidanylidene-1~{H}-pyrrolo[2,3-c]pyridin-4-yl)pyridine-2-carboxamide
著者Balourdas, D.I, Bauer, N, Knapp, S, Joerger, A.C, Structural Genomics Consortium (SGC)
登録日2023-06-06
公開日2023-07-05
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献Crystal structure of the first bromodomain of human BRD4 in complex with the dual BET/HDAC inhibitor NB500
to be published
8P9K
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BU of 8p9k by Molmil
Crystal structure of the first bromodomain of human BRD4 in complex with the dual BET/HDAC inhibitor NB503
分子名称: 1,2-ETHANEDIOL, Bromodomain-containing protein 4, ~{N}-(2-azanyl-5-phenyl-phenyl)-4-(6-methyl-7-oxidanylidene-1~{H}-pyrrolo[2,3-c]pyridin-4-yl)benzamide
著者Balourdas, D.I, Bauer, N, Knapp, S, Joerger, A.C, Structural Genomics Consortium (SGC)
登録日2023-06-06
公開日2023-07-05
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Crystal structure of the first bromodomain of human BRD4 in complex with the dual BET/HDAC inhibitor NB503
to be published
8P9F
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Crystal structure of the first bromodomain of human BRD4 in complex with the dual BET/HDAC inhibitor NB161
分子名称: 1,2-ETHANEDIOL, Bromodomain-containing protein 4, ~{N}-(2-aminophenyl)-4-[2-(2-azanyl-5-methyl-4-oxidanyl-phenyl)hydrazinyl]benzamide
著者Balourdas, D.I, Bauer, N, Knapp, S, Joerger, A.C, Structural Genomics Consortium (SGC)
登録日2023-06-06
公開日2023-07-05
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Crystal structure of the first bromodomain of human BRD4 in complex with the dual BET/HDAC inhibitor NB161
to be published
8P9H
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BU of 8p9h by Molmil
Crystal structure of the first bromodomain of human BRD4 in complex with the dual BET/HDAC inhibitor NB437
分子名称: 1,2-ETHANEDIOL, Bromodomain-containing protein 4, ~{N}-(2-aminophenyl)-2-(6-methyl-7-oxidanylidene-1~{H}-pyrrolo[2,3-c]pyridin-4-yl)quinoline-6-carboxamide
著者Balourdas, D.I, Bauer, N, Knapp, S, Joerger, A.C, Structural Genomics Consortium (SGC)
登録日2023-06-06
公開日2023-07-05
実験手法X-RAY DIFFRACTION (1.19 Å)
主引用文献Crystal structure of the first bromodomain of human BRD4 in complex with the dual BET/HDAC inhibitor NB437
to be published

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件を2024-05-15に公開中

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