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7MWL
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BU of 7mwl by Molmil
The TAM domain of BAZ2A in complex with a 12mer mCG DNA
Descriptor: Bromodomain adjacent to zinc finger domain protein 2A, DNA (5'-D(*GP*CP*CP*AP*AP*(5CM)P*GP*TP*TP*GP*GP*C)-3'), GLYCEROL
Authors:Liu, K, Dong, A, Li, Y, Loppnau, P, Edwards, A.M, Arrowsmith, C.H, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2021-05-17
Release date:2021-07-21
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:The TAM domain of BAZ2A in complex with a 12mer mCG DNA
To Be Published
6NJE
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BU of 6nje by Molmil
Crystal structure of the motor domain of human kinesin family member 22
Descriptor: ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, Kinesin-like protein KIF22, ...
Authors:Walker, B.C, Zhu, H, Tempel, W, Arrowsmith, C.H, Edwards, A.M, Park, H, Cochran, J.C, Structural Genomics Consortium (SGC)
Deposit date:2019-01-03
Release date:2019-01-16
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of the motor domain of human kinesin family member 22
To Be Published
7M40
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BU of 7m40 by Molmil
Discovery of small molecule antagonists of human Retinoblastoma Binding Protein 4 (RBBP4)
Descriptor: Histone-binding protein RBBP4, N~3~-{4-[3-(dimethylamino)pyrrolidin-1-yl]-6,7-dimethoxyquinazolin-2-yl}-N~1~,N~1~-dimethylpropane-1,3-diamine
Authors:Perveen, S, Dong, A, Tempel, W, Zepeda-Velazquez, C, Abbey, M, McLeod, D, Marcellus, R, Mohammed, M, Ensan, D, Panagopoulos, D, Trush, V, Gibson, E, Brown, P.J, Arrowsmith, C.H, Schapira, M, Al-awar, R, Vedadi, M, Structural Genomics Consortium (SGC)
Deposit date:2021-03-19
Release date:2021-05-12
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Discovery of small molecule antagonists of human Retinoblastoma Binding Protein 4 (RBBP4)
To Be Published
8QWY
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BU of 8qwy by Molmil
Crystal structure of human Casein Kinase II subunit alpha (CK2a1) in complex with 4-(6-((5-isopropoxy-2-methoxyphenyl)amino)pyrazin-2-yl)benzoic acid
Descriptor: 4-[6-[(2-methoxy-5-propan-2-yloxy-phenyl)amino]pyrazin-2-yl]benzoic acid, Casein kinase II subunit alpha, SULFATE ION
Authors:Kraemer, A, Galal, K, Willson, T, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2023-10-20
Release date:2024-01-17
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal structure of human Casein Kinase II subunit alpha (CK2a1) in complex with 4-(6-(6-isopropoxy-1H-indol-1-yl)pyrazin-2-yl)benzoic acid
To Be Published
6Y41
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BU of 6y41 by Molmil
Fibrinogen-like globe domain of human ANGPTL2
Descriptor: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Angiopoietin-related protein 2, ...
Authors:Coker, J.A, Krojer, T, Mutisya, J.M, Arrowsmith, C.H, Bountra, C, Midwood, K.S, Yue, W.W, Marsden, B.D, Structural Genomics Consortium (SGC)
Deposit date:2020-02-19
Release date:2020-03-04
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Fibrinogen-like globe domain of human ANGPTL2
To Be Published
6Y43
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BU of 6y43 by Molmil
Fibrinogen-like globe domain of human ANGPTL6
Descriptor: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Angiopoietin-related protein 6, ...
Authors:Coker, J.A, Krojer, T, Mutisya, J.M, Arrowsmith, C.H, Bountra, C, Midwood, K.S, Yue, W.W, Marsden, B.D, Structural Genomics Consortium (SGC)
Deposit date:2020-02-19
Release date:2020-03-04
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Fibrinogen-like globe domain of human ANGPTL6
To Be Published
6NEZ
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BU of 6nez by Molmil
Trypanosoma brucei - BDF5, Tb427tmp.01.5000 A, solved with PF-CBP1
Descriptor: 5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[2-(morpholin-4-yl)ethyl]-2-[2-(4-propoxyphenyl)ethyl]-1H-benzimidazole, UNKNOWN ATOM OR ION, Uncharacterized protein
Authors:Lin, Y.H, Dong, A, Tempel, W, McAuley, J, Loppnau, P, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Hui, R, Vedadi, M, Harding, R.J, Structural Genomics Consortium (SGC)
Deposit date:2018-12-18
Release date:2019-01-23
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Trypanosoma brucei - BDF5, Tb427tmp.01.5000 A, solved with PF-CBP1
to be published
6S25
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BU of 6s25 by Molmil
Crystal Structure of the first bromodomain of BRD4 in complex with a benzodiazepine ligand
Descriptor: 1,2-ETHANEDIOL, Bromodomain-containing protein 4, ~{tert}-butyl ~{N}-[3-[2-[(4~{S})-6-(4-chlorophenyl)-8-methoxy-1-methyl-4~{H}-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]ethanoylamino]propyl]carbamate
Authors:Picaud, S, Traquete, R, Bernardes, G.J.L, Tobias, K, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Filippakopoulos, P, Structural Genomics Consortium (SGC)
Deposit date:2019-06-20
Release date:2019-07-31
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Crystal Structure of the first bromodomain of BRD4 in complex with a benzodiazepine ligand
To Be Published
6NIM
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BU of 6nim by Molmil
Trypanosoma cruzi - BDF2, TcCLB.506553.20, solved with bromosporine
Descriptor: Bromodomain factor 2 protein, Bromosporine, SULFATE ION, ...
Authors:Lin, Y.H, Dong, A, Tempel, W, Loppnau, P, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Hui, R, Vedadi, M, Harding, R, Structural Genomics Consortium (SGC)
Deposit date:2018-12-29
Release date:2019-01-30
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Trypanosoma cruzi - BDF2, TcCLB.506553.20, solved with bromosporine
to be published
5MQ1
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BU of 5mq1 by Molmil
Crystal structure of the BRD7 bromodomain in complex with BI-9564
Descriptor: 1,2-ETHANEDIOL, 4-[4-[(dimethylamino)methyl]-2,5-dimethoxy-phenyl]-2-methyl-2,7-naphthyridin-1-one, Bromodomain-containing protein 7, ...
Authors:Diaz-Saez, L, Martin, L.J, Panagakou, I, Picaud, S, Krojer, T, von Delft, F, Knapp, S, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Huber, K, Structural Genomics Consortium (SGC)
Deposit date:2016-12-19
Release date:2018-01-17
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystal structure of the BRD7 bromodomain in complex with BI-9564
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
Descriptor: 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
Authors:Kraemer, A, Ong, H.W, Yang, X, Brown, J.W, Chang, E, Willson, T, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2023-05-09
Release date:2023-06-21
Method:X-RAY DIFFRACTION (2.4 Å)
Cite: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
8P07
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BU of 8p07 by Molmil
Crystal structure of human Casein Kinase II subunit alpha (CK2a1) in complex with 5-((3-(4H-1,2,4-triazol-4-yl)phenyl)amino)-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
Descriptor: 1,2-ETHANEDIOL, 7-(cyclopropylamino)-5-[[3-(1,2,4-triazol-4-yl)phenyl]amino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile, Casein kinase II subunit alpha, ...
Authors:Kraemer, A, Ong, H.W, Yang, X, Bown, J.W, Chang, E, Willson, T, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2023-05-09
Release date:2023-05-17
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure of human Casein Kinase II subunit alpha (CK2a1) in complex with 5-((3-(4H-1,2,4-triazol-4-yl)phenyl)amino)-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
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
Descriptor: 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
Authors:Balourdas, D.I, Bauer, N, Knapp, S, Joerger, A.C, Structural Genomics Consortium (SGC)
Deposit date:2023-06-06
Release date:2023-07-05
Method:X-RAY DIFFRACTION (1.29 Å)
Cite:Crystal structure of the first bromodomain of human BRD4 in complex with the dual BET/HDAC inhibitor NB512
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
Descriptor: 1,2-ETHANEDIOL, Bromodomain-containing protein 4, ~{N}-(2-aminophenyl)-4-[(~{E})-(6-methyl-7-oxidanyl-1~{H}-indol-4-yl)diazenyl]benzamide
Authors:Balourdas, D.I, Bauer, N, Knapp, S, Joerger, A.C, Structural Genomics Consortium (SGC)
Deposit date:2023-06-06
Release date:2023-07-05
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Crystal structure of the first bromodomain of human BRD4 in complex with the dual BET/HDAC inhibitor NB390
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
Descriptor: 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
Authors:Balourdas, D.I, Bauer, N, Knapp, S, Joerger, A.C, Structural Genomics Consortium (SGC)
Deposit date:2023-06-06
Release date:2023-07-05
Method:X-RAY DIFFRACTION (1.23 Å)
Cite: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
Descriptor: 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
Authors:Balourdas, D.I, Bauer, N, Knapp, S, Joerger, A.C, Structural Genomics Consortium (SGC)
Deposit date:2023-06-06
Release date:2023-07-05
Method:X-RAY DIFFRACTION (1.42 Å)
Cite: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
Descriptor: 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
Authors:Balourdas, D.I, Bauer, N, Knapp, S, Joerger, A.C, Structural Genomics Consortium (SGC)
Deposit date:2023-06-06
Release date:2023-07-05
Method:X-RAY DIFFRACTION (1.25 Å)
Cite: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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BU of 8p9f by Molmil
Crystal structure of the first bromodomain of human BRD4 in complex with the dual BET/HDAC inhibitor NB161
Descriptor: 1,2-ETHANEDIOL, Bromodomain-containing protein 4, ~{N}-(2-aminophenyl)-4-[2-(2-azanyl-5-methyl-4-oxidanyl-phenyl)hydrazinyl]benzamide
Authors:Balourdas, D.I, Bauer, N, Knapp, S, Joerger, A.C, Structural Genomics Consortium (SGC)
Deposit date:2023-06-06
Release date:2023-07-05
Method:X-RAY DIFFRACTION (1.3 Å)
Cite: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
Descriptor: 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
Authors:Balourdas, D.I, Bauer, N, Knapp, S, Joerger, A.C, Structural Genomics Consortium (SGC)
Deposit date:2023-06-06
Release date:2023-07-05
Method:X-RAY DIFFRACTION (1.19 Å)
Cite:Crystal structure of the first bromodomain of human BRD4 in complex with the dual BET/HDAC inhibitor NB437
to be published
8PVP
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BU of 8pvp by Molmil
Crystal structure of human Casein Kinase II subunit alpha (CK2a1) in complex with allosteric compound FGJG18
Descriptor: CSNK2A1 protein, SULFATE ION, ~{N}-[5-[(3-chloranyl-4-phenyl-phenyl)methylamino]pentyl]isoquinoline-5-sulfonamide
Authors:Kraemer, A, Greco, F, Gerninghaus, J, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2023-07-18
Release date:2023-09-20
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal structure of human Casein Kinase II subunit alpha (CK2a1) in complex with allosteric compound FGJG18
To Be Published
8PVO
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BU of 8pvo by Molmil
Crystal structure of human Casein Kinase II subunit alpha (CK2a1) in complex with allosteric compound FG5
Descriptor: 1,2-ETHANEDIOL, 2-[1-(1,3-benzothiazol-6-ylsulfonyl)piperidin-4-yl]-~{N}-[(3-chloranyl-4-phenyl-phenyl)methyl]ethanamine, CSNK2A1 protein, ...
Authors:Kraemer, A, Greco, F, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2023-07-18
Release date:2023-09-20
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Crystal structure of human Casein Kinase II subunit alpha (CK2a1) in complex with allosteric compound FG5
To Be Published
6WAJ
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BU of 6waj by Molmil
Crystal structure of the UBL domain of human NLE1
Descriptor: NLE1, UNKNOWN ATOM OR ION
Authors:Halabelian, L, Zeng, H, Li, Y, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Structural Genomics Consortium (SGC)
Deposit date:2020-03-25
Release date:2020-04-22
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of the UBL domain of human NLE1
To be Published
6T6F
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BU of 6t6f by Molmil
Crystal structure of human calmodulin-dependent protein kinase 1D (CAMK1D) bound to compound 8 (CS275)
Descriptor: 2-[(3~{S})-3-azanylpiperidin-1-yl]-4-[[3-(trifluoromethyl)phenyl]amino]pyrimidine-5-carboxamide, Calcium/calmodulin-dependent protein kinase type 1D
Authors:Sorrell, F, Kraemer, A, Butterworth, S, Edwards, A.M, Arrowsmith, C.H, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2019-10-18
Release date:2020-01-15
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:CAMK1D bound to CS275
To Be Published
6P0Q
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BU of 6p0q by Molmil
Crystal Structure of Ubiquitin-like Domain of Human WDR12
Descriptor: 1,2-ETHANEDIOL, Ribosome biogenesis protein WDR12
Authors:Halabelian, L, Dong, A, Zeng, H, Li, Y, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Structural Genomics Consortium (SGC)
Deposit date:2019-05-17
Release date:2019-05-29
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Crystal Structure of Ubiquitin-like Domain of Human WDR12
to be published
6PBG
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BU of 6pbg by Molmil
Crystal structure of WD-repeat domain of human coatomer subunit Alpha (COPA)
Descriptor: Coatomer subunit alpha, L(+)-TARTARIC ACID, UNKNOWN ATOM OR ION
Authors:Halabelian, L, Zeng, H, Dong, A, Loppnau, P, Seitova, A, Hutchinson, A, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Structural Genomics Consortium (SGC)
Deposit date:2019-06-13
Release date:2019-06-26
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Crystal structure of W repeat domain of human coatomer subunit Alpha (COPA)
to be published

221051

數據於2024-06-12公開中

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