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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
4XCX
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METHYLTRANSFERASE DOMAIN OF SMALL RNA 2'-O-METHYLTRANSFERASE
Descriptor: S-ADENOSYL-L-HOMOCYSTEINE, Small RNA 2'-O-methyltransferase
Authors:Walker, J.R, Zeng, H, Dong, A, Li, Y, Wernimont, A, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Brown, P.J, Wu, H, Structural Genomics Consortium (SGC)
Deposit date:2014-12-18
Release date:2015-01-14
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.84 Å)
Cite:Crystal structure of human C1ORF59 in complex with SAH
To be published
8BEM
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BU of 8bem by Molmil
STE20-like serine/threonine-protein kinase (SLK) in complex with Tivozanib
Descriptor: STE20-like serine/threonine-protein kinase, SULFATE ION, TIVOZANIB
Authors:Kraemer, A, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2022-10-21
Release date:2022-11-09
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:STE20-like serine/threonine-protein kinase (SLK) in complex with Tivozanib
To Be Published
8PM3
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BU of 8pm3 by Molmil
Crystal structure of MAP2K6 with a covalent compound GCL94
Descriptor: Dual specificity mitogen-activated protein kinase kinase 6, ~{N}-[3-(2-azanylpyridin-4-yl)phenyl]propanamide
Authors:Wang, G.Q, Seidler, N, Roehm, S, Gehringer, M, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2023-06-28
Release date:2023-09-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of MAP2K6 with a covalent compound GCL94
To Be Published
8QQY
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BU of 8qqy by Molmil
Crystal structure of human Ephrin type-A receptor 2 (EPHA2) Kinase domain in complex with JG165
Descriptor: 1,2-ETHANEDIOL, 6-(4-fluoranyl-3-methoxy-phenyl)-13$l^{6}-thia-2,4,8,12,19-pentazatricyclo[12.3.1.1^{3,7}]nonadeca-1(18),3,5,7(19),14,16-hexaene 13,13-dioxide, Ephrin type-A receptor 2
Authors:Zhubi, R, Gerninghaus, J, Knapp, S, Kraemer, A, Structural Genomics Consortium (SGC)
Deposit date:2023-10-06
Release date:2023-11-22
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of human Ephrin type-A receptor 2 (EPHA2) Kinase domain in complex with JG165
To Be Published
8QWZ
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BU of 8qwz by Molmil
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
Descriptor: 4-[6-(6-propan-2-yloxyindol-1-yl)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
5KKP
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BU of 5kkp by Molmil
Crystal Structure of Human Pseudouridylate Synthase 7
Descriptor: 1,2-ETHANEDIOL, Pseudouridylate synthase 7, UNKNOWN ATOM OR ION
Authors:DONG, A, ZENG, H, WALKER, J.R, Bountra, C, Arrowsmith, C.H, Edwards, A.M, BROWN, P.J, WU, H, Structural Genomics Consortium (SGC)
Deposit date:2016-06-22
Release date:2016-08-17
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Crystal Structure of Human Pseudouridylate Synthase 7
to be published
5N2M
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BU of 5n2m by Molmil
Crystal structure of the first bromodomain of human BRD4 in complex with a tetrahydroquinoline analogue
Descriptor: 1,2-ETHANEDIOL, Bromodomain-containing protein 4, propan-2-yl ~{N}-[(2~{S},4~{R})-6-(3-acetamidophenyl)-1-ethanoyl-2-methyl-3,4-dihydro-2~{H}-quinolin-4-yl]carbamate
Authors:Tallant, C, Slavish, P.J, Siejka, P, Bharatham, N, Shadrick, W.R, Chai, S, Young, B.M, Boyd, V.A, Heroven, C, Wiggers, H.J, Picaud, S, Fedorov, O, Krojer, T, Chen, T, Lee, R.E, Guy, R.K, Shelat, A.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2017-02-07
Release date:2018-02-28
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Crystal structure of the first bromodomain of human BRD4 in complex with a tetrahydroquinoline analogue
To Be Published
4X3G
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BU of 4x3g by Molmil
Crystal structure of SIAH1 SINA domain in complex with a USP19 peptide
Descriptor: E3 ubiquitin-protein ligase SIAH1, Ubiquitin carboxyl-terminal hydrolase 19, ZINC ION
Authors:Walker, J.R, Dong, A, Zhang, Q, Huang, X, Li, Y, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Tong, Y, Structural Genomics Consortium (SGC)
Deposit date:2014-11-28
Release date:2014-12-31
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.34 Å)
Cite:Crystal structure of SIAH1 SINA domain in complex with a USP19 peptide
To be published
7M3X
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BU of 7m3x by Molmil
Crystal Structure of the Apo Form of Human RBBP7
Descriptor: Histone-binding protein RBBP7, UNKNOWN ATOM OR ION
Authors:Righetto, G.L, Dong, A, Li, Y, Hutchinson, A, Seitova, A, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC)
Deposit date:2021-03-19
Release date:2021-05-05
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.46 Å)
Cite:Crystal Structure of the Apo Form of Human RBBP7
To Be Published
7MT1
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BU of 7mt1 by Molmil
Crystal structure of Human Platelet-activating factor acetylhydrolase IB subunit beta (PAFAH1B1)
Descriptor: GLYCEROL, Platelet-activating factor acetylhydrolase IB subunit beta, UNKNOWN ATOM OR ION
Authors:Hutchinson, A, Seitova, A, Dong, A, Loppnau, P, Edwards, A.M, Arrowsmith, C.H, Halabelian, L, Structural Genomics Consortium (SGC)
Deposit date:2021-05-12
Release date:2021-06-09
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Crystal structure of Human Platelet-activating factor acetylhydrolase IB subunit beta (PAFAH1B1)
To Be Published
7MWK
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BU of 7mwk by Molmil
Crystal structure of MBD2 with DNA
Descriptor: DNA (5'-D(*GP*CP*CP*AP*AP*(MC)P*GP*TP*TP*GP*GP*C)-3'), Methyl-CpG-binding domain protein 2, UNKNOWN ATOM OR ION
Authors:Liu, K, Dong, A, Edwards, A.M, Arrowsmith, C.H, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2021-05-17
Release date:2021-07-07
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.453 Å)
Cite:Crystal structure of MBD2 with DNA
To Be Published
7MWM
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Crystal structure of MBD2 with DNA
Descriptor: DNA (5'-D(*GP*CP*CP*AP*A)-R(P*(5MC))-D(P*GP*TP*TP*GP*GP*C)-3'), Methyl-CpG-binding domain protein 2, UNKNOWN ATOM OR ION
Authors:Liu, K, Dong, A, Edwards, A.M, Arrowsmith, C.H, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2021-05-17
Release date:2021-07-07
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.601 Å)
Cite:Crystal structure of MBD2 with DNA
To Be Published
7N27
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BU of 7n27 by Molmil
Crystal Structure of chromodomain of CDYL in complex with inhibitor UNC6261
Descriptor: Isoform 2 of Chromodomain Y-like protein, SODIUM ION, UNKNOWN ATOM OR ION, ...
Authors:Beldar, S, Dong, A, Loppnau, P, Min, J, Arrowsmith, C.H, Edwards, A.M, Structural Genomics Consortium (SGC)
Deposit date:2021-05-28
Release date:2021-07-21
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Crystal Structure of chromodomain of CDYL in complex with inhibitor UNC6261
To Be Published
5KCH
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BU of 5kch by Molmil
SETDB1 in complex with an early stage, low affinity fragment candidate modelled at reduced occupancy into weak electron density
Descriptor: 4-methoxy-N-[(pyridin-2-yl)methyl]aniline, DIMETHYL SULFOXIDE, Histone-lysine N-methyltransferase SETDB1, ...
Authors:Tempel, W, Harding, R.J, Mader, P, Dobrovetsky, E, Walker, J.R, Brown, P.J, Schapira, M, Collins, P, Pearce, N, Brandao-Neto, J, Douangamath, A, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Santhakumar, V, Structural Genomics Consortium (SGC)
Deposit date:2016-06-06
Release date:2016-07-27
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:SETDB1 in complex with an early stage, low affinity fragment candidate modelled at reduced occupancy
To Be Published
5KCO
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BU of 5kco by Molmil
SETDB1 in complex with an early stage, low affinity fragment candidate modelled at reduced occupancy
Descriptor: DIMETHYL SULFOXIDE, Histone-lysine N-methyltransferase SETDB1, SULFATE ION, ...
Authors:Tempel, W, Harding, R.J, Mader, P, Dobrovetsky, E, Walker, J.R, Brown, P.J, Schapira, M, Collins, P, Pearce, N, Brandao-Neto, J, Douangamath, A, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Santhakumar, V, Structural Genomics Consortium (SGC)
Deposit date:2016-06-06
Release date:2016-07-27
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:SETDB1 in complex with an early stage, low affinity fragment candidate modelled at reduced occupancy
To Be Published
6GRU
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BU of 6gru by Molmil
Crystal structure of human NUDT5
Descriptor: 1,2-ETHANEDIOL, ADP-sugar pyrophosphatase, CHLORIDE ION, ...
Authors:Dubianok, Y, Collins, P, Krojer, T, Fairhead, M, MacLean, E, Diaz Saez, L, Strain-Damerell, C, Elkins, J, Burgess-Brown, N, Bountra, C, Arrowsmith, C.H, Edwards, A, Huber, K, von Delft, F, Structural Genomics Consortium (SGC)
Deposit date:2018-06-12
Release date:2018-06-27
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Crystal structure of human NUDT5
To Be Published
6MF9
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BU of 6mf9 by Molmil
Crystal structure of CGD4-650 with compound BI2536
Descriptor: 4-{[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,7,8-tetrahydropteridin-2-yl]amino}-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide, ZnKn (C2HC)+Athook+bromo domain protein, Taf250, ...
Authors:Dong, A, Lin, Y.L, Hou, D, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Vedadi, M, Hui, R, Structural Genomics Consortium (SGC)
Deposit date:2018-09-10
Release date:2018-10-10
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.037 Å)
Cite:Crystal structure of CGD4-650 with compound BI2536
to be published
6I80
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BU of 6i80 by Molmil
Crystal Structure of the second bromodomain of BRD2 in complex with RT53
Descriptor: 1,2-ETHANEDIOL, 2-[(4~{S})-6-(4-chlorophenyl)-8-methoxy-1-methyl-4~{H}-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]-1-[4-(dimethylamino)piperidin-1-yl]ethanone, Bromodomain-containing protein 2
Authors:Picaud, S, Traquete, R, Bernardes, G.J.L, Newman, J, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Filippakopoulos, P, Structural Genomics Consortium (SGC)
Deposit date:2018-11-19
Release date:2019-11-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.14 Å)
Cite:Crystal Structure of the second bromodomain of BRD2 in complex with RT53
To Be Published
8SHB
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BU of 8shb by Molmil
Crystal Structure of PRMT3 with Compound YD1-208
Descriptor: 5'-S-[3-(N'-phenylcarbamimidamido)propyl]-5'-thioadenosine, Protein arginine N-methyltransferase 3
Authors:Song, X, Dong, A, Deng, Y, Huang, R, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2023-04-13
Release date:2024-04-24
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Crystal Structure of PRMT3 with Compound YD1-208
To be published
8SIG
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BU of 8sig by Molmil
Crystal Structure of PRMT4 with Compound YD1-288
Descriptor: 5'-{(3-aminopropyl)[2-(benzylcarbamamido)ethyl]amino}-5'-deoxyadenosine, Histone-arginine methyltransferase CARM1, SODIUM ION, ...
Authors:Song, X, Dong, A, Deng, Y, Huang, R, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2023-04-16
Release date:2024-04-24
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Crystal Structure of PRMT4 with Compound YD1-288
To be published
8SHR
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BU of 8shr by Molmil
Crystal Structure of PRMT3 with Compound YD1-214
Descriptor: 5'-S-[2-(phenylcarbamamido)ethyl]-5'-thioadenosine, Protein arginine N-methyltransferase 3
Authors:Song, X, Dong, A, Deng, Y, Huang, R, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2023-04-14
Release date:2024-04-17
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Crystal Structure of PRMT3 with Compound YD1-214
To be published
8SIH
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BU of 8sih by Molmil
Crystal Structure of PRMT4 with Compound YD1-289
Descriptor: 5'-{[2-(benzylcarbamamido)ethyl][3-(N'-cyclopentylcarbamimidamido)propyl]amino}-5'-deoxyadenosine, CALCIUM ION, Histone-arginine methyltransferase CARM1
Authors:Song, X, Dong, A, Deng, Y, Huang, R, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2023-04-16
Release date:2024-04-24
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Crystal Structure of PRMT4 with Compound YD1-289
To be published
8C1L
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BU of 8c1l by Molmil
Crystal structure of HNF4 alpha LBD in complexes with palmitic acid and GRIP-1 peptide
Descriptor: 1,2-ETHANEDIOL, Hepatocyte nuclear factor 4-alpha, Nuclear receptor coactivator 2, ...
Authors:Ni, X, Merk, D, Zhubi, R, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2022-12-20
Release date:2024-01-10
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of HNF4 alpha LBD in complexes with palmitic acid and GRIP-1 peptide
To Be Published
6I7X
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Crystal Structure of the first bromodomain of BRD4 in complex with RT53
Descriptor: 1,2-ETHANEDIOL, 2-[(4~{S})-6-(4-chlorophenyl)-8-methoxy-1-methyl-4~{H}-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]-1-[4-(dimethylamino)piperidin-1-yl]ethanone, Bromodomain-containing protein 4
Authors:Picaud, S, Traquete, R, Bernardes, G.J.L, Newman, J, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Filippakopoulos, P, Structural Genomics Consortium (SGC)
Deposit date:2018-11-19
Release date:2019-11-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Crystal Structure of the first bromodomain of BRD4 in complex with RT53
To Be Published

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