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9FLB
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BU of 9flb by Molmil
Crystal structure of haspin (GSG2) in complex with MU1464
Descriptor: 5-(1-methylpyrazol-4-yl)-3-pyridin-4-yl-thieno[3,2-b]pyridine, SODIUM ION, Serine/threonine-protein kinase haspin
Authors:Chaikuad, A, Paruch, K, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2024-06-04
Release date:2024-09-11
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of haspin (GSG2) in complex with MU1464
To Be Published
9FLC
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BU of 9flc by Molmil
Crystal structure of haspin (GSG2) in complex with MU1668
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 5-(1-methylpyrazol-3-yl)-3-pyridin-4-yl-thieno[3,2-b]pyridine, GLYCEROL, ...
Authors:Chaikuad, A, Paruch, K, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2024-06-04
Release date:2024-09-11
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:Crystal structure of haspin (GSG2) in complex with MU1668
To Be Published
9FLT
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BU of 9flt by Molmil
Crystal structure of human Haspin (GSG2) kinase bound to chemical probe MU1920
Descriptor: NICKEL (II) ION, Serine/threonine-protein kinase haspin, ~{N}-(1,4-dimethylpyrazol-3-yl)-3-pyridin-4-yl-thieno[3,2-b]pyridin-5-amine
Authors:Kraemer, A, Paruch, K, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2024-06-05
Release date:2024-09-11
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure of human Haspin (GSG2) kinase bound to chemical probe MU1920
To Be Published
7RUO
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BU of 7ruo by Molmil
Crystal structure of human UTP15
Descriptor: U3 small nucleolar RNA-associated protein 15 homolog, UNKNOWN ATOM OR ION
Authors:Dehghani-Tafti, S, Dong, A, Zeng, H, Hutchinson, A, Seitova, A, Loppnau, P, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC)
Deposit date:2021-08-17
Release date:2021-11-10
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of human UTP15
To Be Published
9FET
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BU of 9fet by Molmil
Crystal Structure of Human Vaccinia-related kinase 2 (VRK-2) bound to JA-47
Descriptor: Serine/threonine-protein kinase VRK2, [4-({4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl}amino)phenyl]acetonitrile
Authors:Wang, G.Q, Amrhein, J.A, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2024-05-21
Release date:2024-09-11
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal Structure of Human Vaccinia-related kinase 2 (VRK-2) bound to JA-47
To Be Published
9FR2
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BU of 9fr2 by Molmil
CDK2 in complex with WEIZ-WX-04-001
Descriptor: 4-[[6-(cyclohexylmethoxy)-7~{H}-purin-2-yl]amino]benzenesulfonyl fluoride, Cyclin-dependent kinase 2
Authors:Wang, G.Q, Liu, Y.H, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2024-06-18
Release date:2024-09-11
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:CDK2 in complex with WEIZ-WX-04-001
To Be Published
6VIP
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BU of 6vip by Molmil
TUDOR DOMAIN OF TUMOR SUPPRESSOR P53BP1 WITH MFP-6008
Descriptor: TP53-binding protein 1, UNKNOWN ATOM OR ION, {4-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]phenyl}(4-ethylpiperazin-1-yl)methanone
Authors: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)
Deposit date:2020-01-13
Release date:2020-02-12
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.36 Å)
Cite:TUDOR DOMAIN OF TUMOR SUPPRESSOR P53BP1 WITH MFP-6008
to be published
9FLQ
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BU of 9flq by Molmil
Crystal structure of human Haspin (GSG2) kinase bound to MU1959
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, NICKEL (II) ION, ...
Authors:Kraemer, A, Paruch, K, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2024-06-05
Release date:2024-09-11
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Crystal structure of human Haspin (GSG2) kinase bound to MU1959
To Be Published
9FLO
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BU of 9flo by Molmil
Crystal structure of human Haspin (GSG2) kinase bound to MU2181
Descriptor: NICKEL (II) ION, Serine/threonine-protein kinase haspin, ~{N}-(1,4-dimethylpyrazol-3-yl)-3-(1,2-thiazol-5-yl)thieno[3,2-b]pyridin-5-amine
Authors:Kraemer, A, Paruch, K, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2024-06-05
Release date:2024-09-11
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Crystal structure of human Haspin (GSG2) kinase bound to MU2181
To Be Published
9FYF
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BU of 9fyf by Molmil
Crystal structure of human Casein Kinase II subunit alpha (CK2a1) in complex with TR06772818
Descriptor: Casein kinase II subunit alpha, SULFATE ION, ~{N}-[5-[[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-4-fluoranyl-2-[(3~{S})-3-(methylamino)piperidin-1-yl]phenyl]propanamide
Authors:Kraemer, A, Ong, H.W, Yang, X, Brown, J.W, Chang, E, Willson, T, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2024-07-03
Release date:2024-09-11
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal structure of human Casein Kinase II subunit alpha (CK2a1) in complex with TR06772818
To Be Published
9F1M
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BU of 9f1m by Molmil
First bromodomain of BRD4 in complex with ISOX-DUAL based degrader 45
Descriptor: 1,2-ETHANEDIOL, 1-[2-[7-[2-[4-[2-[2-[2-[4-[3-(dimethylamino)propoxy]phenyl]ethyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazol-1-yl]ethyl]piperazin-1-yl]ethanoylamino]heptanoylamino]-3,3-dimethyl-butanoyl]-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide, Bromodomain-containing protein 4, ...
Authors:Balourdas, D.I, Edmonds, A.K, Marsh, G.P, Maple, H.J, Spencer, J, Knapp, S, Joerger, A.C, Structural Genomics Consortium (SGC)
Deposit date:2024-04-19
Release date:2024-09-11
Method:X-RAY DIFFRACTION (1.90001261 Å)
Cite:First bromodomain of BRD4 in complex with ISOX-DUAL based degrader 45
to be published
9F1N
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BU of 9f1n by Molmil
First bromodomain of BRD4 in complex with ISOX-DUAL based degrader 46
Descriptor: (2S,4R)-1-[(2S)-2-[9-[2-[4-[2-[2-[2-[4-[3-(dimethylamino)propoxy]phenyl]ethyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazol-1-yl]ethyl]piperazin-1-yl]ethanoylamino]nonanoylamino]-3,3-dimethyl-butanoyl]-N-[[4-(4-methyl-4H-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide, 1,2-ETHANEDIOL, Bromodomain-containing protein 4, ...
Authors:Balourdas, D.I, Edmonds, A.K, Marsh, G.P, Maple, H.J, Spencer, J, Knapp, S, Joerger, A.C, Structural Genomics Consortium (SGC)
Deposit date:2024-04-19
Release date:2024-09-11
Method:X-RAY DIFFRACTION (1.71000016 Å)
Cite:First bromodomain of BRD4 in complex with ISOX-DUAL based degrader 46
to be published
9F1L
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BU of 9f1l by Molmil
First bromodomain of BRD4 in complex with ISOX-DUAL based degrader 35
Descriptor: 1,2-ETHANEDIOL, Bromodomain-containing protein 4, N-[2-[2-[(3R)-2,6-bis(oxidanylidene)piperidin-3-yl]-1,3-bis(oxidanylidene)isoindol-4-yl]oxyethyl]-2-[4-[2-[2-[2-[4-[3-(dimethylamino)propoxy]phenyl]ethyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazol-1-yl]ethyl]piperazin-1-yl]ethanamide
Authors:Balourdas, D.I, Edmonds, A.K, Marsh, G.P, Maple, H.J, Spencer, J, Knapp, S, Joerger, A.C, Structural Genomics Consortium (SGC)
Deposit date:2024-04-19
Release date:2024-09-11
Method:X-RAY DIFFRACTION (1.30000627 Å)
Cite:First bromodomain of BRD4 in complex with ISOX-DUAL based degrader 35
to be published
9F1J
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BU of 9f1j by Molmil
First bromodomain of BRD4 in complex with ISOX-DUAL based degrader 14
Descriptor: 1,2-ETHANEDIOL, Bromodomain-containing protein 4, N-[2-[2-[2-[2-[2-[2-[2,6-bis(oxidanylidene)piperidin-3-yl]-1,3-bis(oxidanylidene)isoindol-4-yl]oxyethanoylamino]ethoxy]ethoxy]ethoxy]ethyl]-4-[4-[2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]ethyl]phenoxy]butanamide
Authors:Balourdas, D.I, Edmonds, A.K, Marsh, G.P, Maple, H.J, Spencer, J, Knapp, S, Joerger, A.C, Structural Genomics Consortium (SGC)
Deposit date:2024-04-19
Release date:2024-09-11
Method:X-RAY DIFFRACTION (1.13003039 Å)
Cite:First bromodomain of BRD4 in complex with ISOX-DUAL based degrader 14
to be published
9F1K
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BU of 9f1k by Molmil
First bromodomain of BRD4 in complex with ISOX-DUAL based inhibitor 30
Descriptor: 1,2-ETHANEDIOL, 2-[4-[2-[2-[2-[4-[3-(dimethylamino)propoxy]phenyl]ethyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazol-1-yl]ethyl]piperazin-1-yl]-N-(2-methoxyethyl)ethanamide, Bromodomain-containing protein 4
Authors:Balourdas, D.I, Edmonds, A.K, Marsh, G.P, Maple, H.J, Spencer, J, Knapp, S, Joerger, A.C, Structural Genomics Consortium (SGC)
Deposit date:2024-04-19
Release date:2024-09-11
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:First bromodomain of BRD4 in complex with ISOX-DUAL based inhibitor 30
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
6I7X
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BU of 6i7x by Molmil
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
6I81
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BU of 6i81 by Molmil
Crystal Structure of the second bromodomain of BRD2 in complex with RT56
Descriptor: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 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 (1.74 Å)
Cite:Crystal Structure of the second bromodomain of BRD2 in complex with RT56
To Be Published
6I7Y
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BU of 6i7y by Molmil
Crystal Structure of the first bromodomain of BRD4 in complex with RT56
Descriptor: 1,2-ETHANEDIOL, Bromodomain-containing protein 4, [1-[4-[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]phenyl]piperidin-4-yl]-trimethyl-azanium
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 Å)
Cite:Crystal Structure of the first bromodomain of BRD4 in complex with RT56
To Be Published
3RMU
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BU of 3rmu by Molmil
Crystal structure of human Methylmalonyl-CoA epimerase, MCEE
Descriptor: 1,2-ETHANEDIOL, COBALT (II) ION, Methylmalonyl-CoA epimerase, ...
Authors:Chaikuad, A, Krysztofinska, E, Froese, D.S, Yue, W.W, Vollmar, M, Muniz, J.R.C, von Delft, F, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Oppermann, U, Structural Genomics Consortium (SGC)
Deposit date:2011-04-21
Release date:2011-05-11
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of human Methylmalonyl-CoA epimerase, MCEE
To be Published
5FEA
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BU of 5fea by Molmil
Domain Swapped Bromodomain from Leishmania donovani
Descriptor: BROMIDE ION, Bromosporine, Uncharacterized protein
Authors:Walker, J.R, Hou, C.F.D, Lin, Y.H, LOPPNAU, P, Dong, A, El Bakkouri, M, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Hui, R, Structural Genomics Consortium (SGC)
Deposit date:2015-12-16
Release date:2016-01-13
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Domain Swapped Bromodomain from Leishmania donovani
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
6P0R
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BU of 6p0r by Molmil
Methyltransferase domain of human suppressor of variegation 3-9 homolog 2 (SUV39H2) in complex with OTS186935 inhibitor
Descriptor: (3S)-1-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]-N-[(pyridin-4-yl)methyl]pyrrolidin-3-amine, Histone-lysine N-methyltransferase SUV39H2, UNKNOWN ATOM OR ION, ...
Authors:Halabelian, L, Dong, A, Zeng, H, Loppnau, P, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Brown, P.J, Structural Genomics Consortium (SGC)
Deposit date:2019-05-17
Release date:2019-05-29
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Methyltransferase domain of human suppressor of variegation 3-9 homolog 2 (SUV39H2) in complex with OTS186935 inhibitor
to be published
4XWX
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BU of 4xwx by Molmil
Crystal structure of the PTB domain of SHC
Descriptor: 1,2-ETHANEDIOL, SHC-transforming protein 1, SODIUM ION
Authors: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)
Deposit date:2015-01-29
Release date:2015-02-25
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Crystal structure of the PTB domain of SHC
To Be Published

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PDB entries from 2024-09-18

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