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7NNS
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BU of 7nns by Molmil
Crystal structure of the ACVR1 (ALK2) kinase in complex with the compound Momelotinib
Descriptor: 1,2-ETHANEDIOL, Activin receptor type I, Momelotinib, ...
Authors:Williams, E, Chen, Z, Burgess-Brown, N, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.N.
Deposit date:2021-02-25
Release date:2021-04-07
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:Crystal structure of the ACVR1 (ALK2) kinase in complex with the compound Momelotinib
To Be Published
7BBO
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BU of 7bbo by Molmil
Crystal Structure of the second bromodomain of Pleckstrin homology domain interacting protein (PHIP) in space group P212121
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, PH-interacting protein
Authors:Krojer, T, Talon, R, Fairhead, M, Szykowska, A, Burgess-Brown, N.A, Brennan, P.E, Arrowsmith, C.H, Edwards, A.M, Bountra, C, von Delft, F, Structural Genomics Consortium (SGC)
Deposit date:2020-12-18
Release date:2021-03-03
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.32 Å)
Cite:Crystal Structure of the second bromodomain of Pleckstrin homology domain interacting protein (PHIP) in space group P21212
To Be Published
7BBP
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BU of 7bbp by Molmil
Crystal Structure of the second bromodomain of Pleckstrin homology domain interacting protein (PHIP) in complex with H4K5acK8ac
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, Histone H4, ...
Authors:Krojer, T, Talon, R, Fairhead, M, Szykowska, A, Burgess-Brown, N.A, Brennan, P.E, Arrowsmith, C.H, Edwards, A.M, Bountra, C, von Delft, F, Structural Genomics Consortium (SGC)
Deposit date:2020-12-18
Release date:2021-03-03
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Crystal Structure of the second bromodomain of Pleckstrin homology domain interacting protein (PHIP) in complex with H4K5acK8ac
To Be Published
4L1M
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BU of 4l1m by Molmil
Structure of the first RCC1-like domain of HERC2
Descriptor: E3 ubiquitin-protein ligase HERC2, SULFATE ION, UNKNOWN ATOM OR ION
Authors:Tempel, W, Khan, M.B, Dong, A, Hu, J, Li, Y, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Tong, Y, Structural Genomics Consortium (SGC)
Deposit date:2013-06-03
Release date:2013-07-03
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structure of the first RCC1-like domain of HERC2
TO BE PUBLISHED
3KCI
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BU of 3kci by Molmil
The third RLD domain of HERC2
Descriptor: Probable E3 ubiquitin-protein ligase HERC2
Authors:Walker, J.R, Qiu, L, Vesterberg, A, Weigelt, J, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S.
Deposit date:2009-10-21
Release date:2009-11-03
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure of the Third RLD Domain of Herc2
To be Published
9BCZ
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BU of 9bcz by Molmil
Chicken 1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase zeta-1 (PLCZ1) in complex with calcium and phosphorylated threonine
Descriptor: 1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase zeta-1, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM ION, ...
Authors:Edwards, M.M, Dong, A, Theo-Emegano, N, Seitova, A, Loppnau, P, Leung, R, Li, H, Ilyassov, O, Edwards, A.M, Arrowsmith, C.H, Structural Genomics Consortium, Structural Genomics Consortium (SGC)
Deposit date:2024-04-10
Release date:2024-05-15
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Chicken 1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase zeta-1 (PLCZ1) in complex with calcium and phosphorylated threonine
To be published
6OOV
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BU of 6oov by Molmil
Crystal structure of HMCES SRAP domain in complex with palindromic 3' overhang DNA
Descriptor: DNA (5'-D(*CP*AP*AP*CP*GP*TP*TP*GP*TP*TP*TP*TP*T)-3'), Embryonic stem cell-specific 5-hydroxymethylcytosine-binding protein, 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:2019-04-23
Release date:2019-05-15
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of HMCES SRAP domain in complex with palindromic 3' overhang DNA
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
1K77
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BU of 1k77 by Molmil
Crystal Structure of EC1530, a Putative Oxygenase from Escherichia coli
Descriptor: FORMIC ACID, GLYCEROL, Hypothetical protein ygbM, ...
Authors:Kim, Y, Skarina, T, Beasley, S, Laskowski, R, Arrowsmith, C.H, Joachimiak, A, Edwards, A.M, Savchenko, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2001-10-18
Release date:2002-03-13
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Crystal structure of Escherichia coli EC1530, a glyoxylate induced protein YgbM.
Proteins, 48, 2002
1K3R
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BU of 1k3r by Molmil
Crystal Structure of the Methyltransferase with a Knot from Methanobacterium thermoautotrophicum
Descriptor: conserved protein MT0001
Authors:Zarembinski, T.I, Kim, Y, Peterson, K, Christendat, D, Dharamsi, A, Arrowsmith, C.H, Edwards, A.M, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2001-10-03
Release date:2002-05-15
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Deep trefoil knot implicated in RNA binding found in an archaebacterial protein.
Proteins, 50, 2003
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
4L0N
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BU of 4l0n by Molmil
Crystal structure of STK3 (MST2) SARAH domain
Descriptor: Serine/threonine-protein kinase 3
Authors:Chaikuad, A, Krojer, T, Newman, J.A, Dixon-Clarke, S, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2013-05-31
Release date:2013-06-19
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Crystal structure of STK3 (MST2) SARAH domain
To be Published
3JZY
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BU of 3jzy by Molmil
Crystal structure of human Intersectin 2 C2 domain
Descriptor: Intersectin 2, UNKNOWN ATOM OR ION
Authors:Shen, Y, Tempel, W, Tong, Y, Li, Y, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Bochkarev, A, Park, H, Structural Genomics Consortium (SGC)
Deposit date:2009-09-24
Release date:2009-10-06
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:Crystal structure of human Intersectin 2 C2 domain
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
3K3S
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BU of 3k3s by Molmil
Crystal structure of altronate hydrolase (fragment 1-84) from Shigella Flexneri.
Descriptor: ACETATE ION, Altronate hydrolase, CHLORIDE ION, ...
Authors:Hou, J, Chruszcz, M, Xu, X, Le, B, Zimmerman, M.D, Savchenko, A, Edwards, A.M, Joachimiak, A, Minor, W, Midwest Center for Structural Genomics (MCSG)
Deposit date:2009-10-04
Release date:2009-10-27
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Crystal structure of altronate hydrolase (fragment 1-84) from Shigella Flexneri.
To be Published
9EJQ
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BU of 9ejq by Molmil
Crystal structure of DDB1 in complex with XS381952
Descriptor: (4S)-4-(3-ethoxyphenyl)-3-methyl-1-[(4R)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one, 1,2-ETHANEDIOL, DNA damage-binding protein 1, ...
Authors:Zeng, H, Ahmad, H, Wang, X, Sun, J, Dong, A, Seitova, A, Arrowsmith, C.H, Edwards, A.M, Peng, H, Halabelian, L, Structural Genomics Consortium (SGC)
Deposit date:2024-11-28
Release date:2025-02-26
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Crystal structure of DDB1 in complex with XS381952
To be published
9EJP
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BU of 9ejp by Molmil
Crystal structure of WDR91 in complex with XS838489
Descriptor: N-[(5R)-1,1-dioxo-2,3,4,5-tetrahydro-1H-1lambda~6~-benzothiepin-5-yl]-2-hydroxyquinoxaline-6-carboxamide, UNKNOWN ATOM OR ION, WD repeat-containing protein 91
Authors:Zeng, H, Ahmad, H, Wang, X, Sun, J, Dong, A, Seitova, A, Arrowsmith, C.H, Edwards, A.M, Peng, H, Halabelian, L, Structural Genomics Consortium (SGC)
Deposit date:2024-11-28
Release date:2025-02-26
Method:X-RAY DIFFRACTION (2.22 Å)
Cite:Crystal structure of WDR91 in complex with XS838489
To be published
9EJO
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BU of 9ejo by Molmil
Crystal structure of WDR91 in complex with XS381295
Descriptor: 6-(4-chlorophenyl)-1-methyl-5-[(3S)-1-methyl-2-oxo-2,3-dihydro-1H-indol-3-yl]-1H-pyrrolo[2,3-d]pyrimidine-2,4(3H,7H)-dione, UNKNOWN ATOM OR ION, WD repeat-containing protein 91
Authors:Zeng, H, Ahmad, H, Wang, X, Sun, J, Dong, A, Seitova, A, Arrowsmith, C.H, Edwards, A.M, Peng, H, Halabelian, L, Structural Genomics Consortium (SGC)
Deposit date:2024-11-28
Release date:2025-02-26
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure of WDR91 in complex with XS381295
To be published
9QNV
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BU of 9qnv by Molmil
CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX with compound 2
Descriptor: 1,2-ETHANEDIOL, 3-methyl-5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazole, Bromodomain-containing protein 4, ...
Authors:Krojer, T, Martinez-Cartro, M, Picaud, S, Filippakopoulos, P, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Barril, X, von Delft, F, Structural Genomics Consortium (SGC)
Deposit date:2025-03-25
Release date:2025-05-14
Method:X-RAY DIFFRACTION (1.226 Å)
Cite:CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX with compound 2
To Be Published
9QOB
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BU of 9qob by Molmil
CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX with compound 4
Descriptor: (5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)methanol, 1,2-ETHANEDIOL, Bromodomain-containing protein 4
Authors:Krojer, T, Martinez-Cartro, M, Picaud, S, Filippakopoulos, P, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Barril, X, von Delft, F.
Deposit date:2025-03-25
Release date:2025-05-14
Method:X-RAY DIFFRACTION (1.37 Å)
Cite:CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX with compound 2
To Be Published
9O0X
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BU of 9o0x by Molmil
Co-crystal structure of human TREX1 in complex with an inhibitor
Descriptor: 1,2-ETHANEDIOL, 5-({N-[(2,3-dichlorophenyl)methyl]-3,5-difluorobenzamido}methyl)-3-(methylamino)pyridine-2-carboxylic acid, MAGNESIUM ION, ...
Authors:Dehghani-Tafti, S, Dong, A, Li, Y, Ackloo, S, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC)
Deposit date:2025-04-03
Release date:2025-05-21
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Co-crystal structure of human TREX1 in complex with an inhibitor
To be published
9O0Y
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BU of 9o0y by Molmil
Co-crystal structure of human TREX1 in complex with an inhibitor
Descriptor: 1,2-ETHANEDIOL, MAGNESIUM ION, N-[(2,3-dichlorophenyl)methyl]-3,5-difluoro-N-[(pyridin-3-yl)methyl]benzamide, ...
Authors:Dehghani-Tafti, S, Dong, A, Li, Y, Ackloo, S, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC)
Deposit date:2025-04-03
Release date:2025-05-21
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Co-crystal structure of human TREX1 in complex with an inhibitor
To be published
9O0W
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BU of 9o0w by Molmil
Co-crystal structure of human TREX1 in complex with an inhibitor
Descriptor: 1,2-ETHANEDIOL, 5-({N-[(2,3-dichlorophenyl)methyl]-3,5-difluorobenzamido}methyl)pyridine-2-carboxylic acid, MAGNESIUM ION, ...
Authors:Dehghani-Tafti, S, Dong, A, Li, Y, Ackloo, S, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC)
Deposit date:2025-04-03
Release date:2025-05-21
Method:X-RAY DIFFRACTION (1.43 Å)
Cite:Co-crystal structure of human TREX1 in complex with an inhibitor
To be published

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