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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
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
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
1L1S
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BU of 1l1s by Molmil
Structure of Protein of Unknown Function MTH1491 from Methanobacterium thermoautotrophicum
Descriptor: hypothetical protein MTH1491
Authors:Christendat, D, Saridakis, V, Kim, Y, Kumar, P.A, Xu, X, Semesi, A, Joachimiak, A, Arrowsmith, C.H, Edwards, A.M, Midwest Center for Structural Genomics (MCSG)
Deposit date:2002-02-19
Release date:2002-05-29
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The crystal structure of hypothetical protein MTH1491 from Methanobacterium thermoautotrophicum.
Protein Sci., 11, 2002
9MJG
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BU of 9mjg by Molmil
Crystal structure of HAT1 in complex with XS380871
Descriptor: (4S,7R)-4-(3-ethoxy-4-hydroxy-5-nitrophenyl)-7-(4-fluorophenyl)-4,6,7,8-tetrahydroquinoline-2,5(1H,3H)-dione, Histone acetyltransferase type B catalytic subunit
Authors:Zeng, H, Li, F, Wang, X, Sun, J, Dong, A, Peng, H, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC)
Deposit date:2024-12-15
Release date:2025-02-05
Method:X-RAY DIFFRACTION (2.58 Å)
Cite:Crystal structure of HAT1 in complex with XS380871
To be published
9MK7
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BU of 9mk7 by Molmil
Crystal structure of the WDR domain of WDR91 in complex with DR3634
Descriptor: (1R)-1-({(6M)-2-(methylamino)-6-[3-(pyrrolidin-1-yl)phenyl]pyrimidin-4-yl}amino)-2,3-dihydro-1H-indene-4-carbonitrile, UNKNOWN ATOM OR ION, WD repeat-containing protein 91
Authors:Zeng, H, Ahmad, H, Dong, A, Seitova, A, Owen, D, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC)
Deposit date:2024-12-16
Release date:2025-02-26
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:Crystal structure of the WDR domain of WDR91 in complex with DR3634
To be published
6EDF
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BU of 6edf by Molmil
Fragment of a tyrosine-protein kinase
Descriptor: FYN, GLYCEROL, UNKNOWN ATOM OR ION
Authors:Tempel, W, Huang, H, Sochirca, I, Liu, K, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Sidhu, S.S, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2018-08-09
Release date:2018-08-29
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Fragment of a tyrosine-protein kinase
To be Published
6FIC
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BU of 6fic by Molmil
Bivalent Inhibitor UNC4512 Bound to the TAF1 Bromodomain Tandem
Descriptor: 3-azanyl-2-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[3-azanyl-1-[[2-[[3-methyl-6-[4-methyl-3-(methylsulfonyl-$l^{2}-azanyl)cyclohexa-1,3,5-trien-1-yl]-[1,2,4]triazolo[4,3-b]pyridazin-8-yl]-$l^{2}-azanyl]-2-oxidanylidene-ethyl]amino]-1-oxidanylidene-propan-2-yl]amino]-2-oxidanylidene-ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-~{N}-[3-[[3-methyl-6-[4-methyl-3-(methylsulfonylamino)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-8-yl]amino]-3-oxidanylidene-propyl]propanamide, Transcription initiation factor TFIID subunit 1
Authors:Mathea, S, Suh, J.L, Salah, E, Tallant, C, Siejka, P, Pike, A.C.W, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, James, L.I, Frye, S.V, Knapp, S.
Deposit date:2018-01-17
Release date:2018-01-31
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:Bivalent Inhibitor UNC4512 Bound to the TAF1 Bromodomain Tandem
To Be Published
5JUW
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BU of 5juw by Molmil
complex of Dot1l with SS148
Descriptor: (2~{S})-2-azanyl-4-[[(2~{S},3~{S},4~{R},5~{R})-5-(4-azanyl-5-cyano-pyrrolo[2,3-d]pyrimidin-7-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methylsulfanyl]butanoic acid, Histone-lysine N-methyltransferase, H3 lysine-79 specific, ...
Authors:Yu, W, Tempel, W, Li, Y, Spurr, S.S, Bayle, E.D, Fish, P.V, Schapira, M, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Brown, P.J, Structural Genomics Consortium (SGC)
Deposit date:2016-05-10
Release date:2016-06-22
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Complex of Dot1l with SS148
To Be Published
5K29
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BU of 5k29 by Molmil
Trypanosoma brucei bromodomain BDF5 (Tb427tmp.01.5000)
Descriptor: UNKNOWN ATOM OR ION, uncharacterized protein BDF5
Authors:Lin, Y.H, Tempel, W, Walker, J.R, Loppnau, P, Amani, M, Hou, C.F.D, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Hui, R, Structural Genomics Consortium (SGC)
Deposit date:2016-05-18
Release date:2016-07-13
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Trypanosoma brucei bromodomain BDF5 (Tb427tmp.01.5000)
To Be Published
9AY9
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BU of 9ay9 by Molmil
Co-crystal structure of human PRMT9 in complex with MRK-990 inhibitor
Descriptor: 7-[5-S-(4-{[(2-tert-butylpyridin-3-yl)methyl]amino}butyl)-5-thio-beta-D-ribofuranosyl]-5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine, Protein arginine N-methyltransferase 9, UNKNOWN ATOM OR ION
Authors:Zeng, H, Dong, A, Li, Y, Hutchinson, A, Seitova, A, Li, Y, Gao, Y.D, Schneider, S, Siliphaivanh, P, Sloman, D, Nicholson, B, Fischer, C, Hicks, J, Brown, P.J, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC)
Deposit date:2024-03-07
Release date:2024-12-04
Method:X-RAY DIFFRACTION (2.22 Å)
Cite:Co-crystal structure of human PRMT9 in complex with MRK-990 inhibitor
To be published
9AVA
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BU of 9ava by Molmil
Co-crystal structure of human TREX1 in complex with an inhibitor
Descriptor: (2R)-2-[(5R,6S,8R,9aS)-8-amino-1-oxo-5-(2-phenylethyl)hexahydro-1H-pyrrolo[1,2-a][1,4]diazepin-2(3H)-yl]-N-[(3,4-dichlorophenyl)methyl]-4-methylpentanamide, POTASSIUM ION, Three-prime repair exonuclease 1, ...
Authors:Dehghani-Tafti, S, Dong, A, Li, Y, Xu, J, Ackloo, S, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC)
Deposit date:2024-03-01
Release date:2024-05-15
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Co-crystal structure of human TREX1 in complex with an inhibitor
To be published
4UYI
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BU of 4uyi by Molmil
Crystal structure of the BTB domain of human SLX4 (BTBD12)
Descriptor: STRUCTURE-SPECIFIC ENDONUCLEASE SUBUNIT SLX4
Authors:Pinkas, D.M, Sanvitale, C.E, Strain-Damerell, C, Fairhead, M, Wang, D, Tallant, C, Cooper, C.D.O, Sorrell, F.J, Kopec, J, Chaikuad, A, Fitzpatrick, F, Pike, A.C.W, Hozjan, V, Ying, Z, Roos, A.K, Savitsky, P, Bradley, A, Nowak, R, Filippakopoulos, P, Krojer, T, Burgess-Brown, N.A, Marsden, B.D, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.
Deposit date:2014-09-01
Release date:2014-10-01
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Crystal Structure of the Btb Domain of Human Slx4 (Btbd12)
To be Published
5CZG
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BU of 5czg by Molmil
Crystal Structure Analysis of hypothetical bromodomain Tb427.10.7420 from Trypanosoma brucei in complex with bromosporine
Descriptor: Bromosporine, Hypothetical Bromodomain, SODIUM ION, ...
Authors:Jiang, D.Q, Tempel, W, Loppnau, P, Graslund, S, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Hui, R, Amani, M, Hou, C.F.D, Structural Genomics Consortium (SGC)
Deposit date:2015-07-31
Release date:2015-08-12
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.451 Å)
Cite:Crystal Structure Analysis of hypothetical bromodomain from Trypanosoma brucei
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
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
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
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
9NIU
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BU of 9niu by Molmil
Co-crystal structure of FABP7 in complex with PFO3TDA
Descriptor: 1,2-ETHANEDIOL, Fatty acid-binding protein, brain, ...
Authors:Yang, D, Liu, J, Zeng, H, Dong, A, Arrowsmith, C.H, Edwards, A.M, Peng, H, Halabelian, L, Structural Genomics Consortium (SGC)
Deposit date:2025-02-26
Release date:2025-05-21
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Co-crystal structure of FABP7 in complex with PFO3TDA
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
7NSG
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BU of 7nsg by Molmil
Structure of human excitatory amino acid transporter 3 (EAAT3) in complex with HIP-B
Descriptor: (+)-3-Hydroxy-4,5,6,6a-tetrahydro-3aH-pyrrolo[3,4-d]isoxazole-6-carboxylic acid, (-)-3-Hydroxy-4,5,6,6a-tetrahydro-3aH-pyrrolo[3,4-d]isoxazole-6-carboxylic acid, 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, ...
Authors:Baronina, A, Pike, A.C.W, Yu, X, Dong, Y.Y, Shintre, C.A, Tessitore, A, Chu, A, Rotty, B, Venkaya, S, Mukhopadhyay, S.M.M, Borkowska, O, Chalk, R, Shrestha, L, Burgess-Brown, N.A, Edwards, A.M, Arrowsmith, C.H, Bountra, C, Han, S, Carpenter, E.P, Structural Genomics Consortium (SGC)
Deposit date:2021-03-05
Release date:2022-03-16
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (3.34 Å)
Cite:Structure of human excitatory amino acid transporter 3 (EAAT3) in complex with HIP-B
TO BE PUBLISHED
7B9W
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BU of 7b9w by Molmil
Crystal structure of MurE from E.coli in complex with Z757284380
Descriptor: 1,2-ETHANEDIOL, 3-Chloro-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]benzamide, UDP-N-acetylmuramoyl-L-alanyl-D-glutamate-2,6-diaminopimelate ligase
Authors:Koekemoer, L, Steindel, M, Fairhead, M, Arrowsmith, C.H, Edwards, A.M, Bountra, C, von Delft, F, Krojer, T, Structural Genomics Consortium (SGC)
Deposit date:2020-12-14
Release date:2021-01-20
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Crystal structure of MurE from E.coli
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
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
4LDG
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BU of 4ldg by Molmil
Crystal Structure of CpSET8 from Cryptosporidium, cgd4_370
Descriptor: MALONATE ION, Protein with a SET domain within carboxy region
Authors:Wernimont, A.K, Tempel, W, Loppnau, P, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Hui, R, El Bakkouri, M, Structural Genomics Consortium (SGC)
Deposit date:2013-06-24
Release date:2013-07-24
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:Crystal Structure of CpSET8 from Cryptosporidium, cgd4_370
To be Published

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