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9Y76
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BU of 9y76 by Molmil
Crystal structure of the human DCAF1 WDR domain in complex with OICR-40120
Descriptor: (4P,5M)-N-[(1S)-3-amino-1-(3-chloro-4-fluorophenyl)-3-oxopropyl]-4-(4-chloro-2-fluorophenyl)-5-{1-[2-(morpholin-4-yl)ethyl]-1H-pyrazol-4-yl}-1H-pyrrole-3-carboxamide, DDB1- and CUL4-associated factor 1, UNKNOWN LIGAND
Authors:kimani, S, Dong, A, Li, Y, Seitova, A, Mamai, A, Al-awar, R, Ackloo, S, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC)
Deposit date:2025-09-09
Release date:2025-10-15
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:Crystal structure of the human DCAF1 WDR domain in complex with OICR-40120
To be published
7A21
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BU of 7a21 by Molmil
Crystal structure of the ACVR1 (ALK2) kinase in complex with the compound M4K2158
Descriptor: 1,2-ETHANEDIOL, 4-methyl-3-[4-(pyrrolidin-1-ylmethyl)phenyl]-5-(3,4,5-trimethoxyphenyl)pyridine, Activin receptor type I, ...
Authors:Adamson, R.J, Williams, E.P, Smil, D, Burgess-Brown, N, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.N.
Deposit date:2020-08-14
Release date:2020-09-16
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 M4K2153
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
1EF4
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BU of 1ef4 by Molmil
SOLUTION STRUCTURE OF THE ESSENTIAL RNA POLYMERASE SUBUNIT RPB10 FROM METHANOBACTERIUM THERMOAUTOTROPHICUM
Descriptor: DNA-DIRECTED RNA POLYMERASE, ZINC ION
Authors:Mackereth, C.D, Arrowsmith, C.H, Edwards, A.M, Mcintosh, L.P, Northeast Structural Genomics Consortium (NESG)
Deposit date:2000-02-07
Release date:2000-06-14
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Zinc-bundle structure of the essential RNA polymerase subunit RPB10 from Methanobacterium thermoautotrophicum.
Proc.Natl.Acad.Sci.USA, 97, 2000
1EO0
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BU of 1eo0 by Molmil
CONSERVED DOMAIN COMMON TO TRANSCRIPTION FACTORS TFIIS, ELONGIN A, CRSP70
Descriptor: TRANSCRIPTION ELONGATION FACTOR S-II
Authors:Booth, V, Koth, C, Edwards, A.M, Arrowsmith, C.H, Northeast Structural Genomics Consortium (NESG)
Deposit date:2000-03-21
Release date:2000-05-03
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Structure of a conserved domain common to the transcription factors TFIIS, elongin A, and CRSP70
J.Biol.Chem., 275, 2000
1M94
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BU of 1m94 by Molmil
Solution Structure of the Yeast Ubiquitin-Like Modifier Protein Hub1
Descriptor: Protein YNR032c-a
Authors:Ramelot, T.A, Cort, J.R, Yee, A.A, Semesi, A, Edwards, A.M, Arrowsmith, C.H, Kennedy, M.A, Northeast Structural Genomics Consortium (NESG)
Deposit date:2002-07-26
Release date:2002-12-11
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Solution Structure of the Yeast Ubiquitin-Like Modifier Protein Hub1
J.STRUCT.FUNCT.GENOM., 4, 2003
5WCF
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BU of 5wcf by Molmil
Human HMT1 hnRNP methyltransferase-like protein 6 (S. cerevisiae)
Descriptor: (5R)-4-(5-bromofuran-2-carbonyl)-5-(4-fluorophenyl)-7-methyl-1,3,4,5-tetrahydro-2H-1,4-benzodiazepin-2-one, Protein arginine N-methyltransferase 6, S-ADENOSYL-L-HOMOCYSTEINE, ...
Authors:Dong, A, Zeng, H, Hutch, A, Seitova, A, Walker, J.R, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Brown, P.J, Wu, H, Structural Genomics Consortium (SGC)
Deposit date:2017-06-30
Release date:2017-08-02
Last modified:2024-12-25
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:The Crystal Structure of Human HMT1 hnRNP methyltransferase-like protein 6 in complex with MTLLE1441
to be published
5W9E
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BU of 5w9e by Molmil
Toxoplasma Gondii CDPK1 in complex with inhibitor GXJ-186
Descriptor: 1-tert-butyl-3-[(3-chlorophenyl)sulfanyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Calmodulin-domain protein kinase 1
Authors:El Bakkouri, M, Lovato, D, Loppnau, P, Lin, Y.H, Rutaganaria, F, Lopez, M.S, Shokat, L, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Sibley, D, Hui, R, Walker, J.R.
Deposit date:2017-06-23
Release date:2017-08-02
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.44 Å)
Cite:Toxoplasma Gondii CDPK1 in complex with inhibitor GXJ-186
To be published
5WCI
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BU of 5wci by Molmil
Human MYST histone acetyltransferase 1
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Histone acetyltransferase KAT8, ...
Authors:Dong, A, Zeng, H, Walker, J.R, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Zheng, Y.G, Brown, P.J, Wu, H, Structural Genomics Consortium (SGC)
Deposit date:2017-06-30
Release date:2017-07-26
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Human MYST histone acetyltransferase 1
to be published
6NEY
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BU of 6ney by Molmil
Crystal structure of TcBDF5, a bromodomain containing protein from Trypanosoma cruzi
Descriptor: Uncharacterized protein
Authors:Loppnau, P, Dong, A, Tempel, W, Lin, Y.H, 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:2019-03-20
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Crystal structure of TcBDF5, a bromodomain containing protein from Trypanosoma cruzi
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
6NPN
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BU of 6npn by Molmil
Crystal Structure of the Human vaccinia-related kinase bound to a N,N-dipropynyl-dihydropteridine-3-hydroxyindazole inhibitor
Descriptor: (7R)-7-methyl-2-[(3-oxo-2,3-dihydro-1H-indazol-6-yl)amino]-5,8-di(prop-2-yn-1-yl)-7,8-dihydropteridin-6(5H)-one, 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, ...
Authors:Counago, R.M, dos Reis, C.V, Takarada, J.E, Azevedo, A, Guimaraes, C, Mascarello, A, Gama, F, Ferreira, M, Massirer, K.B, Arruda, P, Edwards, A.M, Elkins, J.M, Structural Genomics Consortium (SGC)
Deposit date:2019-01-18
Release date:2019-02-20
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal Structure of the Human vaccinia-related kinase bound to a N,N-dipropynyl-dihydropteridine-3-hydroxyindazole inhibitor
To Be Published
6NCG
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BU of 6ncg by Molmil
Crystal Structure of Human Vaccinia-related kinase 2 (VRK-2) bound to pyridin-benzenesulfonamide inhibitor
Descriptor: 4-[6-amino-5-(3,5-difluoro-4-hydroxyphenyl)pyridin-3-yl]benzene-1-sulfonamide, SULFATE ION, Serine/threonine-protein kinase VRK2
Authors:dos Reis, C.V, Chiodi, C.G, de Souza, G.P, Guimaraes, C, Mascarello, A, Gama, F, Ferreira, M, Counago, R.M, Massirer, K.B, Elkins, J.M, Arruda, P, Edwards, A.M, Structural Genomics Consortium (SGC)
Deposit date:2018-12-11
Release date:2019-01-16
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Crystal Structure of Human Vaccinia-related kinase 2 (VRK-2) bound to pyridin-benzenesulfonamide inhibitor
To Be Published
6SFO
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BU of 6sfo by Molmil
MAPK14 with bound inhibitor SR-318
Descriptor: 5-azanyl-~{N}-[[4-(3-cyclohexylpropylcarbamoyl)phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide, GLYCEROL, Mitogen-activated protein kinase 14, ...
Authors:Schroeder, M, Edwards, A.M, Arrowsmith, C.H, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2019-08-01
Release date:2019-09-11
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:MAPK14 with bound inhibitor SR-318
To Be Published
6DD4
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BU of 6dd4 by Molmil
Crystal Structure of the Human vaccinia-related kinase bound to a N,N-dipropyl-dihydropteridine inhibitor
Descriptor: (7R)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-7-methyl-5,8-dipropyl-7,8-dihydropteridin-6(5H)-one, ACETATE ION, CHLORIDE ION, ...
Authors:dos Reis, C.V, Santiago, A.S, de Souza, G.P, Counago, R.M, Azevedo, A, Guimaraes, C, Mascarello, A, Gama, F, Ferreira, M, Massirer, K.B, Arruda, P, Edwards, A.M, Elkins, J.M, Structural Genomics Consortium (SGC)
Deposit date:2018-05-09
Release date:2018-05-23
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal Structure of the Human vaccinia-related kinase bound to a N,N-dipropyl-dihydropteridine inhibitor
To Be Published
6SRH
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BU of 6srh by Molmil
Crystal structure of the ACVR1 (ALK2) kinase in complex with the compound M4K2117
Descriptor: 1,2-ETHANEDIOL, 4-methyl-3-[4-(1-methylpiperidin-4-yl)phenyl]-5-(3,4,5-trimethoxyphenyl)pyridine, Activin receptor type-1, ...
Authors:Adamson, R.J, Williams, E.P, Smil, D, Burgess-Brown, N, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.N.
Deposit date:2019-09-05
Release date:2019-09-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Crystal structure of the ACVR1 (ALK2) kinase in complex with the compound M4K2117
To Be Published
3E77
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BU of 3e77 by Molmil
Human phosphoserine aminotransferase in complex with PLP
Descriptor: GLYCEROL, PYRIDOXAL-5'-PHOSPHATE, Phosphoserine aminotransferase
Authors:Lehtio, L, Karlberg, T, Andersson, J, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Dahlgren, L.G, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, A, Johansson, I, Kotenyova, T, Moche, M, Nilsson, M.E, Nordlund, P, Nyman, T, Olesen, K, Persson, C, Sagemark, J, Thorsell, S.G, Tresaugues, L, Van Den Berg, S, Welin, M, Wikstrom, M, Wisniewska, M, Weigelt, J, Schueler, H, Structural Genomics Consortium (SGC)
Deposit date:2008-08-18
Release date:2008-08-26
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Human phosphoserine aminotransferase in complex with PLP
TO BE PUBLISHED
5WBV
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BU of 5wbv by Molmil
Crystal Structure of the SET Domain of Human SUV420H1 In Complex With Inhibitor
Descriptor: 2-chloro-5-(4-methyl-6-oxo-3-phenylpyrano[2,3-c]pyrazol-1(6H)-yl)benzoic acid, Histone-lysine N-methyltransferase KMT5B, S-ADENOSYLMETHIONINE, ...
Authors:Halabelian, L, Tempel, W, Brown, P.J, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Structural Genomics Consortium (SGC)
Deposit date:2017-06-29
Release date:2017-07-19
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal Structure of the SET Domain of Human SUV420H1 In Complex With Inhibitor
To be published
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
7SLZ
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BU of 7slz by Molmil
CRYSTAL STRUCTURE OF GID4 IN COMPLEX WITH BPF023596
Descriptor: Glucose-induced degradation protein 4 homolog, N-[(1s,4s)-4-(1H-benzimidazol-2-yl)cyclohexyl]-N~2~-[(1H-indol-2-yl)methyl]glycinamide
Authors:Song, X, Dong, A, Calabrese, M, Wang, F, Owen, D, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2021-10-25
Release date:2022-01-19
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:CRYSTAL STRUCTURE OF GID4 IN COMPLEX WITH BPF023596
To Be Published
3UOW
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BU of 3uow by Molmil
Crystal Structure of PF10_0123, a GMP Synthetase from Plasmodium Falciparum
Descriptor: CALCIUM ION, GMP synthetase, XANTHOSINE-5'-MONOPHOSPHATE
Authors:Wernimont, A.K, Dong, A, Hills, T, Amani, M, Perieteanu, A, Lin, Y.H, Loppnau, P, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Hui, R, Structural Genomics Consortium (SGC)
Deposit date:2011-11-17
Release date:2011-12-07
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.72 Å)
Cite:Crystal Structure of PF10_0123, a GMP Synthetase from Plasmodium Falciparum
TO BE PUBLISHED
4NR5
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BU of 4nr5 by Molmil
Crystal structure of the bromodomain of human CREBBP in complex with an isoxazolyl-benzimidazole ligand
Descriptor: 1,2-ETHANEDIOL, 5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[2-(morpholin-4-yl)ethyl]-2-(2-phenylethyl)-1H-benzimidazole, CREB-binding protein, ...
Authors:Filippakopoulos, P, Picaud, S, Felletar, I, Hay, D, Fedorov, O, Martin, S, Pike, A.W, von Delft, F, Brennan, P, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2013-11-26
Release date:2013-12-18
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:Crystal structure of the bromodomain of human CREBBP in complex with an isoxazolyl-benzimidazole ligand
To be Published
4NR6
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BU of 4nr6 by Molmil
Crystal structure of the bromodomain of human CREBBP in complex with an oxazepin ligand
Descriptor: 1-[7-(3,4-dimethoxyphenyl)-9-{[(3R)-1-methylpiperidin-3-yl]methoxy}-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]propan-1-one, CREB-binding protein
Authors:Filippakopoulos, P, Picaud, S, Felletar, I, Hay, D, Fedorov, O, Martin, S, Chaikuad, A, von Delft, F, Brennan, P, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2013-11-26
Release date:2013-12-18
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:Crystal structure of the bromodomain of human CREBBP in complex with an oxazepin ligand
To be Published
4NR2
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BU of 4nr2 by Molmil
Crystal structure of STK4 (MST1) SARAH domain
Descriptor: 1,2-ETHANEDIOL, Serine/threonine-protein kinase 4
Authors:Chaikuad, A, Krojer, T, Kopec, J, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2013-11-26
Release date:2014-01-29
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of STK4 (MST1) SARAH domain
To be Published

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