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4PY6
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BU of 4py6 by Molmil
Crystal Structure of bromodomain of PFA0510w from Plasmodium Falciparum
Descriptor: 1,2-ETHANEDIOL, 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, Bromodomain protein, ...
Authors:Fonseca, M, Tallant, C, Hutchinson, A, Savitsky, P, Krojer, T, Filippakopoulos, P, Loppnau, P, Brennan, P.E, von Delft, F, Dong, A, Josling, G.A, Duffy, M.F, Arrowsmith, C.H, Bountra, C, Hui, R, Knapp, S, Wernimont, A.K, Structural Genomics Consortium (SGC)
Deposit date:2014-03-26
Release date:2014-04-30
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal Structure of bromodomain of PFA0510w from Plasmodium Falciparum
To be Published
3PKI
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BU of 3pki by Molmil
Human SIRT6 crystal structure in complex with ADP ribose
Descriptor: NAD-dependent deacetylase sirtuin-6, SULFATE ION, UNKNOWN ATOM OR ION, ...
Authors:Pan, P.W, Dong, A, Qiu, W, Loppnau, P, Wang, J, Ravichandran, M, Bochkarev, A, Bountra, C, Weigelt, J, Arrowsmith, C.H, Min, J, Edwards, A.M, Structural Genomics Consortium (SGC)
Deposit date:2010-11-11
Release date:2011-01-26
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Structure and biochemical functions of SIRT6.
J.Biol.Chem., 286, 2011
5C8H
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BU of 5c8h by Molmil
Crystal structure of ORC2 C-terminal domain
Descriptor: Origin recognition complex subunit 2, UNKNOWN ATOM OR ION
Authors:Tempel, W, Xu, C, Dong, A, Loppnau, P, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2015-06-25
Release date:2015-07-08
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Crystal structure of ORC2 C-terminal domain
To Be Published
7U9I
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BU of 7u9i by Molmil
Co-crystal structure of human CARM1 in complex with MT556 inhibitor
Descriptor: 7-[5-S-(4-{[(4-ethylpyridin-3-yl)methyl]amino}butyl)-5-thio-beta-D-ribofuranosyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine, Histone-arginine methyltransferase CARM1, UNKNOWN ATOM OR ION
Authors:Zeng, H, Perveen, S, Dong, A, Hutchinson, A, Seitova, A, Gibson, E, Hajian, T, Li, Y, Gao, Y.D, Schneider, S, Siliphaivanh, P, Sloman, D, Nicholson, B, Fischer, C, Hicks, J, Vedadi, M, Brown, P.J, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC)
Deposit date:2022-03-10
Release date:2023-01-18
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2 Å)
Cite:Co-crystal structure of human CARM1 in complex with MT556 inhibitor
To Be Published
8G5E
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BU of 8g5e by Molmil
Crystal Structure of SETDB1 Tudor domain in complex with UNC6535
Descriptor: Histone-lysine N-methyltransferase SETDB1, N~4~-[6-(dimethylamino)hexyl]-N~2~-[5-(dimethylamino)pentyl]-6,7-dimethoxyquinazoline-2,4-diamine, UNKNOWN ATOM OR ION
Authors:Beldar, S, Dong, A, Brown, P.J, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC)
Deposit date:2023-02-13
Release date:2023-02-22
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Crystal Structure of SETDB1 Tudor domain in complex with UNC6535
To be published
8G2G
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BU of 8g2g by Molmil
Crystal structure of PRMT3 with compound YD1113
Descriptor: 5'-S-[2-(benzylcarbamamido)ethyl]-5'-thioadenosine, Protein arginine N-methyltransferase 3, SULFATE ION
Authors:Song, X, Dong, A, Arrowsmith, C.H, Edwards, A.M, Deng, Y, Huang, R, Min, J.
Deposit date:2023-02-03
Release date:2023-04-26
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:A unique binding pocket induced by a noncanonical SAH mimic to develop potent and selective PRMT inhibitors.
Acta Pharm Sin B, 13, 2023
8G2F
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BU of 8g2f by Molmil
Crystal Structure of PRMT3 with Compound II710
Descriptor: 5'-S-[3-(N'-benzylcarbamimidamido)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:2023-02-03
Release date:2023-05-10
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:A unique binding pocket induced by a noncanonical SAH mimic to develop potent and selective PRMT inhibitors.
Acta Pharm Sin B, 13, 2023
8G2H
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BU of 8g2h by Molmil
Crystal Structure of PRMT4 with Compound YD1113
Descriptor: 5'-S-[2-(benzylcarbamamido)ethyl]-5'-thioadenosine, GLYCEROL, 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:2023-02-03
Release date:2023-12-13
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:A unique binding pocket induced by a noncanonical SAH mimic to develop potent and selective PRMT inhibitors.
Acta Pharm Sin B, 13, 2023
8G2I
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BU of 8g2i by Molmil
Crystal Structure of PRMT4 with Compound YD1290
Descriptor: 5'-([2-(benzylcarbamamido)ethyl]{3-[N'-(3-bromophenyl)carbamimidamido]propyl}amino)-5'-deoxyadenosine, Histone-arginine methyltransferase CARM1, UNKNOWN ATOM OR ION
Authors:Song, X, Dong, A, Deng, Y, Huang, R, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2023-02-03
Release date:2024-02-21
Method:X-RAY DIFFRACTION (2.17 Å)
Cite:A unique binding pocket induced by a noncanonical SAH mimic to develop potent and selective PRMT inhibitors.
Acta Pharm Sin B, 13, 2023
8GCY
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BU of 8gcy by Molmil
Co-crystal structure of CBL-B in complex with N-Aryl isoindolin-1-one inhibitor
Descriptor: 1,2-ETHANEDIOL, 2-{3-[(1s,3R)-3-methyl-1-(4-methyl-4H-1,2,4-triazol-3-yl)cyclobutyl]phenyl}-6-{[(3S)-3-methylpiperidin-1-yl]methyl}-4-(trifluoromethyl)-2,3-dihydro-1H-isoindol-1-one, E3 ubiquitin-protein ligase CBL-B, ...
Authors:Kimani, S, Zeng, H, Dong, A, Li, Y, Santhakumar, V, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC)
Deposit date:2023-03-03
Release date:2023-03-22
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:The co-crystal structure of Cbl-b and a small-molecule inhibitor reveals the mechanism of Cbl-b inhibition.
Commun Biol, 6, 2023
6MEW
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BU of 6mew by Molmil
RFXANK ankyrin repeats in complex with a RFX7 peptide
Descriptor: DNA-binding protein RFXANK, RFX7 peptide, UNKNOWN ATOM OR ION
Authors:Tempel, W, Xu, C, Dong, A, Li, Y, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2018-09-07
Release date:2018-10-03
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:RFXANK ankyrin repeats in complex with a RFX7 peptide
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
6NIM
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BU of 6nim by Molmil
Trypanosoma cruzi - BDF2, TcCLB.506553.20, solved with bromosporine
Descriptor: Bromodomain factor 2 protein, Bromosporine, SULFATE ION, ...
Authors:Lin, Y.H, Dong, A, Tempel, W, Loppnau, P, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Hui, R, Vedadi, M, Harding, R, Structural Genomics Consortium (SGC)
Deposit date:2018-12-29
Release date:2019-01-30
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Trypanosoma cruzi - BDF2, TcCLB.506553.20, solved with bromosporine
to be published
6NP7
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BU of 6np7 by Molmil
Crystal structure of Trypanosoma cruzi bromodomain BDF2 (TcCLB.506553.20)
Descriptor: Bromodomain factor 2 protein
Authors:Lin, Y.H, Dong, A, Loppnau, P, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Vedadi, M, Hui, R, Harding, R.J, Structural Genomics Consortium (SGC)
Deposit date:2019-01-17
Release date:2019-02-13
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.16 Å)
Cite:Crystal structure of Trypanosoma cruzi bromodomain BDF2 (TcCLB.506553.20)
to be published
5VS7
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BU of 5vs7 by Molmil
Bromodomain of PF3D7_1475600 from Plasmodium falciparum complexed with peptide H4K5ac
Descriptor: Bromodomain protein, putative, CHLORIDE ION, ...
Authors:Hou, C.F.D, Loppnau, P, Dong, A, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Hui, R, Walker, J.R, Structural Genomics Consortium (SGC)
Deposit date:2017-05-11
Release date:2017-05-31
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Bromodomain of PF3D7_1475600 from Plasmodium falciparum complexed with peptide H4K5ac
To be published
5TCM
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BU of 5tcm by Molmil
First Bromodomain from Leishmania donovani LdBPK.091320 complexed with BI-2536
Descriptor: 1,2-ETHANEDIOL, 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, Uncharacterized protein
Authors:Lin, Y.H, Hou, C.F.D, Loppnau, P, Dong, A, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Hui, R, Walker, J.R, Structural Genomics Consortium (SGC)
Deposit date:2016-09-15
Release date:2016-10-05
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:First Bromodomain from Leishmania donovani LdBPK.091320 complexed with BI-2536
To be published
5TCK
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BU of 5tck by Molmil
Second Bromodomain from Leishmania donovani LdBPK.091320 complexed with Bromosporine
Descriptor: 1,2-ETHANEDIOL, BETA-MERCAPTOETHANOL, Bromosporine, ...
Authors:Lin, L.-H, Hou, C.F.D, Loppnau, P, Dong, A, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Hui, R, Walker, J.R, Structural Genomics Consortium (SGC)
Deposit date:2016-09-15
Release date:2016-11-09
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Second Bromodomain from Leishmania donovani LdBPK.091320 complexed with Bromosporine
To Be Published
5UPD
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BU of 5upd by Molmil
Methyltransferase domain of human Wolf-Hirschhorn Syndrome Candidate 1-Like protein 1 (WHSC1L1)
Descriptor: Histone-lysine N-methyltransferase NSD3, S-ADENOSYLMETHIONINE, UNKNOWN ATOM OR ION, ...
Authors:Tempel, W, Yu, W, Dong, A, Cerovina, T, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Brown, P.J, Wu, H, Structural Genomics Consortium (SGC)
Deposit date:2017-02-02
Release date:2017-02-15
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Methyltransferase domain of human Wolf-Hirschhorn Syndrome Candidate 1-Like protein 1 (WHSC1L1)
To Be Published
5VC8
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BU of 5vc8 by Molmil
Crystal structure of the WHSC1 PWWP1 domain
Descriptor: DNA (5'-D(P*CP*TP*(DN))-3'), Histone-lysine N-methyltransferase NSD2, UNKNOWN ATOM OR ION, ...
Authors:Qin, S, Tempel, W, Dong, A, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2017-03-31
Release date:2017-06-28
Last modified:2021-08-04
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Histone and DNA binding ability studies of the NSD subfamily of PWWP domains.
Biochem.Biophys.Res.Commun., 569, 2021
4HAE
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BU of 4hae by Molmil
Crystal structure of the CDYL2-chromodomain
Descriptor: Chromodomain Y-like protein 2, SULFATE ION, UNKNOWN ATOM OR ION
Authors:Qin, S, Dombrovski, L, Tempel, W, Dong, A, Xu, C, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Wu, H, Structural Genomics Consortium (SGC)
Deposit date:2012-09-26
Release date:2012-10-10
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of the CDYL2-chromodomain
To be Published
4II1
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BU of 4ii1 by Molmil
Crystal structure of the zinc finger of ZGPAT
Descriptor: UNKNOWN ATOM OR ION, ZINC ION, Zinc finger CCCH-type with G patch domain-containing protein
Authors:Bian, C, Tempel, W, Dong, A, Chao, X, Fu, M, Wernimont, A.K, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2012-12-19
Release date:2013-02-13
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Crystal structure of the zinc finger of ZGPAT
to be published
3PPA
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BU of 3ppa by Molmil
Structure of the Dusp-Ubl domains of Usp15
Descriptor: CITRIC ACID, SULFATE ION, Ubiquitin carboxyl-terminal hydrolase 15
Authors:Walker, J.R, Asinas, A.E, Dong, A, Weigelt, J, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Dhe-Paganon, S, Structural Genomics Consortium (SGC)
Deposit date:2010-11-24
Release date:2011-01-19
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Structure of the Dusp-Ubl Domains of the Ubiquitin-Specific Protease 15
To be Published
3PFY
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BU of 3pfy by Molmil
The catalytic domain of human OTUD5
Descriptor: DI(HYDROXYETHYL)ETHER, OTU domain-containing protein 5, SULFATE ION, ...
Authors:Walker, J.R, Asinas, A.E, Crombet, L, Dong, A, Weigelt, J, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Dhe-Paganon, S, Structural Genomics Consortium (SGC)
Deposit date:2010-10-29
Release date:2010-12-15
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.702 Å)
Cite:The catalytic domain of human OTUD5
To be Published
3PKJ
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BU of 3pkj by Molmil
Human SIRT6 crystal structure in complex with 2'-N-Acetyl ADP ribose
Descriptor: NAD-dependent deacetylase sirtuin-6, SULFATE ION, UNKNOWN ATOM OR ION, ...
Authors:Pan, P.W, Dong, A, Qiu, W, Loppnau, P, Wang, J, Ravichandran, M, Walker, J.R, Bountra, C, Weigelt, J, Arrowsmith, C.H, Min, J, Edwards, A.M, Structural Genomics Consortium (SGC)
Deposit date:2010-11-11
Release date:2011-01-26
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:Structure and biochemical functions of SIRT6.
J.Biol.Chem., 286, 2011

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