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4PY6
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BU of 4py6 by Molmil
Crystal Structure of bromodomain of PFA0510w from Plasmodium Falciparum
分子名称: 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, ...
著者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)
登録日2014-03-26
公開日2014-04-30
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献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
分子名称: NAD-dependent deacetylase sirtuin-6, SULFATE ION, UNKNOWN ATOM OR ION, ...
著者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)
登録日2010-11-11
公開日2011-01-26
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.04 Å)
主引用文献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
分子名称: Origin recognition complex subunit 2, UNKNOWN ATOM OR ION
著者Tempel, W, Xu, C, Dong, A, Loppnau, P, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
登録日2015-06-25
公開日2015-07-08
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献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
分子名称: 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
著者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)
登録日2022-03-10
公開日2023-01-18
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献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
分子名称: 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
著者Beldar, S, Dong, A, Brown, P.J, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC)
登録日2023-02-13
公開日2023-02-22
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献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
分子名称: 5'-S-[2-(benzylcarbamamido)ethyl]-5'-thioadenosine, Protein arginine N-methyltransferase 3, SULFATE ION
著者Song, X, Dong, A, Arrowsmith, C.H, Edwards, A.M, Deng, Y, Huang, R, Min, J.
登録日2023-02-03
公開日2023-04-26
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献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
分子名称: 5'-S-[3-(N'-benzylcarbamimidamido)propyl]-5'-thioadenosine, Protein arginine N-methyltransferase 3
著者Song, X, Dong, A, Deng, Y, Huang, R, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
登録日2023-02-03
公開日2023-05-10
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献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
分子名称: 5'-S-[2-(benzylcarbamamido)ethyl]-5'-thioadenosine, GLYCEROL, Histone-arginine methyltransferase CARM1, ...
著者Song, X, Dong, A, Deng, Y, Huang, R, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
登録日2023-02-03
公開日2023-12-13
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献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
分子名称: 5'-([2-(benzylcarbamamido)ethyl]{3-[N'-(3-bromophenyl)carbamimidamido]propyl}amino)-5'-deoxyadenosine, Histone-arginine methyltransferase CARM1, UNKNOWN ATOM OR ION
著者Song, X, Dong, A, Deng, Y, Huang, R, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
登録日2023-02-03
公開日2024-02-21
実験手法X-RAY DIFFRACTION (2.17 Å)
主引用文献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
分子名称: 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, ...
著者Kimani, S, Zeng, H, Dong, A, Li, Y, Santhakumar, V, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC)
登録日2023-03-03
公開日2023-03-22
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献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
分子名称: DNA-binding protein RFXANK, RFX7 peptide, UNKNOWN ATOM OR ION
著者Tempel, W, Xu, C, Dong, A, Li, Y, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
登録日2018-09-07
公開日2018-10-03
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献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
分子名称: Uncharacterized protein
著者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)
登録日2018-12-18
公開日2019-03-20
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献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
分子名称: 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
著者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)
登録日2018-12-18
公開日2019-01-23
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献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
分子名称: Bromodomain factor 2 protein, Bromosporine, SULFATE ION, ...
著者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)
登録日2018-12-29
公開日2019-01-30
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献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)
分子名称: Bromodomain factor 2 protein
著者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)
登録日2019-01-17
公開日2019-02-13
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.16 Å)
主引用文献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
分子名称: Bromodomain protein, putative, CHLORIDE ION, ...
著者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)
登録日2017-05-11
公開日2017-05-31
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.04 Å)
主引用文献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
分子名称: 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
著者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)
登録日2016-09-15
公開日2016-10-05
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献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
分子名称: 1,2-ETHANEDIOL, BETA-MERCAPTOETHANOL, Bromosporine, ...
著者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)
登録日2016-09-15
公開日2016-11-09
最終更新日2018-01-24
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献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)
分子名称: Histone-lysine N-methyltransferase NSD3, S-ADENOSYLMETHIONINE, UNKNOWN ATOM OR ION, ...
著者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)
登録日2017-02-02
公開日2017-02-15
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献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
分子名称: DNA (5'-D(P*CP*TP*(DN))-3'), Histone-lysine N-methyltransferase NSD2, UNKNOWN ATOM OR ION, ...
著者Qin, S, Tempel, W, Dong, A, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
登録日2017-03-31
公開日2017-06-28
最終更新日2021-08-04
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献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
分子名称: Chromodomain Y-like protein 2, SULFATE ION, UNKNOWN ATOM OR ION
著者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)
登録日2012-09-26
公開日2012-10-10
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献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
分子名称: UNKNOWN ATOM OR ION, ZINC ION, Zinc finger CCCH-type with G patch domain-containing protein
著者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)
登録日2012-12-19
公開日2013-02-13
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献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
分子名称: CITRIC ACID, SULFATE ION, Ubiquitin carboxyl-terminal hydrolase 15
著者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)
登録日2010-11-24
公開日2011-01-19
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献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
分子名称: DI(HYDROXYETHYL)ETHER, OTU domain-containing protein 5, SULFATE ION, ...
著者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)
登録日2010-10-29
公開日2010-12-15
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.702 Å)
主引用文献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
分子名称: NAD-dependent deacetylase sirtuin-6, SULFATE ION, UNKNOWN ATOM OR ION, ...
著者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)
登録日2010-11-11
公開日2011-01-26
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.12 Å)
主引用文献Structure and biochemical functions of SIRT6.
J.Biol.Chem., 286, 2011

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