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8F8E
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BU of 8f8e by Molmil
Crystal structure of the WDR domain of human DCAF1 in complex with OICR-8268 compound
分子名称: (3P)-N-[(1S)-3-amino-1-(3-chloro-4-fluorophenyl)-3-oxopropyl]-3-(4-chloro-2-fluorophenyl)-1H-pyrazole-4-carboxamide, CITRIC ACID, DDB1- and CUL4-associated factor 1
著者Kimani, S, Li, A, Dong, A, Li, Y, Hutchinson, A, Seitova, A, Wilson, B, Al-Awar, R, Vedadi, M, Brown, P, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC)
登録日2022-11-21
公開日2023-03-01
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Crystal structure of the WDR domain of human DCAF1 in complex with OICR-8268 compound
To be published
8D41
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BU of 8d41 by Molmil
Crystal structure of the human COPB2 WD-domain in complex with OICR-6254
分子名称: (1R,2R,3S,4S)-3-[4-(4-fluorophenyl)piperazine-1-carbonyl]bicyclo[2.2.1]heptane-2-carboxylic acid, Coatomer subunit beta', GLYCEROL, ...
著者Zeng, H, Saraon, P, Dong, A, Hutchinson, A, Seitova, A, Loppnau, P, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC)
登録日2022-06-01
公開日2022-07-06
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of the human COPB2 WD-domain in complex with OICR-6254
To Be Published
8D30
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BU of 8d30 by Molmil
Crystal structure of the human COPB2 WD-domains
分子名称: 1,2-ETHANEDIOL, Coatomer subunit beta'
著者Zeng, H, Dong, A, Hutchinson, A, Seitova, A, Loppnau, P, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC)
登録日2022-05-31
公開日2022-11-16
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal structure of the human COPB2 WD-domains
To Be Published
8DYS
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BU of 8dys by Molmil
Crystal structure of human Eukaryotic translation initiation factor 2A (eIF2A)
分子名称: 1,2-ETHANEDIOL, Eukaryotic translation initiation factor 2A, GLYCEROL, ...
著者Righetto, G.L, Zeng, H, Dong, A, Li, Y, Hutchinson, A, Seitova, A, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC)
登録日2022-08-05
公開日2022-08-17
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structure of human Eukaryotic translation initiation factor 2A (eIF2A)
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
6DVR
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BU of 6dvr by Molmil
Crystal structure of human CARM1 with (R)-SKI-72
分子名称: (2R,5S)-2-amino-6-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]-5-[(benzylamino)methyl]-N-[2-(4-methoxyphenyl)ethyl]hexanamide (non-preferred name), 2,5,8,11,14,17-HEXAOXANONADECAN-19-OL, Histone-arginine methyltransferase CARM1, ...
著者Dong, A, Zeng, H, Hutchinson, A, Seitova, A, Luo, M, Cai, X.C, Ke, W, Wang, J, Shi, C, Zheng, W, Lee, J.P, Ibanez, G, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Brown, P.J, Structural Genomics Consortium (SGC)
登録日2018-06-25
公開日2018-07-25
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献Crystal structure of human CARM1 with (R)-SKI-72
to be published
7KLJ
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BU of 7klj by Molmil
Crystal structure of the WD-repeat domain of human KIF21A
分子名称: 1,2-ETHANEDIOL, Isoform 2 of Kinesin-like protein KIF21A, UNKNOWN ATOM OR ION
著者Zeng, H, Dong, A, Loppnau, P, Hutchinson, A, Seitova, A, Edwards, A.M, Arrowsmith, C.H, Halabelian, L, Structural Genomics Consortium (SGC)
登録日2020-10-30
公開日2020-12-16
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.52 Å)
主引用文献Crystal structure of the WD-repeat domain of human KIF21A
To be Published
7KYX
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BU of 7kyx by Molmil
Crystal structure of human CORO6
分子名称: Coronin-6, UNKNOWN ATOM OR ION
著者Zeng, H, Dong, A, Loppnau, P, Hutchinson, A, Seitova, A, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC)
登録日2020-12-09
公開日2021-01-27
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Crystal structure of human CORO6
To Be Published
7KQQ
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BU of 7kqq by Molmil
Crystal structure of human WDR55
分子名称: UNKNOWN ATOM OR ION, WD repeat-containing protein 55
著者Zeng, H, Hutchinson, A, Li, Y, Seitova, A, Edwards, A.M, Arrowsmith, C.H, Halabelian, L, Structural Genomics Consortium (SGC)
登録日2020-11-17
公開日2020-12-30
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structure of human WDR55
To Be Published
4ZGC
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BU of 4zgc by Molmil
Crystal Structure Analysis of Kelch protein (with disulfide bond) from Plasmodium falciparum
分子名称: Kelch protein, UNKNOWN ATOM OR ION
著者Jiang, D.Q, Tempel, W, Loppnau, P, Graslund, S, He, H, Ravichandran, M, Seitova, A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, El Bakkouri, M, Senisterra, G, Osman, K.T, Lovato, D.V, Hui, R, Hutchinson, A, Lin, Y.H, Structural Genomics Consortium (SGC)
登録日2015-04-22
公開日2015-06-10
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal structure of kelch protein with disulfide bond from Plasmodium falciparum.
to be published
5E26
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BU of 5e26 by Molmil
Crystal structure of human PANK2: the catalytic core domain in complex with pantothenate and adenosine diphosphate
分子名称: ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, GLYCEROL, ...
著者DONG, A, LOPPNAU, P, RAVICHANDRAN, M, CHENG, C, TEMPEL, W, SEITOVA, A, HUTCHINSON, A, HONG, B.S, Bountra, C, Arrowsmith, C.H, Edwards, A.M, BROWN, P.J, Structural Genomics Consortium (SGC)
登録日2015-09-30
公開日2015-10-21
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.14 Å)
主引用文献Crystal structure of human PANK2: the catalytic core domain in complex with pantothenate and adenosine diphosphate
to be published
4YY8
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BU of 4yy8 by Molmil
Crystal Structure Analysis of Kelch protein from Plasmodium falciparum
分子名称: GLYCEROL, Kelch protein, UNKNOWN ATOM OR ION
著者Jiang, D.Q, Tempel, W, Loppnau, P, Graslund, S, He, H, Ravichandran, M, Seitova, A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, El Bakkouri, M, Senisterra, G, Osman, K.T, Lovato, D.V, Hui, R, Hutchinson, A, Lin, Y.H, Structural Genomics Consortium (SGC)
登録日2015-03-23
公開日2015-04-01
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献Crystal Structure Analysis of Kelch protein from Plasmodium falciparum.
to be published
4H34
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BU of 4h34 by Molmil
Crystal structure of the tyrosine phosphatase SHP-2 with Q506P mutation
分子名称: 1,2-ETHANEDIOL, GLYCEROL, Tyrosine-protein phosphatase non-receptor type 11
著者Qiu, W, Lin, A, Hutchinson, A, Romanov, V, Ruzanov, M, Thompson, C, Lam, K, Kisselman, G, Battaile, K, Chirgadze, N.Y.
登録日2012-09-13
公開日2013-10-02
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Crystal structure of the tyrosine phosphatase SHP-2 with Q506P mutation
To be Published
4H1O
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BU of 4h1o by Molmil
Crystal structure of the tyrosine phosphatase SHP-2 with D61G mutation
分子名称: 1,2-ETHANEDIOL, Tyrosine-protein phosphatase non-receptor type 11
著者Qiu, W, Lin, A, Hutchinson, A, Romanov, V, Ruzanov, M, Thompson, C, Lam, K, Kisselman, G, Battaile, K, Chirgadze, N.Y.
登録日2012-09-11
公開日2013-09-11
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structure of the tyrosine phosphatase SHP-2 with D61G mutation
To be Published
4GWF
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BU of 4gwf by Molmil
Crystal structure of the tyrosine phosphatase SHP-2 with Y279C mutation
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
著者Qiu, W, Lin, A, Hutchinson, A, Romanov, V, Ruzanov, M, Thompson, C, Lam, K, Kisselman, G, Battaile, K, Chirgadze, N.Y.
登録日2012-09-03
公開日2013-09-04
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal structure of the tyrosine phosphatase SHP-2 with Y279C mutation
TO BE PUBLISHED
5C5C
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BU of 5c5c by Molmil
Human metabotropic glutamate receptor 7, extracellular ligand binding domain
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, GLYCEROL, ...
著者Dong, A, Dobrovetsky, E, Hutchinson, A, Tempel, W, Edwards, A.M, Bountra, C, Arrowsmith, C.H, Structural Genomics Consortium (SGC)
登録日2015-06-19
公開日2015-07-15
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.862 Å)
主引用文献Human metabotropic glutamate receptor 7, extracellular ligand binding domain
to be published
8SHJ
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BU of 8shj by Molmil
Crystal structure of the WD-repeat domain of human WDR91 in complex with MR45279
分子名称: N-[3-(4-chlorophenyl)oxetan-3-yl]-4-[(3S)-3-hydroxypyrrolidin-1-yl]benzamide, WD repeat-containing protein 91
著者Ahmad, H, Zeng, H, Dong, A, Li, Y, Hutchinson, A, Seitova, A, Xu, J, Feng, J.W, Brown, P.J, Ackloo, S, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC)
登録日2023-04-14
公開日2023-07-05
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献Discovery of a First-in-Class Small-Molecule Ligand for WDR91 Using DNA-Encoded Chemical Library Selection Followed by Machine Learning.
J.Med.Chem., 66, 2023
5DYL
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BU of 5dyl by Molmil
Crystal structure of the cGMP-dependent protein kinase PKG from Plasmodium Vivax - Apo form
分子名称: cGMP-dependent protein kinase, putative
著者Wernimont, A.K, Tempel, W, He, H, Seitova, A, Hills, T, Neculai, A.M, Baker, D.A, Flueck, C, Kettleborough, C.A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Hui, R, Hutchinson, A, El Bakkouri, M, Structural Genomics Consortium (SGC)
登録日2015-09-24
公開日2015-11-04
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structures of the cGMP-dependent protein kinase in malaria parasites reveal a unique structural relay mechanism for activation.
Proc.Natl.Acad.Sci.USA, 116, 2019
5DYK
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BU of 5dyk by Molmil
Crystal structure of the cGMP-dependent protein kinase PKG from Plasmodium falciparum - Apo form
分子名称: 1,2-ETHANEDIOL, CGMP-dependent protein kinase, GLYCEROL, ...
著者Wernimont, A.K, Tempel, W, He, H, Seitova, A, Hills, T, Neculai, A.M, Baker, D.A, Flueck, C, Kettleborough, C.A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Hui, R, Hutchinson, A, El Bakkouri, M, Structural Genomics Consortium (SGC)
登録日2015-09-24
公開日2015-11-04
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Structures of the cGMP-dependent protein kinase in malaria parasites reveal a unique structural relay mechanism for activation.
Proc.Natl.Acad.Sci.USA, 116, 2019
5DZC
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BU of 5dzc by Molmil
Crystal structure of the cGMP-dependent protein kinase PKG from Plasmodium Vivax - AMPPNP bound
分子名称: CHLORIDE ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, SODIUM ION, ...
著者Walker, J.R, El Bakkouri, M, Loppnau, P, Graslund, S, He, H, Seitova, A, Hutchinson, A, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Hui, R, Amani, M, Structural Genomics Consortium (SGC)
登録日2015-09-25
公開日2015-10-14
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structures of the cGMP-dependent protein kinase in malaria parasites reveal a unique structural relay mechanism for activation.
Proc.Natl.Acad.Sci.USA, 116, 2019
4NWF
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BU of 4nwf by Molmil
Crystal structure of the tyrosine phosphatase SHP-2 with N308D mutation
分子名称: 1,2-ETHANEDIOL, GLYCEROL, Tyrosine-protein phosphatase non-receptor type 11
著者Qiu, W, Lin, A, Hutchinson, A, Romanov, V, Ruzanov, M, Thompson, C, Lam, K, Kisselman, G, Battalie, K, Chirgadze, N.Y.
登録日2013-12-06
公開日2014-12-10
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal structure of the tyrosine phosphatase SHP-2 with N308D mutation
To be Published
4NXJ
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BU of 4nxj by Molmil
Crystal Structure of PF3D7_1475600, a bromodomain from Plasmodium Falciparum
分子名称: Bromodomain protein
著者Wernimont, A.K, Loppnau, P, Knapp, S, Fonseca, M, Brennan, P.E, Dong, A, Walker, J.R, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Hui, R, Hutchinson, A, Structural Genomics Consortium (SGC)
登録日2013-12-09
公開日2014-03-19
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.18 Å)
主引用文献Crystal Structure of PF3D7_1475600, a bromodomain from Plasmodium Falciparum
TO BE PUBLISHED
5F0A
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BU of 5f0a by Molmil
CRYSTAL STRUCTURE OF PVX_084705 WITH BOUND 1-tert-butyl-3-(3-chlorophenoxy)-1H-pyrazolo[3,4-d]pyrimidin-4-amine INHIBITOR
分子名称: 1-tert-butyl-3-(3-chlorophenoxy)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, cGMP-dependent protein kinase, putative
著者Walker, J.R, Wernimont, A.K, He, H, Seitova, A, Loppnau, P, Sibley, L.D, Graslund, S, Hutchinson, A, Bountra, C, Weigelt, J, Edwards, A.M, Arrowsmith, C.H, Hui, R, El Bakkouri, M, Structural Genomics Consortium (SGC)
登録日2015-11-27
公開日2015-12-16
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献CRYSTAL STRUCTURE OF PVX_084705 WITH BOUND INHIBITOR
To be published
5FET
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Crystal Structure of PVX_084705 in presence of Compound 2
分子名称: 4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine, cGMP-dependent protein kinase, putative
著者Wernimont, A.K, Tempel, W, Walker, J.R, He, H, Seitova, A, Hills, T, Neculai, A.M, Baker, D.A, Flueck, C, Kettleborough, C.A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Hui, R, Hutchinson, A, El Bakkouri, M, Structural Genomics Consortium (SGC)
登録日2015-12-17
公開日2016-01-13
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (3.07 Å)
主引用文献Crystal Structure of PVX_084705 in presence of Compound 2
To be published
4NWG
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Crystal structure of the tyrosine phosphatase SHP-2 with E139D mutation
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, SULFATE ION, ...
著者Qiu, W, Lin, A, Hutchinson, A, Romanov, V, Ruzanov, M, Thompson, C, Lam, K, Kisselman, G, Battalie, K, Chirgadze, N.Y.
登録日2013-12-06
公開日2014-12-10
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Crystal structure of the tyrosine phosphatase SHP-2 with E139D mutation
To be Published

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