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6GMC
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BU of 6gmc by Molmil
1.2 A resolution structure of human hydroxyacid oxidase 1 bound with FMN and 4-carboxy-5-[(4-chlorophenyl)sulfanyl]-1,2,3-thiadiazole
分子名称: 1,2-ETHANEDIOL, 5-[(4-chlorophenyl)sulfanyl]-1,2,3-thiadiazole-4-carboxylate, FLAVIN MONONUCLEOTIDE, ...
著者MacKinnon, S, Bezerra, G.A, Krojer, T, Smee, C, Arrowsmith, C.H, Edwards, E, Bountra, C, Oppermann, U, Brennan, P.E, Yue, W.W.
登録日2018-05-24
公開日2018-06-13
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Structure of human hydroxyacid oxidase 1 bound with FMN and glycolate
To Be Published
6D0S
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BU of 6d0s by Molmil
RabGAP domain of human TBC1D22B
分子名称: SULFATE ION, TBC1 domain family member 22B, UNKNOWN ATOM OR ION
著者Tong, Y, Tempel, W, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Park, H, Structural Genomics Consortium (SGC)
登録日2018-04-10
公開日2018-06-06
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献RabGAP domain of human TBC1D22B
To be Published
5VEI
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BU of 5vei by Molmil
Crystal structure of the SH3 domain of human sorbin and SH3 domain-containing protein 2
分子名称: Sorbin and SH3 domain-containing protein 2, UNKNOWN ATOM OR ION
著者Liu, Y, Tempel, W, Huang, H, Gu, J, Liu, K, Sidhu, S.S, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
登録日2017-04-04
公開日2017-08-02
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.33 Å)
主引用文献Crystal structure of the SH3 domain of human sorbin and SH3 domain-containing protein 2
To be Published
5V9I
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BU of 5v9i by Molmil
Crystal structure of catalytic domain of G9a with MS0105
分子名称: GLYCEROL, Histone-lysine N-methyltransferase EHMT2, N~2~-cyclohexyl-N~4~-(1-ethylpiperidin-4-yl)-6,7-dimethoxy-N~2~-methylquinazoline-2,4-diamine, ...
著者Dong, A, Zeng, H, Liu, J, Xiong, Y, Babault, N, Jin, J, Walker, J.R, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Wu, H, Brown, P.J, Structural Genomics Consortium (SGC)
登録日2017-03-23
公開日2018-03-21
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献Crystal structure of catalytic domain of G9a with MS0105
to be published
5ULC
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BU of 5ulc by Molmil
PLASMODIUM FALCIPARUM BROMODOMAIN-CONTAINING PROTEIN PF10_0328
分子名称: Bromodomain protein 1
著者Wernimont, A.K, Amaya, M.F, Lam, A, Ali, A, Zhang, A.Z, Kenzina, L, Lin, Y.H, MacKenzie, F, Kozieradzki, I, Cossar, D, Schapira, M, Bochkarev, A, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Weigelt, J, Hui, R, Walker, J.R, Qiu, W, Brand, V, Structural Genomics Consortium (SGC)
登録日2017-01-24
公開日2017-02-22
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献PLASMODIUM FALCIPARUM BROMODOMAIN-CONTAINING PROTEIN PF10_0328
To be published
6GYN
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BU of 6gyn by Molmil
Structure of human HCN4 hyperpolarization-activated cyclic nucleotide-gated ion channel
分子名称: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 4
著者Shintre, C.A, Pike, A.C.W, Tessitore, A, Young, M, Bushell, S.R, Strain-Damerell, C, Mukhopadhyay, S, Burgess-Brown, N.A, Huiskonen, J.T, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Carpenter, E.P, Structural Genomics Consortium (SGC)
登録日2018-06-30
公開日2019-05-08
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Structure of human HCN4 hyperpolarization-activated cyclic nucleotide-gated ion channel
To Be Published
6GMB
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BU of 6gmb by Molmil
Structure of human hydroxyacid oxidase 1 bound with FMN and glycolate
分子名称: 1,2-ETHANEDIOL, FLAVIN MONONUCLEOTIDE, GLYCOLIC ACID, ...
著者MacKinnon, S, Bezerra, G.A, Krojer, T, Smee, C, Arrowsmith, C.H, Edwards, E, Bountra, C, Oppermann, U, Brennan, P.E, Yue, W.W, Structural Genomics Consortium (SGC)
登録日2018-05-24
公開日2018-06-13
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Structure of human hydroxyacid oxidase 1 bound with FMN and glycolate
To Be Published
6CW0
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BU of 6cw0 by Molmil
Crystal structure of Cryptosporidium parvum bromodomain cgd2_2690
分子名称: 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, Cgd2_2690 protein, GLYCEROL, ...
著者Dong, A, Lin, L, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Hui, R, Structural Genomics Consortium (SGC)
登録日2018-03-29
公開日2018-04-18
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.38 Å)
主引用文献Crystal structure of Cryptosporidium parvum bromodomain cgd2_2690
to be published
5VBB
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BU of 5vbb by Molmil
Human RNA Pseudouridylate Synthase Domain Containing 1
分子名称: CHLORIDE ION, GLYCEROL, RNA pseudouridylate synthase domain-containing protein 1, ...
著者DONG, A, ZENG, H, WALKER, J.R, Bountra, C, Arrowsmith, C.H, Edwards, A.M, BROWN, P.J, WU, H, Structural Genomics Consortium (SGC)
登録日2017-03-29
公開日2017-04-19
最終更新日2017-11-22
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Human RNA Pseudouridylate Synthase Domain Containing 1
to be published
6GYO
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BU of 6gyo by Molmil
Structure of human HCN4 hyperpolarization-activated cyclic nucleotide-gated ion channel in complex with cAMP
分子名称: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOINOSITOL, 1,2-Distearoyl-sn-glycerophosphoethanolamine, ...
著者Shintre, C.A, Pike, A.C.W, Tessitore, A, Young, M, Bushell, S.R, Strain-Damerell, C, Mukhopadhyay, S, Burgess-Brown, N.A, Huiskonen, J.T, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Carpenter, E.P, Structural Genomics Consortium (SGC)
登録日2018-06-30
公開日2019-05-01
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Structure of human HCN4 hyperpolarization-activated cyclic nucleotide-gated ion channel
To Be Published
5VBT
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BU of 5vbt by Molmil
Crystal structure of a highly specific and potent USP7 ubiquitin variant inhibitor
分子名称: UBH04
著者DONG, A, DONG, X, LIU, L, GUO, Y, LI, Y, ZHANG, W, WALKER, J.R, SIDHU, S, Bountra, C, Arrowsmith, C.H, Edwards, A.M, TONG, Y, Structural Genomics Consortium (SGC)
登録日2017-03-30
公開日2017-06-07
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.51 Å)
主引用文献Crystal structure of a highly specific and potent USP7 ubiquitin variant inhibitor
to be published
6GR2
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BU of 6gr2 by Molmil
Structure of human galactokinase in complex with galactose and ADP
分子名称: ADENOSINE-5'-DIPHOSPHATE, Galactokinase, SULFATE ION, ...
著者Bezerra, G.A, Mackinnon, S, Williams, E, Zhang, M, Arrowsmith, C, Edwards, A, Bountra, C, Lai, K, Yue, W.W, Structural Genomics Consortium (SGC)
登録日2018-06-08
公開日2019-06-19
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.49 Å)
主引用文献Structure of human galactokinase in complex with galactose and ADP
To Be Published
6BY9
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BU of 6by9 by Molmil
Crystal structure of EHMT1
分子名称: Histone-lysine N-methyltransferase EHMT1, UNKNOWN ATOM OR ION
著者Dong, A, Wei, Y, Li, A, Tempel, W, Han, S, Sunnerhagen, M, Penn, L, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Tong, Y, Structural Genomics Consortium (SGC)
登録日2017-12-20
公開日2018-01-31
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structure of EHMT1
to be published
5WCF
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BU of 5wcf by Molmil
Human HMT1 hnRNP methyltransferase-like protein 6 (S. cerevisiae)
分子名称: (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, ...
著者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)
登録日2017-06-30
公開日2017-08-02
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献The Crystal Structure of Human HMT1 hnRNP methyltransferase-like protein 6 in complex with MTLLE1441
to be published
5W80
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BU of 5w80 by Molmil
Toxoplasma Gondii CDPK1 in complex with inhibitor GXJ-237
分子名称: 3-(3-chlorophenoxy)-1-[(piperidin-4-yl)methyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine, CALCIUM ION, Calmodulin-domain protein kinase 1
著者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, Walker, J.R, Structural Genomics Consortium (SGC)
登録日2017-06-21
公開日2017-07-19
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Toxoplasma Gondii CDPK1 in complex with inhibitor GXJ-237
To be published
5W9E
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BU of 5w9e by Molmil
Toxoplasma Gondii CDPK1 in complex with inhibitor GXJ-186
分子名称: 1-tert-butyl-3-[(3-chlorophenyl)sulfanyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Calmodulin-domain protein kinase 1
著者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.
登録日2017-06-23
公開日2017-08-02
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.44 Å)
主引用文献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
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Histone acetyltransferase KAT8, ...
著者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)
登録日2017-06-30
公開日2017-07-26
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Human MYST histone acetyltransferase 1
to be published
5WCG
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BU of 5wcg by Molmil
SET and MYND Domain Containing protein 2
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DIMETHYL SULFOXIDE, N-lysine methyltransferase SMYD2, ...
著者Dong, A, Zeng, H, Walker, J.R, Hutch, A, Seitova, A, Tatlock, J, Kumpf, R, Owen, A, Taylor, A, Casimiro-Garcia, A, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Brown, P.J, Wu, H, Structural Genomics Consortium (SGC)
登録日2017-06-30
公開日2017-08-02
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献The crystal structure of SMYD2 in complex with compound MTF003
to be published
5VBD
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BU of 5vbd by Molmil
Crystal structure of a putative UBL domain of USP9X
分子名称: UNKNOWN ATOM OR ION, USP9X
著者Dong, A, Chern, Y, Hou, F, Li, Y, Tempel, W, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Tong, Y, Structural Genomics Consortium (SGC)
登録日2017-03-29
公開日2017-04-26
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Crystal structure of a putative UBL domain of USP9X
to be published
5W1Y
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BU of 5w1y by Molmil
SETD8 in complex with a covalent inhibitor
分子名称: 2-(4-methylpiperazin-1-yl)-3-(phenylsulfanyl)naphthalene-1,4-dione, N-lysine methyltransferase KMT5A, UNKNOWN ATOM OR ION
著者Tempel, W, Yu, W, Li, Y, Blum, G, Luo, M, Pittella-Silva, F, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Brown, P.J, Structural Genomics Consortium (SGC)
登録日2017-06-05
公開日2017-06-21
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献SETD8 in complex with a covalent inhibitor
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
分子名称: 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, ...
著者Halabelian, L, Tempel, W, Brown, P.J, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Structural Genomics Consortium (SGC)
登録日2017-06-29
公開日2017-07-19
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal Structure of the SET Domain of Human SUV420H1 In Complex With Inhibitor
To be published
5WBN
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BU of 5wbn by Molmil
Crystal structure of fragment 3-(3-Benzyl-2-oxo-2H-[1,2,4]triazino[2,3-c]quinazolin-6-yl)propanoic acid bound in the ubiquitin binding pocket of the HDAC6 zinc-finger domain
分子名称: 3-(3-benzyl-2-oxo-2H-[1,2,4]triazino[2,3-c]quinazolin-6-yl)propanoic acid, ACETATE ION, CHLORIDE ION, ...
著者Harding, R.J, Walker, J.R, Ferreira de Freitas, R, Ravichandran, M, Santhakumar, V, Schapira, M, Bountra, C, Edwards, A.M, Arrowsmith, C.H.
登録日2017-06-29
公開日2017-08-02
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献Crystal structure of fragment 3-(3-Benzyl-2-oxo-2H-[1,2,4]triazino[2,3-c]quinazolin-6-yl)propanoic acid bound in the ubiquitin binding pocket of the HDAC6 zinc-finger domain
To be published
5W8R
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BU of 5w8r by Molmil
Toxoplasma Gondii CDPK1 in complex with inhibitor 3CIB-PPI
分子名称: 1-tert-butyl-3-[(3-chlorophenyl)methyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine, CALCIUM ION, Calmodulin-domain protein kinase 1
著者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, Structural Genomics Consortium (SGC)
登録日2017-06-22
公開日2017-07-19
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Toxoplasma Gondii CDPK1 in complex with inhibitor 3CIB-PPI
To be published
5W91
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BU of 5w91 by Molmil
Toxoplasma Gondii CDPK1 in complex with inhibitor LZH118
分子名称: 1-tert-butyl-N~3~-(3-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidine-3,4-diamine, CALCIUM ION, Calmodulin-domain protein kinase 1
著者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, Structural Genomics Consortium (SGC)
登録日2017-06-22
公開日2017-08-30
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Toxoplasma Gondii CDPK1 in complex with inhibitor LZH118
To be published
5W9R
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BU of 5w9r by Molmil
Toxoplasma Gondii CDPK1 in complex with inhibitor LJQ138
分子名称: 1-tert-butyl-3-[(1H-indol-3-yl)methyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Calmodulin-domain protein kinase 1
著者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.
登録日2017-06-23
公開日2017-08-02
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Toxoplasma Gondii CDPK1 in complex with inhibitor LJQ138
To be published

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