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8PM3
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BU of 8pm3 by Molmil
Crystal structure of MAP2K6 with a covalent compound GCL94
分子名称: Dual specificity mitogen-activated protein kinase kinase 6, ~{N}-[3-(2-azanylpyridin-4-yl)phenyl]propanamide
著者Wang, G.Q, Seidler, N, Roehm, S, Gehringer, M, Knapp, S, Structural Genomics Consortium (SGC)
登録日2023-06-28
公開日2023-09-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of MAP2K6 with a covalent compound GCL94
To Be Published
9BBG
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BU of 9bbg by Molmil
Co-crystal structure of human DDB1 bound to fragment UB028671
分子名称: 1,2-ETHANEDIOL, 1H-indol-6-amine, DNA damage-binding protein 1, ...
著者Zeng, H, Dong, A, Frommlet, A, Seitova, A, Loppnau, P, Ackloo, S, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC)
登録日2024-04-05
公開日2024-06-12
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Co-crystal structure of human DDB1 bound to fragment UB028671
To be published
9BBI
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BU of 9bbi by Molmil
Co-crystal structure of human DDB1 bound to fragment UB028669
分子名称: 3-([1,3]oxazolo[4,5-b]pyridin-2-yl)aniline, DNA damage-binding protein 1, L(+)-TARTARIC ACID, ...
著者Zeng, H, Dong, A, Frommlet, A, Seitova, A, Loppnau, P, Ackloo, S, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC)
登録日2024-04-05
公開日2024-06-12
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Co-crystal structure of human DDB1 bound to fragment UB028669
To be published
9BBH
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BU of 9bbh by Molmil
Co-crystal structure of human DDB1 bound to fragment UB028670
分子名称: 1,2-ETHANEDIOL, 4-methoxy-1H-indole, DNA damage-binding protein 1, ...
著者Zeng, H, Dong, A, Frommlet, A, Seitova, A, Loppnau, P, Ackloo, S, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC)
登録日2024-04-05
公開日2024-06-12
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Co-crystal structure of human DDB1 bound to fragment UB028670
To be published
9EPV
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BU of 9epv by Molmil
Crystal structure of human Casein Kinase II subunit alpha (CK2a1) in complex with allosteric ligand FGC333
分子名称: 1,2-ETHANEDIOL, 5-[[2-[(3-chloranyl-4-phenyl-phenyl)methylamino]-7-azaspiro[3.5]nonan-7-yl]sulfonyl]-1,3-dimethyl-benzimidazol-2-one, Casein kinase II subunit alpha, ...
著者Kraemer, A, Greco, F, Knapp, S, Structural Genomics Consortium (SGC)
登録日2024-03-20
公開日2024-05-01
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structure of human Casein Kinase II subunit alpha (CK2a1) in complex with allosteric ligand FGC333
To Be Published
9AVA
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BU of 9ava by Molmil
Co-crystal structure of human TREX1 in complex with an inhibitor
分子名称: (2R)-2-[(5R,6S,8R,9aS)-8-amino-1-oxo-5-(2-phenylethyl)hexahydro-1H-pyrrolo[1,2-a][1,4]diazepin-2(3H)-yl]-N-[(3,4-dichlorophenyl)methyl]-4-methylpentanamide, POTASSIUM ION, Three-prime repair exonuclease 1, ...
著者Dehghani-Tafti, S, Dong, A, Li, Y, Xu, J, Ackloo, S, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC)
登録日2024-03-01
公開日2024-05-15
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Co-crystal structure of human TREX1 in complex with an inhibitor
To be published
9EPX
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BU of 9epx by Molmil
Crystal structure of human Casein Kinase II subunit alpha (CK2a1) in complex with allosteric ligand FGC3331
分子名称: 1,2-ETHANEDIOL, 7-[(2-chloranyl-1,3-benzothiazol-6-yl)sulfonyl]-~{N}-[(3-chloranyl-4-phenyl-phenyl)methyl]-7-azaspiro[3.5]nonan-2-amine, Casein kinase II subunit alpha, ...
著者Kraemer, A, Greco, F, Knapp, S, Structural Genomics Consortium (SGC)
登録日2024-03-20
公開日2024-05-01
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Crystal structure of human Casein Kinase II subunit alpha (CK2a1) in complex with allosteric ligand FGC3331
To Be Published
8UWP
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BU of 8uwp by Molmil
Crystal structure of SETDB1 Tudor domain in complex with MR46747
分子名称: (3S)-N-(4-chloro-3-{[2-(diethylamino)ethyl]carbamoyl}phenyl)-3-(diethylamino)pyrrolidine-1-carboxamide, 1,2-ETHANEDIOL, Histone-lysine N-methyltransferase SETDB1, ...
著者Shrestha, S, Beldar, S, Dong, A, Ackloo, S, Brown, P.J, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC)
登録日2023-11-07
公開日2023-11-22
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献Crystal structure of SETDB1 Tudor domain in complex with MR46747
To be published
9EPY
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BU of 9epy by Molmil
Crystal structure of human Casein Kinase II subunit alpha (CK2a1) in complex with allosteric ligand FGC3330
分子名称: 1,2-ETHANEDIOL, Casein kinase II subunit alpha, SULFATE ION, ...
著者Kraemer, A, Greco, F, Knapp, S, Structural Genomics Consortium (SGC)
登録日2024-03-20
公開日2024-05-01
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Crystal structure of human Casein Kinase II subunit alpha (CK2a1) in complex with allosteric ligand FGC3330
To Be Published
9EPZ
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BU of 9epz by Molmil
Crystal structure of human Casein Kinase II subunit alpha (CK2a1) in complex with allosteric ligand FGC3337
分子名称: 1,2-ETHANEDIOL, Casein kinase II subunit alpha, SULFATE ION, ...
著者Kraemer, A, Greco, F, Knapp, S, Structural Genomics Consortium (SGC)
登録日2024-03-20
公開日2024-05-01
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Crystal structure of human Casein Kinase II subunit alpha (CK2a1) in complex with allosteric ligand FGC3337
To Be Published
9EPW
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BU of 9epw by Molmil
Crystal structure of human Casein Kinase II subunit alpha (CK2a1) in complex with allosteric ligand FGC3336
分子名称: Casein kinase II subunit alpha, SULFATE ION, ~{N}-[(3-chloranyl-4-phenyl-phenyl)methyl]-2-[1-(3-methylquinolin-8-yl)sulfonylpiperidin-4-yl]ethanamine
著者Kraemer, A, Greco, F, Knapp, S, Structural Genomics Consortium (SGC)
登録日2024-03-20
公開日2024-05-01
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structure of human Casein Kinase II subunit alpha (CK2a1) in complex with allosteric ligand FGC3336
To Be Published
9EQ1
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BU of 9eq1 by Molmil
Crystal structure of human Casein Kinase II subunit alpha (CK2a1) in complex with allosteric ligand FGJM24
分子名称: 1,2-ETHANEDIOL, Casein kinase II subunit alpha, SULFATE ION, ...
著者Kraemer, A, Greco, F, Moeckel, J, Knapp, S, Structural Genomics Consortium (SGC)
登録日2024-03-20
公開日2024-05-01
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Crystal structure of human Casein Kinase II subunit alpha (CK2a1) in complex with allosteric ligand FGJM24
To Be Published
9EQ0
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BU of 9eq0 by Molmil
Crystal structure of human Casein Kinase II subunit alpha (CK2a1) in complex with allosteric ligand FGJG12
分子名称: Casein kinase II subunit alpha, SULFATE ION, ~{N}-[4-[(3-chloranyl-4-phenyl-phenyl)methylamino]butyl]isoquinoline-5-sulfonamide
著者Kraemer, A, Greco, F, Gerninghaus, J, Knapp, S, Structural Genomics Consortium (SGC)
登録日2024-03-20
公開日2024-05-01
実験手法X-RAY DIFFRACTION (3.15 Å)
主引用文献Crystal structure of human Casein Kinase II subunit alpha (CK2a1) in complex with allosteric ligand FGJG12
To Be Published
3MSE
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BU of 3mse by Molmil
Crystal structure of C-terminal domain of PF110239.
分子名称: CALCIUM ION, Calcium-dependent protein kinase, putative, ...
著者Wernimont, A.K, Artz, J.D, Hutchinson, A, Sullivan, H, Weadge, J, Tempel, W, Bochkarev, A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Hui, R, Lin, Y.H, Neculai, A.M, Amani, M, Structural Genomics Consortium (SGC)
登録日2010-04-29
公開日2010-06-23
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal structure of C-terminal domain of PF110239
To be Published
8P08
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BU of 8p08 by Molmil
Crystal structure of human CLK1 in complex with Leucettinib-21
分子名称: (4~{Z})-4-(1,3-benzothiazol-6-ylmethylidene)-2-[[(2~{R})-1-methoxy-4-methyl-pentan-2-yl]amino]-1~{H}-imidazol-5-one, Dual specificity protein kinase CLK1
著者Kraemer, A, Schroeder, M, Meijer, L, Knapp, S, Structural Genomics Consortium (SGC)
登録日2023-05-09
公開日2023-05-17
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal structure of human CLK1 bound in complex with Leucettinib-21
To Be Published
3MDY
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BU of 3mdy by Molmil
Crystal structure of the cytoplasmic domain of the bone morphogenetic protein receptor type-1B (BMPR1B) in complex with FKBP12 and LDN-193189
分子名称: 4-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline, Bone morphogenetic protein receptor type-1B, Peptidyl-prolyl cis-trans isomerase FKBP1A
著者Chaikuad, A, Sanvitale, C, Mahajan, P, Daga, N, Cooper, C, Krojer, T, Alfano, I, Knapp, S, von Delft, F, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A, Structural Genomics Consortium (SGC)
登録日2010-03-31
公開日2010-05-19
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Crystal structure of the cytoplasmic domain of the bone morphogenetic protein receptor type-1B (BMPR1B) in complex with FKBP12 and LDN-193189
To be Published
7OPG
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BU of 7opg by Molmil
Crystal structure of CLK1 in complex with compound 2 (CC513)
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 4-[2-(propylamino)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]phenol, Dual specificity protein kinase CLK1, ...
著者Chaikuad, A, Routier, S, Bonnet, P, Knapp, S, Structural Genomics Consortium (SGC)
登録日2021-05-31
公開日2021-07-21
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Crystal structure of CLK1 in complex with compound 2 (CC513)
To Be Published
8P7J
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BU of 8p7j by Molmil
Crystal structure of MAP2K6 with a covalent compound GCL96
分子名称: Dual specificity mitogen-activated protein kinase kinase 6, N-[3-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]prop-2-enamide
著者Wang, G.Q, Seidler, N, Roehm, S, Gehringer, M, Knapp, S, Structural Genomics Consortium (SGC)
登録日2023-05-30
公開日2023-07-05
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal structure of MAP2K6 with a covalent compound GCL96
To Be Published
5N2M
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BU of 5n2m by Molmil
Crystal structure of the first bromodomain of human BRD4 in complex with a tetrahydroquinoline analogue
分子名称: 1,2-ETHANEDIOL, Bromodomain-containing protein 4, propan-2-yl ~{N}-[(2~{S},4~{R})-6-(3-acetamidophenyl)-1-ethanoyl-2-methyl-3,4-dihydro-2~{H}-quinolin-4-yl]carbamate
著者Tallant, C, Slavish, P.J, Siejka, P, Bharatham, N, Shadrick, W.R, Chai, S, Young, B.M, Boyd, V.A, Heroven, C, Wiggers, H.J, Picaud, S, Fedorov, O, Krojer, T, Chen, T, Lee, R.E, Guy, R.K, Shelat, A.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
登録日2017-02-07
公開日2018-02-28
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献Crystal structure of the first bromodomain of human BRD4 in complex with a tetrahydroquinoline analogue
To Be Published
7QGJ
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BU of 7qgj by Molmil
Apo structure of BIR2 Domain of BIRC2
分子名称: 1,2-ETHANEDIOL, Baculoviral IAP repeat-containing protein 2, ZINC ION
著者Kraemer, A, Farges, F, Schwalm, M.P, Saxena, K, Preuss, F, Knapp, S, Structural Genomics Consortium (SGC)
登録日2021-12-08
公開日2022-02-09
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Apo structure BIR2 Domain of BIRC2
To Be Published
7Q8A
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BU of 7q8a by Molmil
Crystal structure of tandem domain RRM1-2 of FUBP-interacting repressor (FIR) bound to FUSE ssDNA fragment
分子名称: 1,2-ETHANEDIOL, DNA (5'-D(P*GP*T)-3'), Poly(U)-binding-splicing factor PUF60, ...
著者Ni, X, Joerger, A.C, Chaikuad, A, Knapp, S, Structural Genomics Consortium (SGC)
登録日2021-11-10
公開日2022-11-09
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Crystal structure of tandem domain RRM1-2 of FIR bound to FUSE ssDNA fragment
To Be Published
7RAY
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BU of 7ray by Molmil
Crystal structure of MBD2 with DNA
分子名称: DNA (5'-D(*GP*CP*CP*AP*A)-R(P*(5MC))-D(P*GP*TP*TP*GP*GP*C)-3'), Methyl-CpG-binding domain protein 2, UNKNOWN ATOM OR ION
著者Liu, K, Dong, A, Loppnau, P, Edwards, A.M, Arrowsmith, C.H, Min, J, Structural Genomics Consortium (SGC)
登録日2021-07-05
公開日2021-07-21
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Crystal structure of MBD2 with DNA
To Be Published
7RBQ
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BU of 7rbq by Molmil
Co-crystal structure of human PRMT9 in complex with MT556 inhibitor
分子名称: 1,2-ETHANEDIOL, 7-[5-S-(4-{[(4-ethylpyridin-3-yl)methyl]amino}butyl)-5-thio-beta-D-ribofuranosyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine, Protein arginine N-methyltransferase 9, ...
著者Zeng, H, Dong, A, 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)
登録日2021-07-06
公開日2021-08-11
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Co-crystal structure of human PRMT9 in complex with MT556 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
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

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件を2024-07-17に公開中

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