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9BBE
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BU of 9bbe by Molmil
Co-crystal structure of human DDB1 bound to fragment UB028668
分子名称: 5-(4-methoxyphenyl)-3-[(3S)-pyrrolidin-3-yl]-1,2,4-oxadiazole, 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 (2 Å)
主引用文献Co-crystal structure of human DDB1 bound to fragment UB028668
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
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
8BB3
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BU of 8bb3 by Molmil
Structure of human WDR5 and pVHL:ElonginC:ElonginB bound to PROTAC with PEG linker (conformation #1)
分子名称: 1,2-ETHANEDIOL, Elongin-B, Elongin-C, ...
著者Kraemer, A, Doelle, A, Knapp, S, Structural Genomics Consortium (SGC)
登録日2022-10-12
公開日2022-11-09
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure of human WDR5 and pVHL:ElonginC:ElonginB bound to PROTAC with PEG linker (conformation #1)
To Be Published
8BB2
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BU of 8bb2 by Molmil
Structure of human WDR5 and pVHL:ElonginC:ElonginB bound to PROTAC with PEG linker (conformation #2)
分子名称: 1,2-ETHANEDIOL, Elongin-B, Elongin-C, ...
著者Kraemer, A, Doelle, A, Knapp, S, Structural Genomics Consortium (SGC)
登録日2022-10-12
公開日2022-11-09
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Structure of human WDR5 and pVHL:ElonginC:ElonginB bound to PROTAC with PEG linker (conformation #2)
To Be Published
8BFS
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BU of 8bfs by Molmil
Crystal structure of human calmodulin-dependent protein kinase 1D (CAMK1D) in complex with FZ326
分子名称: 1,2-ETHANEDIOL, 3~{H}-pyrrolo[2,3-c]isoquinolin-5-amine, Calcium/calmodulin-dependent protein kinase type 1D, ...
著者Kraemer, A, Zhu, W.F, Hernandez-Olmos, V, Proschak, E, Knapp, S, Structural Genomics Consortium (SGC)
登録日2022-10-26
公開日2022-11-16
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Crystal structure of human calmodulin-dependent protein kinase 1D (CAMK1D) in complex with FZ326
To Be Published
8BFM
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BU of 8bfm by Molmil
Crystal structure of human calmodulin-dependent protein kinase 1D (CAMK1D) in complex with FZ331
分子名称: Calcium/calmodulin-dependent protein kinase type 1D, SULFATE ION, pyrazolo[5,1-a]phthalazin-6-amine
著者Kraemer, A, Zhu, W.F, Hernandez-Olmos, V, Proschak, E, Knapp, S, Structural Genomics Consortium (SGC)
登録日2022-10-26
公開日2022-11-23
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structure of human WDR5 and pVHL:ElonginC:ElonginB bound to PROTAC with PEG linker (conformation #2)
To Be Published
8BK0
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BU of 8bk0 by Molmil
Crystal structure of human Ephrin type-A receptor 2 (EPHA2) Kinase domain in complex with LDN-211904
分子名称: 1,2-ETHANEDIOL, Ephrin type-A receptor 2, ~{N}-(2-chlorophenyl)-6-piperidin-4-yl-imidazo[1,2-a]pyridine-3-carboxamide
著者Zhubi, R, Gerninghaus, J, Knapp, S, Kraemer, A, Structural Genomics Consortium (SGC)
登録日2022-11-08
公開日2022-11-16
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal structure of human Ephrin type-A receptor 2 (EPHA2) Kinase domain in complex with LDN-211904
To Be Published
5KKP
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BU of 5kkp by Molmil
Crystal Structure of Human Pseudouridylate Synthase 7
分子名称: 1,2-ETHANEDIOL, Pseudouridylate synthase 7, UNKNOWN ATOM OR ION
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2016-06-22
公開日2016-08-17
実験手法X-RAY DIFFRACTION (2.26 Å)
主引用文献Crystal Structure of Human Pseudouridylate Synthase 7
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
8C1L
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BU of 8c1l by Molmil
Crystal structure of HNF4 alpha LBD in complexes with palmitic acid and GRIP-1 peptide
分子名称: 1,2-ETHANEDIOL, Hepatocyte nuclear factor 4-alpha, Nuclear receptor coactivator 2, ...
著者Ni, X, Merk, D, Zhubi, R, Knapp, S, Structural Genomics Consortium (SGC)
登録日2022-12-20
公開日2024-01-10
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of HNF4 alpha LBD in complexes with palmitic acid and GRIP-1 peptide
To Be Published
8QQY
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BU of 8qqy by Molmil
Crystal structure of human Ephrin type-A receptor 2 (EPHA2) Kinase domain in complex with JG165
分子名称: 1,2-ETHANEDIOL, 6-(4-fluoranyl-3-methoxy-phenyl)-13$l^{6}-thia-2,4,8,12,19-pentazatricyclo[12.3.1.1^{3,7}]nonadeca-1(18),3,5,7(19),14,16-hexaene 13,13-dioxide, Ephrin type-A receptor 2
著者Zhubi, R, Gerninghaus, J, Knapp, S, Kraemer, A, Structural Genomics Consortium (SGC)
登録日2023-10-06
公開日2023-11-22
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structure of human Ephrin type-A receptor 2 (EPHA2) Kinase domain in complex with JG165
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
5KCH
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BU of 5kch by Molmil
SETDB1 in complex with an early stage, low affinity fragment candidate modelled at reduced occupancy into weak electron density
分子名称: 4-methoxy-N-[(pyridin-2-yl)methyl]aniline, DIMETHYL SULFOXIDE, Histone-lysine N-methyltransferase SETDB1, ...
著者Tempel, W, Harding, R.J, Mader, P, Dobrovetsky, E, Walker, J.R, Brown, P.J, Schapira, M, Collins, P, Pearce, N, Brandao-Neto, J, Douangamath, A, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Santhakumar, V, Structural Genomics Consortium (SGC)
登録日2016-06-06
公開日2016-07-27
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献SETDB1 in complex with an early stage, low affinity fragment candidate modelled at reduced occupancy
To Be Published
5KCO
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BU of 5kco by Molmil
SETDB1 in complex with an early stage, low affinity fragment candidate modelled at reduced occupancy
分子名称: DIMETHYL SULFOXIDE, Histone-lysine N-methyltransferase SETDB1, SULFATE ION, ...
著者Tempel, W, Harding, R.J, Mader, P, Dobrovetsky, E, Walker, J.R, Brown, P.J, Schapira, M, Collins, P, Pearce, N, Brandao-Neto, J, Douangamath, A, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Santhakumar, V, Structural Genomics Consortium (SGC)
登録日2016-06-06
公開日2016-07-27
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.47 Å)
主引用文献SETDB1 in complex with an early stage, low affinity fragment candidate modelled at reduced occupancy
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
8BEM
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BU of 8bem by Molmil
STE20-like serine/threonine-protein kinase (SLK) in complex with Tivozanib
分子名称: STE20-like serine/threonine-protein kinase, SULFATE ION, TIVOZANIB
著者Kraemer, A, Knapp, S, Structural Genomics Consortium (SGC)
登録日2022-10-21
公開日2022-11-09
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献STE20-like serine/threonine-protein kinase (SLK) in complex with Tivozanib
To Be Published
7RUO
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BU of 7ruo by Molmil
Crystal structure of human UTP15
分子名称: U3 small nucleolar RNA-associated protein 15 homolog, UNKNOWN ATOM OR ION
著者Dehghani-Tafti, S, Dong, A, Zeng, H, Hutchinson, A, Seitova, A, Loppnau, P, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC)
登録日2021-08-17
公開日2021-11-10
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structure of human UTP15
To Be Published
7SLW
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BU of 7slw by Molmil
Complex structure of CDYL2 with an antagonist
分子名称: Chromodomain Y-like protein 2, GLYCEROL, UNKNOWN ATOM OR ION
著者Beldar, S, Dong, A, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
登録日2021-10-25
公開日2021-11-17
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Complex structure of CDYL2 with an antagonist
To Be Published
7SLZ
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BU of 7slz by Molmil
CRYSTAL STRUCTURE OF GID4 IN COMPLEX WITH BPF023596
分子名称: Glucose-induced degradation protein 4 homolog, N-[(1s,4s)-4-(1H-benzimidazol-2-yl)cyclohexyl]-N~2~-[(1H-indol-2-yl)methyl]glycinamide
著者Song, X, Dong, A, Calabrese, M, Wang, F, Owen, D, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
登録日2021-10-25
公開日2022-01-19
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献CRYSTAL STRUCTURE OF GID4 IN COMPLEX WITH BPF023596
To Be Published
8QWZ
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BU of 8qwz by Molmil
Crystal structure of human Casein Kinase II subunit alpha (CK2a1) in complex with 4-(6-(6-isopropoxy-1H-indol-1-yl)pyrazin-2-yl)benzoic acid
分子名称: 4-[6-(6-propan-2-yloxyindol-1-yl)pyrazin-2-yl]benzoic acid, Casein kinase II subunit alpha, SULFATE ION
著者Kraemer, A, Galal, K, Willson, T, Knapp, S, Structural Genomics Consortium (SGC)
登録日2023-10-20
公開日2024-01-17
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 4-(6-(6-isopropoxy-1H-indol-1-yl)pyrazin-2-yl)benzoic acid
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
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
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

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件を2024-06-12に公開中

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