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8BI6
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BU of 8bi6 by Molmil
Crystal structure of human Choline Kinase A in complex with UNC0638
分子名称: 1,2-ETHANEDIOL, 2-cyclohexyl-6-methoxy-N-[1-(1-methylethyl)piperidin-4-yl]-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine, CHLORIDE ION, ...
著者Diaz-Saez, L, Ward, J, Kennedy, E, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Huber, K, Structural Genomics Consortium (SGC)
登録日2022-11-01
公開日2023-11-15
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal structure of human Choline Kinase A in complex with UNC0638
To Be Published
7SUL
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BU of 7sul by Molmil
Crystal structure of the WD-repeat domain of human SEC31A
分子名称: Protein transport protein Sec31A
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2021-11-17
公開日2021-12-01
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal structure of the WD-repeat domain of human SEC31A
To Be Published
7STY
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BU of 7sty by Molmil
Crystal structure of human CORO1C
分子名称: Coronin-1C
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2021-11-15
公開日2021-12-01
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 human CORO1C
To Be Published
7SSE
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BU of 7sse by Molmil
Crystal structure of the WDR domain of human DCAF1 in complex with CYCA-117-70
分子名称: DDB1- and CUL4-associated factor 1, N-[(3R)-1-(3-fluorophenyl)piperidin-3-yl]-6-(morpholin-4-yl)pyrimidin-4-amine
著者Kimani, S, Owen, J, Li, A, Dong, A, Li, Y, Hutchinson, A, Seitova, A, Shahani, V.M, Schapira, M, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC)
登録日2021-11-10
公開日2021-12-15
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献Discovery of a Novel DCAF1 Ligand Using a Drug-Target Interaction Prediction Model: Generalizing Machine Learning to New Drug Targets.
J.Chem.Inf.Model., 63, 2023
7T39
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BU of 7t39 by Molmil
Co-crystal structure of human PRMT9 in complex with MT221 inhibitor
分子名称: 7-[5-S-(4-{[(2-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2021-12-07
公開日2021-12-22
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.81 Å)
主引用文献Co-crystal structure of human PRMT9 in complex with MT221 inhibitor
To Be Published
7UFV
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BU of 7ufv by Molmil
Crystal structure of the WDR domain of human DCAF1 in complex with OICR-6766
分子名称: (3P)-N-[(1S)-3-amino-1-(3-chlorophenyl)-3-oxopropyl]-3-(2-fluorophenyl)-1H-pyrazole-4-carboxamide, DDB1- and CUL4-associated factor 1, UNKNOWN ATOM OR ION
著者Kimani, S, Li, A, Li, Y, Dong, A, 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2022-03-23
公開日2022-05-04
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Discovery of Nanomolar DCAF1 Small Molecule Ligands.
J.Med.Chem., 66, 2023
7UGC
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BU of 7ugc by Molmil
Structure of the N-terminal domain of ViaA
分子名称: Protein ViaA
著者Lemak, A, Reichheld, S, Bhandari, V, Houliston, S, Arrowsmith, C.H, Sharpe, S, Houry, W.A.
登録日2022-03-24
公開日2023-03-29
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Structure of the N-terminal domain of ViaA
To Be Published
3TLP
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BU of 3tlp by Molmil
Crystal structure of the fourth bromodomain of human poly-bromodomain containing protein 1 (PB1)
分子名称: NICKEL (II) ION, Protein polybromo-1
著者Filippakopoulos, P, Felletar, I, Picaud, S, Keates, T, Muniz, J, Krojer, T, Allerston, C.K, Latwiel, S, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
登録日2011-08-30
公開日2011-09-28
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.13 Å)
主引用文献Histone recognition and large-scale structural analysis of the human bromodomain family.
Cell(Cambridge,Mass.), 149, 2012
3U1U
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BU of 3u1u by Molmil
Crystal structure of RNA polymerase-associated protein RTF1 homolog Plus-3 domain
分子名称: GLYCEROL, RNA polymerase-associated protein RTF1 homolog, SULFATE ION, ...
著者Guo, Y, Tempel, W, Bian, C, Wernimont, A.K, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
登録日2011-09-30
公開日2012-04-04
最終更新日2017-11-08
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structure of RNA polymerase-associated protein RTF1 homolog Plus-3 domain
to be published
3U2X
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BU of 3u2x by Molmil
Crystal Structure of Human Glycogenin-1 (GYG1) complexed with manganese, UDP and 1'-deoxyglucose
分子名称: 1,2-ETHANEDIOL, 1,5-anhydro-D-glucitol, Glycogenin-1, ...
著者Chaikuad, A, Froese, D.S, Krysztofinska, E, von Delft, F, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Oppermann, U, Yue, W.W, Structural Genomics Consortium (SGC)
登録日2011-10-04
公開日2011-11-02
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献Crystal Structure of Human Glycogenin-1 (GYG1) complexed with manganese, UDP and 1'-deoxyglucose
To be Published
4FLA
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BU of 4fla by Molmil
Crystal structure of human RPRD1B, carboxy-terminal domain
分子名称: Regulation of nuclear pre-mRNA domain-containing protein 1B, UNKNOWN ATOM OR ION
著者Ni, Z, Xu, C, Tempel, W, El Bakkouri, M, Loppnau, P, Guo, X, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Greenblatt, J.F, Structural Genomics Consortium (SGC)
登録日2012-06-14
公開日2012-08-22
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献RPRD1A and RPRD1B are human RNA polymerase II C-terminal domain scaffolds for Ser5 dephosphorylation.
Nat.Struct.Mol.Biol., 21, 2014
4FLB
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BU of 4flb by Molmil
CID of human RPRD2
分子名称: PRASEODYMIUM ION, Regulation of nuclear pre-mRNA domain-containing protein 2, SULFATE ION, ...
著者Ni, Z, Xu, C, Tempel, W, El Bakkouri, M, Loppnau, P, Guo, X, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Greenblatt, J.F, Structural Genomics Consortium (SGC)
登録日2012-06-14
公開日2012-08-15
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.802 Å)
主引用文献RPRD1A and RPRD1B are human RNA polymerase II C-terminal domain scaffolds for Ser5 dephosphorylation.
Nat.Struct.Mol.Biol., 21, 2014
4FR4
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BU of 4fr4 by Molmil
Crystal structure of human serine/threonine-protein kinase 32A (YANK1)
分子名称: 1,2-ETHANEDIOL, STAUROSPORINE, Serine/threonine-protein kinase 32A
著者Chaikuad, A, Elkins, J.M, Krojer, T, Mahajan, P, Goubin, S, Szklarz, M, Tumber, A, Wang, J, Savitsky, P, Shrestha, B, Daga, N, Picaud, S, Fedorov, O, Allerston, C.K, Latwiel, S.V.A, Vollmar, M, Canning, P, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
登録日2012-06-26
公開日2012-07-18
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.29 Å)
主引用文献Crystal structure of human serine/threonine-protein kinase 32A (YANK1)
To be Published
4FL6
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BU of 4fl6 by Molmil
Crystal structure of the complex of the 3-MBT repeat domain of L3MBTL3 and UNC1215
分子名称: Lethal(3)malignant brain tumor-like protein 3, UNKNOWN ATOM OR ION, [2-(phenylamino)benzene-1,4-diyl]bis{[4-(pyrrolidin-1-yl)piperidin-1-yl]methanone}
著者Zhong, N, Tempel, W, Ravichandran, M, Dong, A, Ingerman, L.A, Graslund, S, Frye, S.V, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Brown, P.J, Structural Genomics Consortium (SGC)
登録日2012-06-14
公開日2012-06-27
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Discovery of a chemical probe for the L3MBTL3 methyllysine reader domain.
Nat. Chem. Biol., 9, 2013
4FO9
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BU of 4fo9 by Molmil
Crystal structure of the E3 SUMO Ligase PIAS2
分子名称: E3 SUMO-protein ligase PIAS2, UNKNOWN ATOM OR ION, ZINC ION
著者Dong, A, Hu, J, Dobrovetsky, E, Tempel, W, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Tong, Y, Structural Genomics Consortium (SGC)
登録日2012-06-20
公開日2012-07-18
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.39 Å)
主引用文献Crystal structure of the E3 SUMO Ligase PIAS2
to be published
4XCX
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BU of 4xcx by Molmil
METHYLTRANSFERASE DOMAIN OF SMALL RNA 2'-O-METHYLTRANSFERASE
分子名称: S-ADENOSYL-L-HOMOCYSTEINE, Small RNA 2'-O-methyltransferase
著者Walker, J.R, Zeng, H, Dong, A, Li, Y, Wernimont, A, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Brown, P.J, Wu, H, Structural Genomics Consortium (SGC)
登録日2014-12-18
公開日2015-01-14
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.84 Å)
主引用文献Crystal structure of human C1ORF59 in complex with SAH
To be published
4Y03
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BU of 4y03 by Molmil
Crystal Structure of the fifth bromodomain of human PB1 in complex with salicylic acid
分子名称: 2-HYDROXYBENZOIC ACID, CITRIC ACID, Protein polybromo-1
著者Filippakopoulos, P, Picaud, S, Felletar, I, Fedorov, O, von Delft, F, Edwards, A.M, Arrowsmith, C.H, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
登録日2015-02-05
公開日2015-05-20
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Crystal Structure of the fifth bromodomain of human PB1 in complex with salicylic acid
To Be Published
7TUJ
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BU of 7tuj by Molmil
NMR solution structure of the phosphorylated MUS81-binding region from human SLX4
分子名称: Structure-specific endonuclease subunit SLX4
著者Payliss, B.J, Reichheld, S.E, Lemak, A, Arrowsmith, C.H, Sharpe, S, Wyatt, H.D.M.
登録日2022-02-02
公開日2022-10-19
最終更新日2022-11-09
実験手法SOLUTION NMR
主引用文献Phosphorylation of the DNA repair scaffold SLX4 drives folding of the SAP domain and activation of the MUS81-EME1 endonuclease.
Cell Rep, 41, 2022
4MVT
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BU of 4mvt by Molmil
Crystal structure of SUMO E3 Ligase PIAS3
分子名称: CHLORIDE ION, E3 SUMO-protein ligase PIAS3, UNKNOWN ATOM OR ION, ...
著者Dong, A, Hu, J, Li, Y, Tempel, W, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Tong, Y, Structural Genomics Consortium (SGC)
登録日2013-09-24
公開日2013-10-16
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structure of SUMO E3 Ligase PIAS3
to be published
4MX2
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BU of 4mx2 by Molmil
Crystal Structure of adenylosuccinate lyase from Leishmania donovani
分子名称: ADENOSINE MONOPHOSPHATE, Adenylosuccinate lyase, GLYCEROL, ...
著者Wernimont, A.K, Loppnau, P, Dong, A, Krojer, T, Bradley, A, Bushell, S, von Delft, F, Robinson, D, Gilbert, I, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Hui, R, Mottaghi, K, Structural Genomics Consortium (SGC)
登録日2013-09-25
公開日2014-04-16
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal Structure of adenylosuccinate lyase from Leishmania donovani
To be Published
4MTL
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BU of 4mtl by Molmil
Human Methyltransferase-Like Protein 21C
分子名称: Protein-lysine methyltransferase METTL21C, S-ADENOSYL-L-HOMOCYSTEINE, UNKNOWN ATOM OR ION
著者Hong, B.S, Tempel, W, Dong, A, Li, Y, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Brown, P.J, Structural Genomics Consortium (SGC)
登録日2013-09-19
公開日2013-10-23
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Human Methyltransferase-Like Protein 21C
To be Published
4NR5
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BU of 4nr5 by Molmil
Crystal structure of the bromodomain of human CREBBP in complex with an isoxazolyl-benzimidazole ligand
分子名称: 1,2-ETHANEDIOL, 5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[2-(morpholin-4-yl)ethyl]-2-(2-phenylethyl)-1H-benzimidazole, CREB-binding protein, ...
著者Filippakopoulos, P, Picaud, S, Felletar, I, Hay, D, Fedorov, O, Martin, S, Pike, A.W, von Delft, F, Brennan, P, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
登録日2013-11-26
公開日2013-12-18
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.66 Å)
主引用文献Crystal structure of the bromodomain of human CREBBP in complex with an isoxazolyl-benzimidazole ligand
To be Published
4NR6
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Crystal structure of the bromodomain of human CREBBP in complex with an oxazepin ligand
分子名称: 1-[7-(3,4-dimethoxyphenyl)-9-{[(3R)-1-methylpiperidin-3-yl]methoxy}-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]propan-1-one, CREB-binding protein
著者Filippakopoulos, P, Picaud, S, Felletar, I, Hay, D, Fedorov, O, Martin, S, Chaikuad, A, von Delft, F, Brennan, P, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
登録日2013-11-26
公開日2013-12-18
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.66 Å)
主引用文献Crystal structure of the bromodomain of human CREBBP in complex with an oxazepin ligand
To be Published
4NR2
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Crystal structure of STK4 (MST1) SARAH domain
分子名称: 1,2-ETHANEDIOL, Serine/threonine-protein kinase 4
著者Chaikuad, A, Krojer, T, Kopec, J, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
登録日2013-11-26
公開日2014-01-29
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of STK4 (MST1) SARAH domain
To be Published
1HS5
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BU of 1hs5 by Molmil
NMR SOLUTION STRUCTURE OF DESIGNED P53 DIMER
分子名称: CELLULAR TUMOR ANTIGEN P53
著者Davison, T.S, Nie, X, Ma, W, Li, Y, Kay, C, Benchimol, S, Arrowsmith, C.H.
登録日2000-12-22
公開日2001-01-10
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Structure and functionality of a designed p53 dimer.
J.Mol.Biol., 307, 2001

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