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4Z02
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BU of 4z02 by Molmil
Crystal structure of BRD1 in complex with Isoquinoline-3-carboxylic acid
分子名称: 1,2-ETHANEDIOL, Bromodomain-containing protein 1, UNKNOWN ATOM OR ION, ...
著者DONG, A, IQBAL, A, WALKER, J.R, Bountra, C, Arrowsmith, C.H, Edwards, A.M, BROWN, P.J, Structural Genomics Consortium (SGC)
登録日2015-03-25
公開日2015-04-22
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献Crystal structure of BRD1 incomplex with Isoquinoline-3-carboxylic acid
to be published
6T7K
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BU of 6t7k by Molmil
Crystal Structure of Prolyl-tRNA synthetase (ProRS, Proline--tRNA ligase) from Plasmodium falciparum in complex with NCP-26 and L-Proline
分子名称: 1,2-ETHANEDIOL, PROLINE, Proline--tRNA ligase, ...
著者Johansson, C, Wang, J, Tye, M, Payne, N.C, Mazitschek, R, Thompson, A, Arrowsmith, C.H, Bountra, C, Edwards, A, Oppermann, U.C.T.
登録日2019-10-22
公開日2020-11-18
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Crystal Structure of Prolyl-tRNA synthetase (ProRS, Proline--tRNA ligase) from Plasmodium falciparum in complex with NCP-26 and L-Proline
To Be Published
4PTB
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BU of 4ptb by Molmil
Crystal structure of human SP100 PHD-Bromodomain in the free state
分子名称: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Nuclear autoantigen Sp-100, ...
著者Tallant, C, Nunez-Alonso, G, Savitsky, P, Newman, J, Krojer, T, Szykowska, A, Burgess-Brown, N, Filippakopoulos, P, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S.
登録日2014-03-10
公開日2014-04-30
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Crystal structure of human SP100 PHD-Bromodomain in the free state
To be Published
5CLT
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BU of 5clt by Molmil
Crystal structure of human glycogen branching enzyme (GBE1) in complex with acarbose
分子名称: 1,4-alpha-glucan-branching enzyme, 4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose
著者Krojer, T, Froese, D.S, Goubin, S, Strain-Damerell, C, Mahajan, P, Burgess-Brown, N, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A, Yue, W, Structural Genomics Consortium (SGC)
登録日2015-07-16
公開日2015-08-12
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.79 Å)
主引用文献Crystal structure of human glycogen branching enzyme (GBE1) in complex with acarbose
To be published
5CLW
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BU of 5clw by Molmil
Crystal structure of human glycogen branching enzyme (GBE1) in complex with maltoheptaose
分子名称: 1,4-alpha-glucan-branching enzyme, SODIUM ION, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose
著者Krojer, T, Froese, D.S, Goubin, S, Strain-Damerell, C, Mahajan, P, Burgess-Brown, N, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A, Yue, W, Structural Genomics Consortium (SGC)
登録日2015-07-16
公開日2015-10-07
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Crystal structure of human glycogen branching enzyme (GBE1) in complex with maltoheptaose
To be published
5C65
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BU of 5c65 by Molmil
Structure of the human glucose transporter GLUT3 / SLC2A3
分子名称: CHOLESTEROL HEMISUCCINATE, Octyl Glucose Neopentyl Glycol, Solute carrier family 2, ...
著者Pike, A.C.W, Quigley, A, Chu, A, Tessitore, A, Xia, X, Mukhopadhyay, S, Wang, D, Kupinska, K, Strain-Damerell, C, Chalk, R, Burgess-Brown, N.A, Edwards, A.M, Arrowsmith, C.H, Bountra, C, Carpenter, E.P, Structural Genomics Consortium (SGC)
登録日2015-06-22
公開日2015-07-08
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Structure of the human glucose transporter GLUT3 / SLC2A3
To Be Published
4MR6
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BU of 4mr6 by Molmil
Crystal Structure of the second bromodomain of human BRD2 in complex with a quinazolinone ligand (RVX-208)
分子名称: 1,2-ETHANEDIOL, 2-[4-(2-hydroxyethoxy)-3,5-dimethylphenyl]-5,7-dimethoxyquinazolin-4(3H)-one, Bromodomain-containing protein 2, ...
著者Filippakopoulos, P, Picaud, S, Felletar, I, Martin, S, Fedorov, O, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
登録日2013-09-17
公開日2013-11-27
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献RVX-208, an inhibitor of BET transcriptional regulators with selectivity for the second bromodomain.
Proc.Natl.Acad.Sci.USA, 110, 2013
3QIK
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BU of 3qik by Molmil
Crystal structure of the first PDZ domain of PREX1
分子名称: Phosphatidylinositol 3,4,5-trisphosphate-dependent Rac exchanger 1 protein, UNKNOWN ATOM OR ION
著者Shen, L, Tong, Y, Tempel, W, Li, Y, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Park, H, Structural Genomics Consortium (SGC)
登録日2011-01-27
公開日2011-02-16
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.285 Å)
主引用文献Crystal structure of the first PDZ domain of PREX1
to be published
6TN8
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BU of 6tn8 by Molmil
Crystal structure of the ACVR1 (ALK2) kinase in complex with the compound BI-9564
分子名称: 1,2-ETHANEDIOL, 1,4-DIETHYLENE DIOXIDE, 4-[4-[(dimethylamino)methyl]-2,5-dimethoxy-phenyl]-2-methyl-2,7-naphthyridin-1-one, ...
著者Williams, E.P, Chen, Z, Burgess-Brown, N, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.N.
登録日2019-12-06
公開日2019-12-18
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Crystal structure of the ACVR1 (ALK2) kinase in complex with the compound BI-9564
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
2Y7J
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BU of 2y7j by Molmil
Structure of human phosphorylase kinase, gamma 2
分子名称: N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fluoro-2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbo xamide, PHOSPHORYLASE B KINASE GAMMA CATALYTIC CHAIN, TESTIS/LIVER ISOFORM
著者Muniz, J.R.C, Shrestha, A, Savitsky, P, Wang, J, Rellos, P, Fedorov, O, Burgess-Brown, N, Brenner, B, Berridge, G, Elkins, J.M, Krojer, T, Vollmar, M, Che, K.H, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Knapp, S.
登録日2011-01-31
公開日2011-02-09
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structure of Human Phosphorylase Kinase, Gamma 2
To be Published
6UPT
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BU of 6upt by Molmil
Tudor Domain of Tumor suppressor p53BP1 with MFP-2706
分子名称: 2-((2-chlorobenzyl)thio)-4,5-dihydro-1H-imidazole, TP53-binding protein 1, UNKNOWN ATOM OR ION
著者The, J, Dong, A, Headey, S, Gunzburg, M, Doak, B, James, L.I, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Brown, P.J, Structural Genomics Consortium (SGC)
登録日2019-10-18
公開日2019-11-20
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Tudor Domain of Tumor suppressor p53BP1 with MFP-2706
to be published
6VAH
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BU of 6vah by Molmil
Crystal structure of human TEAD2 transcription factor in complex with Flufenamic acid derivative
分子名称: 2-fluoro-6-[(3-hexylphenyl)amino]benzoic acid, Transcriptional enhancer factor TEF-4, UNKNOWN ATOM OR ION
著者Halabelian, L, Zeng, H, Dong, A, Li, Y, Melin, L, Gagnon, A, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Santhakumar, V, Structural Genomics Consortium (SGC)
登録日2019-12-17
公開日2020-04-15
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.11 Å)
主引用文献Crystal structure of human TEAD2 transcription factor in complex with Flufenamic acid derivative
to be published
2Y7B
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BU of 2y7b by Molmil
Crystal structure of the PH domain of human Actin-binding protein anillin ANLN
分子名称: 1,2-ETHANEDIOL, ACTIN-BINDING PROTEIN ANILLIN
著者Vollmar, M, Wang, J, Krojer, T, Elkins, J, Filippakopoulos, P, Ugochukwu, E, Cocking, R, von Delft, F, Bountra, C, Arrowsmith, C.H, Weigelt, J, Edwards, A, Knapp, S.
登録日2011-01-31
公開日2011-03-30
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal Structure of the Ph Domain of Human Actin-Binding Protein Anillin Anln
To be Published
6FIC
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BU of 6fic by Molmil
Bivalent Inhibitor UNC4512 Bound to the TAF1 Bromodomain Tandem
分子名称: 3-azanyl-2-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[3-azanyl-1-[[2-[[3-methyl-6-[4-methyl-3-(methylsulfonyl-$l^{2}-azanyl)cyclohexa-1,3,5-trien-1-yl]-[1,2,4]triazolo[4,3-b]pyridazin-8-yl]-$l^{2}-azanyl]-2-oxidanylidene-ethyl]amino]-1-oxidanylidene-propan-2-yl]amino]-2-oxidanylidene-ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-~{N}-[3-[[3-methyl-6-[4-methyl-3-(methylsulfonylamino)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-8-yl]amino]-3-oxidanylidene-propyl]propanamide, Transcription initiation factor TFIID subunit 1
著者Mathea, S, Suh, J.L, Salah, E, Tallant, C, Siejka, P, Pike, A.C.W, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, James, L.I, Frye, S.V, Knapp, S.
登録日2018-01-17
公開日2018-01-31
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.18 Å)
主引用文献Bivalent Inhibitor UNC4512 Bound to the TAF1 Bromodomain Tandem
To Be Published
6VA5
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BU of 6va5 by Molmil
Tudor Domain of Tumor suppressor p53BP1 with MFP-4184
分子名称: 2-(4-methylpiperazin-1-yl)aniline, GLYCEROL, SULFATE ION, ...
著者Zeng, H, Dong, A, Headey, S, Gunzburg, M, Doak, B, James, L.I, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Brown, P.J, Structural Genomics Consortium (SGC)
登録日2019-12-16
公開日2020-04-29
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.28 Å)
主引用文献Tudor Domain of Tumor suppressor p53BP1 with MFP-4184
to be published
6VO5
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BU of 6vo5 by Molmil
Crystal structure of Human histone acetytransferas 1 (HAT1) in complex with isobutryl-COA and K12A mutant variant of histone H4
分子名称: ACETATE ION, GLYCEROL, Histone H4, ...
著者Halabelian, L, Zeng, H, Dong, A, Loppnau, P, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Structural Genomics Consortium (SGC)
登録日2020-01-30
公開日2020-03-11
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Crystal structure of Human histone acetytransferas 1 (HAT1) in complex with isobutryl-COA and K12A mutant variant of histone H4
to be published
2YL2
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BU of 2yl2 by Molmil
Crystal structure of human acetyl-CoA carboxylase 1, biotin carboxylase (BC) domain
分子名称: ACETYL-COA CARBOXYLASE 1
著者Muniz, J.R.C, Froese, D.S, Krysztofinska, E, Vollmar, M, Beltrami, A, Krojer, T, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Yue, W.W, Oppermann, U.
登録日2011-05-31
公開日2011-06-15
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal Structure of Human Acetyl-Coa Carboxylase 1, Biotin Carboxylase (Bc) Domain
To be Published
6VIP
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BU of 6vip by Molmil
TUDOR DOMAIN OF TUMOR SUPPRESSOR P53BP1 WITH MFP-6008
分子名称: TP53-binding protein 1, UNKNOWN ATOM OR ION, {4-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]phenyl}(4-ethylpiperazin-1-yl)methanone
著者The, J, Hong, Z, Dong, A, Headey, S, Gunzburg, M, Doak, B, James, L.I, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Brown, P.J, Structural Genomics Consortium (SGC)
登録日2020-01-13
公開日2020-02-12
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.36 Å)
主引用文献TUDOR DOMAIN OF TUMOR SUPPRESSOR P53BP1 WITH MFP-6008
to be published
6WAD
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BU of 6wad by Molmil
Crystal Structure of Human Protein arginine N-methyltransferase 6 (PRMT6) in complex with MT2739 inhibitor
分子名称: 5-bromo-N-(diphenylmethyl)-N-methylthiophene-2-carboxamide, Protein arginine N-methyltransferase 6, S-ADENOSYL-L-HOMOCYSTEINE
著者Halabelian, L, Zeng, H, Dong, A, Schapira, M, De Freitas, R.F, Hutchinson, A, Seitova, A, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Brown, P.J, Structural Genomics Consortium (SGC)
登録日2020-03-25
公開日2020-09-02
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Crystal Structure of Human Protein arginine N-methyltransferase 6 (PRMT6) in complex with MT2739 inhibitor
to be published
6WAJ
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BU of 6waj by Molmil
Crystal structure of the UBL domain of human NLE1
分子名称: NLE1, UNKNOWN ATOM OR ION
著者Halabelian, L, Zeng, H, Li, Y, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Structural Genomics Consortium (SGC)
登録日2020-03-25
公開日2020-04-22
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structure of the UBL domain of human NLE1
To be Published
3C5K
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BU of 3c5k by Molmil
Crystal structure of human HDAC6 zinc finger domain
分子名称: Histone deacetylase 6, ZINC ION
著者Dong, A, Ravichandran, M, Schuetz, A, Loppnau, P, Li, Y, MacKenzie, F, Kozieradzki, I, Edwards, A.M, Arrowsmith, C.H, Weigelt, J, Bountra, C, Bochkarev, A, Dhe-Paganon, S, Min, J, Ouyang, H, Structural Genomics Consortium (SGC)
登録日2008-01-31
公開日2008-02-19
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Crystal Structure of Human HDAC6 zinc finger domain.
To be Published
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
3C5H
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BU of 3c5h by Molmil
Crystal structure of the Ras homolog domain of human GRLF1 (p190RhoGAP)
分子名称: Glucocorticoid receptor DNA-binding factor 1, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ...
著者Shen, L, Tong, Y, Tempel, W, MacKenzie, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Bochkarev, A, Park, H, Structural Genomics Consortium (SGC)
登録日2008-01-31
公開日2008-02-12
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structure of the Ras homolog domain of human GRLF1 (p190RhoGAP).
To be Published
3C5I
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BU of 3c5i by Molmil
Crystal structure of Plasmodium knowlesi choline kinase, PKH_134520
分子名称: CALCIUM ION, CHOLINE ION, Choline kinase, ...
著者Wernimont, A.K, Hills, T, Lew, J, Wasney, G, Senesterra, G, Kozieradzki, I, Cossar, D, Vedadi, M, Schapira, M, Bochkarev, A, Arrowsmith, C.H, Bountra, C, Weigelt, J, Edwards, A.M, Hui, R, Artz, J.D, Xiao, T, Structural Genomics Consortium (SGC)
登録日2008-01-31
公開日2008-02-19
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structure of Plasmodium knowlesi choline kinase, PKH_134520.
To be Published

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