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3SX0
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BU of 3sx0 by Molmil
Crystal structure of Dot1l in complex with a brominated SAH analog
分子名称: (2S)-2-amino-4-({[(2S,3S,4R,5R)-5-(4-amino-5-bromo-7H-pyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}sulfanyl)butanoic acid (non-preferred name), Histone-lysine N-methyltransferase, H3 lysine-79 specific, ...
著者Yu, W, Tempel, W, Smil, D, Schapira, M, Li, Y, Vedadi, M, Nguyen, K.T, Wernimont, A.K, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Brown, P.J, Structural Genomics Consortium (SGC)
登録日2011-07-14
公開日2011-07-27
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献Bromo-deaza-SAH: a potent and selective DOT1L inhibitor.
Bioorg. Med. Chem., 21, 2013
3SVG
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BU of 3svg by Molmil
Crystal Structure of the first bromodomain of human BRD4 in complex with a 3,5-dimethylisoxazol ligand
分子名称: (1R)-1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-ethoxyphenyl]ethanol, 1,2-ETHANEDIOL, Bromodomain-containing protein 4
著者Filippakopoulos, P, Picaud, S, Felletar, I, Hewings, S.D, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Conway, S.J, Knapp, S, Structural Genomics Consortium (SGC)
登録日2011-07-12
公開日2011-08-10
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献Crystal Structure of the first bromodomain of human BRD4 in complex with a 3,5-dimethylisoxazol ligand
TO BE PUBLISHED
3SVF
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BU of 3svf by Molmil
Crystal Structure of the first bromodomain of human BRD4 in complex with a dihydro-quinazolin ligand
分子名称: (4S)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(2-hydroxyethoxy)-3-methyl-3,4-dihydroquinazolin-2(1H)-one, Bromodomain-containing protein 4
著者Filippakopoulos, P, Picaud, S, Felletar, I, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
登録日2011-07-12
公開日2011-08-10
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.975 Å)
主引用文献Crystal Structure of the first bromodomain of human BRD4 in complex with a dihydro-quinazolin ligand
TO BE PUBLISHED
3S4Y
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BU of 3s4y by Molmil
Crystal structure of human thiamin pyrophosphokinase 1
分子名称: CALCIUM ION, SULFATE ION, THIAMINE DIPHOSPHATE, ...
著者Shen, L, Tempel, W, Tong, Y, Li, Y, Walker, J.R, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Park, H, Structural Genomics Consortium (SGC)
登録日2011-05-20
公開日2011-06-08
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structure of human thiamin pyrophosphokinase 1
to be published
3SN5
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BU of 3sn5 by Molmil
Crystal structure of human CYP7A1 in complex with cholest-4-en-3-one
分子名称: (8ALPHA,9BETA)-CHOLEST-4-EN-3-ONE, Cholesterol 7-alpha-monooxygenase, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Strushkevich, N, Tempel, W, MacKenzie, F, Wernimont, A.K, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Park, H, Structural Genomics Consortium (SGC)
登録日2011-06-28
公開日2011-07-13
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Crystal structure of human CYP7A1 in complex with cholest-4-en-3-one
To be Published
3S95
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BU of 3s95 by Molmil
Crystal structure of the human LIMK1 kinase domain in complex with staurosporine
分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ...
著者Beltrami, A, Chaikuad, A, Daga, N, Elkins, J.M, Mahajan, P, Savitsky, P, Vollmar, M, Krojer, T, Muniz, J.R.C, Fedorov, O, Allerston, C.K, Yue, W.W, Gileadi, O, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Knapp, S, Bullock, A, Structural Genomics Consortium (SGC)
登録日2011-05-31
公開日2011-07-06
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Crystal structure of the human LIMK1 kinase domain in complex with staurosporine
To be Published
3SVH
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Crystal Structure of the bromdomain of human CREBBP in complex with a 3,5-dimethylisoxazol ligand
分子名称: 1,2-ETHANEDIOL, 3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-ethoxybenzoic acid, CREB-binding protein
著者Filippakopoulos, P, Picaud, S, Felletar, I, Hewings, S.D, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Conway, S.J, Knapp, S, Structural Genomics Consortium (SGC)
登録日2011-07-12
公開日2011-08-10
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal Structure of the bromdomain of human CREBBP in complex with a 3,5-dimethylisoxazol ligand
To be Published
3SMQ
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BU of 3smq by Molmil
Crystal structure of protein arginine methyltransferase 3
分子名称: 1-(1,2,3-benzothiadiazol-6-yl)-3-[2-(cyclohex-1-en-1-yl)ethyl]urea, CHLORIDE ION, Protein arginine N-methyltransferase 3, ...
著者Dobrovetsky, E, Dong, A, Walker, J.R, Siarheyeva, A, Senisterra, G, Wasney, G.A, Smil, D, Bolshan, Y, Nguyen, K.T, Allali-Hassani, A, Hajian, T, Poda, G, Bountra, C, Weigelt, J, Edwards, A.M, Al-Awar, R, Brown, P.J, Schapira, M, Arrowsmith, C.H, Vedadi, M, Structural Genomics Consortium (SGC)
登録日2011-06-28
公開日2011-08-31
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献An allosteric inhibitor of protein arginine methyltransferase 3.
Structure, 20, 2012
3S8I
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BU of 3s8i by Molmil
The retroviral-like protease (RVP) domain of human DDI1
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, PHOSPHATE ION, ...
著者Walker, J.R, Asinas, A, Dong, A, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Dhe-Paganon, S, Structural Genomics Consortium (SGC)
登録日2011-05-28
公開日2011-07-06
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Retropepsin-Like Domain of Human DDI1
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
3SMP
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BU of 3smp by Molmil
Monoclinic crystal structure of human pantothenate kinase 1 alpha
分子名称: ACETYL COENZYME *A, ARSENIC, CHLORIDE ION, ...
著者Guan, X, Tempel, W, Hong, B, Wernimont, A.K, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Park, H, Structural Genomics Consortium (SGC)
登録日2011-06-28
公開日2011-07-20
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Monoclinic crystal structure of human pantothenate kinase 1 alpha
to be published
3S91
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BU of 3s91 by Molmil
Crystal Structure of the first bromodomain of human BRD3 in complex with the inhibitor JQ1
分子名称: (6S)-6-(2-tert-butoxy-2-oxoethyl)-4-(4-chlorophenyl)-2,3,9-trimethyl-6,7-dihydrothieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-10-ium, Bromodomain-containing protein 3, ISOPROPYL ALCOHOL
著者Filippakopoulos, P, Picaud, S, Qi, J, Keates, T, Felletar, I, Fedorov, O, Muniz, J, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Bradner, J.E, Knapp, S, Structural Genomics Consortium (SGC)
登録日2011-05-31
公開日2011-06-29
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献Crystal Structure of the first bromodomain of human BRD3 in complex with the inhibitor JQ1
To be Published
3S6B
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BU of 3s6b by Molmil
Crystal structure of methionine aminopeptidase 1b from Plasmodium Falciparum, PF10_0150
分子名称: FE (III) ION, GLYCEROL, Methionine aminopeptidase
著者Wernimont, A.K, Artz, J.D, Crombet, L, Lew, J, Weadge, J, Tempel, W, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Hui, R, Hills, T, Structural Genomics Consortium (SGC)
登録日2011-05-25
公開日2011-06-29
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Crystal structure of methionine aminopeptidase 1b from Plasmodium Falciparum, PF10_0150
To be Published
3U12
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BU of 3u12 by Molmil
The pleckstrin homology (PH) domain of USP37
分子名称: 1,2-ETHANEDIOL, ACETATE ION, SULFATE ION, ...
著者Dong, A, Nair, U.B, Wernimont, A, Walker, J.R, Weigelt, J, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Dhe-Paganon, S, Structural Genomics Consortium (SGC)
登録日2011-09-29
公開日2011-11-09
最終更新日2012-05-02
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献The pleckstrin homology (PH) domain of USP37
To be Published
3UXG
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BU of 3uxg by Molmil
Crystal structure of RFXANK
分子名称: DNA-binding protein RFXANK, Histone deacetylase 4, UNKNOWN ATOM OR ION
著者Tempel, W, Chao, X, Bian, C, Li, Y, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
登録日2011-12-05
公開日2012-06-13
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Sequence-Specific Recognition of a PxLPxI/L Motif by an Ankyrin Repeat Tumbler Lock.
Sci.Signal., 5, 2012
3UV5
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BU of 3uv5 by Molmil
Crystal Structure of the tandem bromodomains of human Transcription initiation factor TFIID subunit 1 (TAF1)
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Transcription initiation factor TFIID subunit 1
著者Filippakopoulos, P, Felletar, I, Picaud, S, Keates, T, Muniz, J, Gileadi, O, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
登録日2011-11-29
公開日2012-01-18
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Histone recognition and large-scale structural analysis of the human bromodomain family.
Cell(Cambridge,Mass.), 149, 2012
3UVY
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Crystal Structure of the first bromodomain of human BRD4 in complex with a diacetylated histone 4 peptide (H4K16acK20ac)
分子名称: Bromodomain-containing protein 4, Histone H4
著者Filippakopoulos, P, Felletar, I, Picaud, S, Keates, T, Muniz, J, Gileadi, O, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
登録日2011-11-30
公開日2012-01-18
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献Histone recognition and large-scale structural analysis of the human bromodomain family.
Cell(Cambridge,Mass.), 149, 2012
3V8D
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BU of 3v8d by Molmil
Crystal structure of human CYP7A1 in complex with 7-ketocholesterol
分子名称: (3beta,8alpha,9beta)-3-hydroxycholest-5-en-7-one, Cholesterol 7-alpha-monooxygenase, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Strushkevich, N, Tempel, W, MacKenzie, F, Wernimont, A.K, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Usanov, S.A, Park, H, Structural Genomics Consortium (SGC)
登録日2011-12-22
公開日2013-01-09
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structure of human CYP7A1 in complex with 7-ketocholesterol
To be Published
3UOW
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Crystal Structure of PF10_0123, a GMP Synthetase from Plasmodium Falciparum
分子名称: CALCIUM ION, GMP synthetase, XANTHOSINE-5'-MONOPHOSPHATE
著者Wernimont, A.K, Dong, A, Hills, T, Amani, M, Perieteanu, A, Lin, Y.H, Loppnau, P, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Hui, R, Structural Genomics Consortium (SGC)
登録日2011-11-17
公開日2011-12-07
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.72 Å)
主引用文献Crystal Structure of PF10_0123, a GMP Synthetase from Plasmodium Falciparum
TO BE PUBLISHED
3UT1
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Crystal structure of the 3-MBT repeat domain of L3MBTL3
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, COBALT (II) ION, Lethal(3)malignant brain tumor-like protein 3, ...
著者Zhong, N, Tempel, W, Wernimont, A.K, Graslund, S, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Brown, P.J, Structural Genomics Consortium (SGC)
登録日2011-11-24
公開日2011-12-28
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Crystal structure of the 3-MBT repeat domain of L3MBTL3
to be published
3UVX
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Crystal Structure of the first bromodomain of human BRD4 in complex with a diacetylated histone 4 peptide (H4K12acK16ac)
分子名称: 1,2-ETHANEDIOL, Bromodomain-containing protein 4, FORMIC ACID, ...
著者Filippakopoulos, P, Picaud, S, Keates, T, Ugochukwu, E, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
登録日2011-11-30
公開日2012-01-25
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献Histone recognition and large-scale structural analysis of the human bromodomain family.
Cell(Cambridge,Mass.), 149, 2012
3UWN
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The 3-MBT repeat domain of L3MBTL1 in complex with a methyl-lysine mimic
分子名称: Lethal(3)malignant brain tumor-like protein 1, 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, Wernimont, A.K, Graslund, S, Ingerman, L.A, Korboukh, V, Kireev, D.B, Gao, C, Frye, S.V, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Brown, P.J, Structural Genomics Consortium (SGC)
登録日2011-12-02
公開日2012-03-07
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献The 3-MBT repeat domain of L3MBTL1 in complex with a methyl-lysine mimic
To be Published
3UZD
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Crystal structure of 14-3-3 GAMMA
分子名称: 14-3-3 protein gamma, Histone deacetylase 4, MAGNESIUM ION, ...
著者Xu, C, Bian, C, MacKenzie, F, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
登録日2011-12-07
公開日2012-03-21
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Sequence-Specific Recognition of a PxLPxI/L Motif by an Ankyrin Repeat Tumbler Lock.
Sci.Signal., 5, 2012
3V2X
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Crystal Structure of the Peptide Bound Complex of the Ankyrin Repeat Domains of Human ANKRA2
分子名称: Ankyrin repeat family A protein 2, Low-density lipoprotein receptor-related protein 2
著者Lam, R, Xu, C, Bian, C.B, Kania, J, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Min, J, Structural Genomics Consortium (SGC)
登録日2011-12-12
公開日2012-04-04
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Sequence-Specific Recognition of a PxLPxI/L Motif by an Ankyrin Repeat Tumbler Lock.
Sci.Signal., 5, 2012
3UR4
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Crystal structure of human WD repeat domain 5 with compound
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, SULFATE ION, ...
著者Dong, A, Dombrovski, L, Senisterra, G, Wernimont, A, Wasney, G.A, Allali Hassani, A, Nguyen, K.T, Smil, D, Bolshan, Y, Hajian, T, Poda, G, Chau, I, Al-Awar, R, Bountra, C, Weigelt, J, Edwards, A.M, Arrowsmith, C.H, Brown, P, Schapira, M, Vedadi, M, Wu, H, Structural Genomics Consortium (SGC)
登録日2011-11-21
公開日2011-12-14
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Small-molecule inhibition of MLL activity by disruption of its interaction with WDR5.
Biochem. J., 449, 2013

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