3IAR
 
 | | The crystal structure of human adenosine deaminase | | 分子名称: | (2R,3S,5R)-5-(6-amino-9H-purin-9-yl)-tetrahydro-2-(hydroxymethyl)furan-3-ol, Adenosine deaminase, GLYCEROL, ... | | 著者 | Ugochukwu, E, Zhang, Y, Hapka, E, Yue, W.W, Bray, J.E, Muniz, J, Burgess-Brown, N, Chaikuad, A, von Delft, F, Bountra, C, Arrowsmith, C.H, Weigelt, J, Edwards, A, Kavanagh, K.L, Oppermann, U, Structural Genomics Consortium (SGC) | | 登録日 | 2009-07-14 | | 公開日 | 2009-08-11 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (1.52 Å) | | 主引用文献 | The crystal structure of human adenosine deaminase
To be Published
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3IU6
 | | Crystal structure of the sixth bromodomain of human poly-bromodomain containing protein 1 (PB1) | | 分子名称: | 1,2-ETHANEDIOL, Protein polybromo-1, ZINC ION | | 著者 | Filippakopoulos, P, Keates, T, Picaud, S, Pike, A.C.W, Ugochukwu, E, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | | 登録日 | 2009-08-30 | | 公開日 | 2009-09-22 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.79 Å) | | 主引用文献 | Histone recognition and large-scale structural analysis of the human bromodomain family.
Cell(Cambridge,Mass.), 149, 2012
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3O2G
 | | Crystal Structure of Human gamma-butyrobetaine,2-oxoglutarate dioxygenase 1 (BBOX1) | | 分子名称: | 1,2-ETHANEDIOL, 3-CARBOXY-N,N,N-TRIMETHYLPROPAN-1-AMINIUM, Gamma-butyrobetaine dioxygenase, ... | | 著者 | Krojer, T, Kochan, G, McDonough, M.A, von Delft, F, Leung, I.K.H, Henry, L, Claridge, T.D.W, Pilka, E, Ugochukwu, E, Muniz, J, Filippakopoulos, P, Bountra, C, Arrowsmith, C.H, Weigelt, J, Edwards, A, Kavanagh, K.L, Schofield, C.J, Oppermann, U, Structural Genomics Consortium (SGC) | | 登録日 | 2010-07-22 | | 公開日 | 2010-09-15 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (1.78 Å) | | 主引用文献 | Structural and mechanistic studies on gamma-butyrobetaine hydroxylase.
Chem. Biol., 17, 2010
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3IU5
 | | Crystal structure of the first bromodomain of human poly-bromodomain containing protein 1 (PB1) | | 分子名称: | Protein polybromo-1 | | 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 | 2009-08-30 | | 公開日 | 2009-09-22 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (1.63 Å) | | 主引用文献 | Histone recognition and large-scale structural analysis of the human bromodomain family.
Cell(Cambridge,Mass.), 149, 2012
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2YDY
 | | Crystal structure of human S-adenosylmethionine synthetase 2, beta subunit in Orthorhombic crystal form | | 分子名称: | CHLORIDE ION, METHIONINE ADENOSYLTRANSFERASE 2 SUBUNIT BETA, SULFATE ION | | 著者 | Yue, W.W, Shafqat, N, Muniz, J.R.C, Pike, A.C.W, Chaikuad, A, Allerston, C.K, Gileadi, O, von Delft, F, Kavanagh, K.L, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Oppermann, U. | | 登録日 | 2011-03-25 | | 公開日 | 2011-04-20 | | 最終更新日 | 2024-10-09 | | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | | 主引用文献 | Insight Into S-Adenosylmethionine Biosynthesis from the Crystal Structures of the Human Methionine Adenosyltransferase Catalytic and Regulatory Subunits.
Biochem.J., 452, 2013
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3HX4
 | | Crystal structure of CDPK1 of Toxoplasma gondii, TGME49_101440, in presence of calcium | | 分子名称: | CALCIUM ION, Calmodulin-domain protein kinase 1, GLYCEROL, ... | | 著者 | Wernimont, A.K, Artz, J.D, Finnerty, P, Xiao, T, He, H, MacKenzie, F, Sinestera, G, Hassani, A.A, Wasney, G, Vedadi, M, Lourido, S, Bochkarev, A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Sibley, D.L, Hui, R, Lin, Y.H, Structural Genomics Consortium (SGC) | | 登録日 | 2009-06-19 | | 公開日 | 2009-07-21 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Structures of apicomplexan calcium-dependent protein kinases reveal mechanism of activation by calcium.
Nat.Struct.Mol.Biol., 17, 2010
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3ONI
 | | Crystal Structure of the second bromodomain of human BRD2 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, 1,2-ETHANEDIOL, Bromodomain containing 2, ... | | 著者 | Filippakopoulos, P, Picaud, S, Fedorov, O, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Bradner, J.E, Structural Genomics Consortium (SGC) | | 登録日 | 2010-08-29 | | 公開日 | 2010-10-06 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (1.61 Å) | | 主引用文献 | Selective inhibition of BET bromodomains.
Nature, 468, 2010
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6I5K
 | | Crystal structure of CLK1 in complexed with furo[3,2-b]pyridine compound VN345 (derivative of compound 12h) | | 分子名称: | 5-(1-methylpyrazol-4-yl)-3-(3-propan-2-yloxyphenyl)furo[3,2-b]pyridine, Dual specificity protein kinase CLK1, GLYCEROL, ... | | 著者 | Chaikuad, A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Paruch, K, Knapp, S, Structural Genomics Consortium (SGC) | | 登録日 | 2018-11-13 | | 公開日 | 2019-01-09 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Furo[3,2-b]pyridine: A Privileged Scaffold for Highly Selective Kinase Inhibitors and Effective Modulators of the Hedgehog Pathway.
Angew. Chem. Int. Ed. Engl., 58, 2019
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6HPW
 | | Crystal structure of ENL (MLLT1) in complex with compound 20 | | 分子名称: | 1,2-ETHANEDIOL, 3-iodanyl-4-methyl-~{N}-[2-(piperidin-1-ylmethyl)-3~{H}-benzimidazol-5-yl]benzamide, Protein ENL | | 著者 | Heidenreich, D, Chaikuad, A, Moustakim, M, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Brennan, P.E, Knapp, S, Structural Genomics Consortium (SGC) | | 登録日 | 2018-09-22 | | 公開日 | 2018-11-28 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Structure-Based Approach toward Identification of Inhibitory Fragments for Eleven-Nineteen-Leukemia Protein (ENL).
J.Med.Chem., 61, 2018
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6HQ0
 | | Crystal structure of ENL (MLLT1), apo form | | 分子名称: | 1,2-ETHANEDIOL, Protein ENL | | 著者 | Heidenreich, D, Chaikuad, A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | | 登録日 | 2018-09-22 | | 公開日 | 2018-11-28 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.81 Å) | | 主引用文献 | Structure-Based Approach toward Identification of Inhibitory Fragments for Eleven-Nineteen-Leukemia Protein (ENL).
J.Med.Chem., 61, 2018
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3I2B
 | | The crystal structure of human 6 Pyruvoyl Tetrahydrobiopterin Synthase | | 分子名称: | 1,2-ETHANEDIOL, 6-pyruvoyl tetrahydrobiopterin synthase, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Ugochukwu, E, Cocking, R, Pilka, E, Yue, W.W, Bray, J.E, Chaikuad, A, Krojer, T, Muniz, J, von Delft, F, Bountra, C, Arrowsmith, C.H, Weigelt, J, Edwards, A, Oppermann, U, Structural Genomics Consortium (SGC) | | 登録日 | 2009-06-29 | | 公開日 | 2009-07-28 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | The crystal structure of human 6 Pyruvoyl Tetrahydrobiopterin Synthase
To be Published
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6IBD
 | | The Phosphatase and C2 domains of Human SHIP1 | | 分子名称: | Phosphatidylinositol 3,4,5-trisphosphate 5-phosphatase 1 | | 著者 | Bradshaw, W.J, Williams, E.P, Fernandez-Cid, A, Burgess-Brown, N, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. | | 登録日 | 2018-11-29 | | 公開日 | 2019-01-16 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (1.48 Å) | | 主引用文献 | Regulation of inositol 5-phosphatase activity by the C2 domain of SHIP1 and SHIP2.
Structure, 2024
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6HPX
 | | Crystal structure of ENL (MLLT1) in complex with compound 19 | | 分子名称: | 1,2-ETHANEDIOL, Protein ENL, ~{N}-[(3-chlorophenyl)methyl]-1-(2-pyrrolidin-1-ylethyl)benzimidazole-5-carboxamide | | 著者 | Heidenreich, D, Chaikuad, A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | | 登録日 | 2018-09-22 | | 公開日 | 2018-11-28 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Structure-Based Approach toward Identification of Inhibitory Fragments for Eleven-Nineteen-Leukemia Protein (ENL).
J.Med.Chem., 61, 2018
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3G15
 | | Crystal structure of human choline kinase alpha in complex with hemicholinium-3 and ADP | | 分子名称: | (2S,2'S)-2,2'-biphenyl-4,4'-diylbis(2-hydroxy-4,4-dimethylmorpholin-4-ium), ADENOSINE-5'-DIPHOSPHATE, Choline kinase alpha, ... | | 著者 | Hong, B.S, Tempel, W, Rabeh, W.M, MacKenzie, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Bochkarev, A, Park, H.W, Structural Genomics Consortium (SGC) | | 登録日 | 2009-01-29 | | 公開日 | 2009-02-10 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Crystal structures of human choline kinase isoforms in complex with hemicholinium-3: single amino acid near the active site influences inhibitor sensitivity.
J.Biol.Chem., 285, 2010
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6I5H
 | | Crystal structure of CLK1 in complex with furanopyrimidin VN412 | | 分子名称: | 1,2-ETHANEDIOL, 5-(1-methylpyrazol-4-yl)-3-(3-phenoxyphenyl)furo[3,2-b]pyridine, Dual specificity protein kinase CLK1, ... | | 著者 | Schroeder, M, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Paruch, K, Knapp, S, Structural Genomics Consortium (SGC) | | 登録日 | 2018-11-13 | | 公開日 | 2019-01-16 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.49 Å) | | 主引用文献 | Furo[3,2-b]pyridine: A Privileged Scaffold for Highly Selective Kinase Inhibitors and Effective Modulators of the Hedgehog Pathway.
Angew. Chem. Int. Ed. Engl., 58, 2019
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3RJW
 | | Crystal structure of histone lysine methyltransferase g9a with an inhibitor | | 分子名称: | 2-cyclohexyl-6-methoxy-N-[1-(1-methylethyl)piperidin-4-yl]-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine, Histone-lysine N-methyltransferase EHMT2, S-ADENOSYL-L-HOMOCYSTEINE, ... | | 著者 | Dong, A, Wasney, G.A, Tempel, W, Liu, F, Barsyte, D, Allali-Hassani, A, Chen, X, Chau, I, Hajian, T, Senisterra, G, Chavda, N, Arora, K, Siarheyeva, A, Kireev, D.B, Herold, J.M, Bochkarev, A, Bountra, C, Weigelt, J, Edwards, A.M, Frye, S.V, Arrowsmith, C.H, Brown, P.J, Jin, J, Vedadi, M, Structural Genomics Consortium (SGC) | | 登録日 | 2011-04-15 | | 公開日 | 2011-05-04 | | 最終更新日 | 2024-11-20 | | 実験手法 | X-RAY DIFFRACTION (2.56 Å) | | 主引用文献 | A chemical probe selectively inhibits G9a and GLP methyltransferase activity in cells.
Nat.Chem.Biol., 7, 2011
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3QKI
 | | Crystal structure of Glucose-6-Phosphate Isomerase (PF14_0341) from Plasmodium falciparum 3D7 | | 分子名称: | Glucose-6-phosphate isomerase | | 著者 | Gileadi, T, Wernimont, A.K, Hutchinson, A, Weadge, J, Cossar, D, Lew, J, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Hui, R, Hills, T, Pizarro, J.C, Structural Genomics Consortium (SGC) | | 登録日 | 2011-02-01 | | 公開日 | 2011-02-16 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (1.92 Å) | | 主引用文献 | Crystal structure of Glucose-6-Phosphate Isomerase (PF14_0341) from Plasmodium falciparum 3D7
TO BE PUBLISHED
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3H8H
 | | Structure of the C-terminal domain of human RNF2/RING1B; | | 分子名称: | CHLORIDE ION, E3 ubiquitin-protein ligase RING2, GLYCEROL, ... | | 著者 | Walker, J.R, Bezsonova, I, Bacik, J, Duan, S, Weigelt, J, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC) | | 登録日 | 2009-04-29 | | 公開日 | 2009-06-23 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Ring1B contains a ubiquitin-like docking module for interaction with Cbx proteins.
Biochemistry, 48, 2009
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3ITK
 | | Crystal structure of human UDP-glucose dehydrogenase Thr131Ala, apo form. | | 分子名称: | 1,2-ETHANEDIOL, TETRAETHYLENE GLYCOL, UDP-glucose 6-dehydrogenase | | 著者 | Chaikuad, A, Egger, S, Yue, W.W, Sethi, R, Filippakopoulos, P, Muniz, J.R.C, von Delft, F, Bountra, C, Arrowsmith, C.H, Weigelt, J, Edwards, A.M, Kavanagh, K.L, Nidetzky, B, Oppermann, U, Structural Genomics Consortium (SGC) | | 登録日 | 2009-08-28 | | 公開日 | 2009-09-15 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Structure and mechanism of human UDP-glucose 6-dehydrogenase.
J.Biol.Chem., 286, 2011
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3QVB
 | | Crystal Structure of Human Glycogenin-1 (GYG1) complexed with manganese and UDP | | 分子名称: | 1,2-ETHANEDIOL, Glycogenin-1, MANGANESE (II) ION, ... | | 著者 | Chaikuad, A, Froese, D.S, Yue, W.W, Krysztofinska, E, von Delft, F, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Oppermann, U, Structural Genomics Consortium (SGC) | | 登録日 | 2011-02-25 | | 公開日 | 2011-03-23 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (2.26 Å) | | 主引用文献 | Conformational plasticity of glycogenin and its maltosaccharide substrate during glycogen biogenesis.
Proc.Natl.Acad.Sci.USA, 108, 2011
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3QWP
 | | Crystal structure of SET and MYND domain containing 3; Zinc finger MYND domain-containing protein 1 | | 分子名称: | GLYCEROL, S-ADENOSYLMETHIONINE, SET and MYND domain-containing protein 3, ... | | 著者 | Dong, A, Dombrovski, L, Li, Y, Wernimont, A, Weigelt, J, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Wu, H, Structural Genomics Consortium (SGC) | | 登録日 | 2011-02-28 | | 公開日 | 2011-04-06 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (1.53 Å) | | 主引用文献 | The Crystal Structure of human Histone-lysine N-methyltransferase SMYD3
To be Published
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3GV6
 | | Crystal Structure of human chromobox homolog 6 (CBX6) with H3K9 peptide | | 分子名称: | Chromobox protein homolog 6, Histone H3K9me3 peptide | | 著者 | Dong, A, Amaya, M.F, Li, Z, Loppnau, P, Kozieradzki, I, Edwards, A.M, Arrowsmith, C.H, Weigelt, J, Bountra, C, Bochkarev, A, Min, J, Ouyang, H, Structural Genomics Consortium (SGC) | | 登録日 | 2009-03-30 | | 公開日 | 2009-04-21 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (1.76 Å) | | 主引用文献 | Recognition and specificity determinants of the human cbx chromodomains.
J.Biol.Chem., 286, 2011
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3RMW
 | | Crystal Structure of Human Glycogenin-1 (GYG1) T83M mutant complexed with manganese and UDP-glucose | | 分子名称: | 1,2-ETHANEDIOL, Glycogenin-1, MAGNESIUM ION, ... | | 著者 | Chaikuad, A, Froese, D.S, Yue, W.W, Krysztofinska, E, von Delft, F, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Oppermann, U, Structural Genomics Consortium (SGC) | | 登録日 | 2011-04-21 | | 公開日 | 2011-05-11 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (1.93 Å) | | 主引用文献 | Conformational plasticity of glycogenin and its maltosaccharide substrate during glycogen biogenesis.
Proc.Natl.Acad.Sci.USA, 108, 2011
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3H8V
 | | Human Ubiquitin-activating Enzyme 5 in Complex with ATP | | 分子名称: | ADENOSINE-5'-TRIPHOSPHATE, Ubiquitin-like modifier-activating enzyme 5, ZINC ION | | 著者 | Walker, J.R, Bacik, J.P, Rastgoo, N, Weigelt, J, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC) | | 登録日 | 2009-04-29 | | 公開日 | 2009-05-26 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Crystal structure of the human ubiquitin-activating enzyme 5 (UBA5) bound to ATP: mechanistic insights into a minimalistic E1 enzyme.
J.Biol.Chem., 285, 2010
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6HP9
 | | Structure of the kinase domain of human DDR1 in complex with a 2-Amino-2,3-Dihydro-1H-Indene-5-Carboxamide-based inhibitor | | 分子名称: | (2~{R})-~{N}-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-2-(pyrimidin-5-ylamino)-2,3-dihydro-1~{H}-indene-5-carboxamide, Epithelial discoidin domain-containing receptor 1 | | 著者 | Pinkas, D.M, Fox, A.E, Kupinska, K, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.N, Structural Genomics Consortium (SGC) | | 登録日 | 2018-09-19 | | 公開日 | 2019-01-30 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.96 Å) | | 主引用文献 | 2-Amino-2,3-dihydro-1H-indene-5-carboxamide-Based Discoidin Domain Receptor 1 (DDR1) Inhibitors: Design, Synthesis, and in Vivo Antipancreatic Cancer Efficacy.
J.Med.Chem., 62, 2019
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