9BKN
 
 | | DHODH in complex with Ligand 16 | | 分子名称: | (2P,6P)-6-[4-ethyl-3-(hydroxymethyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-7-fluoro-2-(2-methylphenyl)-4-(propan-2-yl)isoquinolin-1(2H)-one, ACETATE ION, CHLORIDE ION, ... | | 著者 | Shaffer, P.L. | | 登録日 | 2024-04-29 | | 公開日 | 2024-07-03 | | 最終更新日 | 2024-07-24 | | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | | 主引用文献 | Discovery of JNJ-74856665: A Novel Isoquinolinone DHODH Inhibitor for the Treatment of AML.
J.Med.Chem., 67, 2024
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8Z4S
 | | The crystal structure of a Hydroquinone Dioxygenase PaD with nonnatural substrate S6 | | 分子名称: | 2,3,5-trimethylbenzene-1,4-diol, ACETATE ION, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Liu, Z.W, Huang, J.-W, Wang, Y.X, Chen, C.-C, Guo, R.-T. | | 登録日 | 2024-04-17 | | 公開日 | 2024-09-11 | | 実験手法 | X-RAY DIFFRACTION (1.93 Å) | | 主引用文献 | Substrate specificity of a branch of aromatic dioxygenases determined by three distinct motifs.
Nat Commun, 15, 2024
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9B75
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9EQ1
 | | Crystal structure of human Casein Kinase II subunit alpha (CK2a1) in complex with allosteric ligand FGJM24 | | 分子名称: | 1,2-ETHANEDIOL, Casein kinase II subunit alpha, SULFATE ION, ... | | 著者 | Kraemer, A, Greco, F, Moeckel, J, Knapp, S, Structural Genomics Consortium (SGC) | | 登録日 | 2024-03-20 | | 公開日 | 2024-05-01 | | 最終更新日 | 2024-08-07 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | Synthesis and evaluation of chemical linchpins for highly selective CK2 alpha targeting.
Eur.J.Med.Chem., 276, 2024
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9BBE
 | | 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
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4OSO
 | | The crystal structure of landomycin C-6 ketoreductase LanV with bound NADP and rabelomycin | | 分子名称: | DI(HYDROXYETHYL)ETHER, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Reductase homolog, ... | | 著者 | Paananen, P, Niiranen, L, Patrikainen, P, Metsa-Ketela, M. | | 登録日 | 2014-02-13 | | 公開日 | 2014-10-01 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Structure-based engineering of angucyclinone 6-ketoreductases.
Chem.Biol., 21, 2014
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9C1Q
 | | Crystal structure of the WDR domain of human DCAF1 in complex with OICR-39512 compound | | 分子名称: | (4P)-N-[(1S)-3-amino-1-(3-chloro-4-fluorophenyl)-3-oxopropyl]-4-(4-chloro-2-fluorophenyl)-5-(3-methoxyprop-1-yn-1-yl)-1H-pyrrole-3-carboxamide, CHLORIDE ION, DDB1- and CUL4-associated factor 1, ... | | 著者 | kimani, S, Dong, A, Li, Y, Seitova, A, Al-awar, R, Wilson, B, Ackloo, S, Arrowsmith, C.H, Edwards, A.M, Halabelian, L. | | 登録日 | 2024-05-29 | | 公開日 | 2024-08-07 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Crystal structure of the WDR domain of human DCAF1 in complex with OICR-39512 compound
To be published
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9F3Z
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4OTD
 | | Crystal Structure of PRK1 Catalytic Domain | | 分子名称: | Serine/threonine-protein kinase N1 | | 著者 | Chamberlain, P.P, Delker, S, Pagarigan, B, Mahmoudi, A, Jackson, P, Abbassian, M, Muir, J, Raheja, N, Cathers, B. | | 登録日 | 2014-02-13 | | 公開日 | 2014-08-27 | | 最終更新日 | 2018-01-24 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Crystal Structures of PRK1 in Complex with the Clinical Compounds Lestaurtinib and Tofacitinib Reveal Ligand Induced Conformational Changes.
Plos One, 9, 2014
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9EPY
 | | Crystal structure of human Casein Kinase II subunit alpha (CK2a1) in complex with allosteric ligand FGC3330 | | 分子名称: | 1,2-ETHANEDIOL, Casein kinase II subunit alpha, SULFATE ION, ... | | 著者 | Kraemer, A, Greco, F, Knapp, S, Structural Genomics Consortium (SGC) | | 登録日 | 2024-03-20 | | 公開日 | 2024-05-01 | | 最終更新日 | 2024-08-07 | | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | | 主引用文献 | Synthesis and evaluation of chemical linchpins for highly selective CK2 alpha targeting.
Eur.J.Med.Chem., 276, 2024
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9FXH
 | | Crystal structure of cobalt(II)-substituted double mutant Y115E Y117E human Glutaminyl Cyclase | | 分子名称: | COBALT (II) ION, GLYCEROL, Glutaminyl-peptide cyclotransferase, ... | | 著者 | Tassone, G, Pozzi, C, Mangani, S. | | 登録日 | 2024-07-01 | | 公開日 | 2024-09-04 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Metal Ion Binding to Human Glutaminyl Cyclase: A Structural Perspective.
Int J Mol Sci, 25, 2024
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9BGP
 | | X-ray structure of the aminotransferase from Vibrio vulnificus responsible for the biosynthesis of 2,3-diacetamido-4-amino-2,3,4-trideoxy-arabinose in the presence of its internal aldimine | | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, aminotransferase | | 著者 | Fait, D.J, Thoden, J.B, Holden, H.M. | | 登録日 | 2024-04-19 | | 公開日 | 2024-07-03 | | 実験手法 | X-RAY DIFFRACTION (1.25 Å) | | 主引用文献 | Biochemical Investigation of an Aminotransferase Required for the Production of 2,3,4-triacetamido-2,3,4-trideoxy-L-arabinose
To Be Published
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9EPW
 | | Crystal structure of human Casein Kinase II subunit alpha (CK2a1) in complex with allosteric ligand FGC3336 | | 分子名称: | Casein kinase II subunit alpha, SULFATE ION, ~{N}-[(3-chloranyl-4-phenyl-phenyl)methyl]-2-[1-(3-methylquinolin-8-yl)sulfonylpiperidin-4-yl]ethanamine | | 著者 | Kraemer, A, Greco, F, Knapp, S, Structural Genomics Consortium (SGC) | | 登録日 | 2024-03-20 | | 公開日 | 2024-05-01 | | 最終更新日 | 2024-08-07 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Synthesis and evaluation of chemical linchpins for highly selective CK2 alpha targeting.
Eur.J.Med.Chem., 276, 2024
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4OVE
 | | X-ray Crystal Structure of Mouse Netrin-1 | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | 著者 | Meier, M, Nikodemus, D, Reuten, R, Patel, T.R, Orriss, G, Okun, N, Koch, M, Stetefeld, J. | | 登録日 | 2014-02-21 | | 公開日 | 2015-02-25 | | 最終更新日 | 2020-07-29 | | 実験手法 | X-RAY DIFFRACTION (2.64 Å) | | 主引用文献 | Structural Decoding of the Netrin-1/UNC5 Interaction and its Therapeutical Implications in Cancers.
Cancer Cell, 29, 2016
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9J0V
 | | Crystal structure of monomeric PLP-dependent transaminase from Desulfobacula toluolica in P 21 21 21 space group | | 分子名称: | DI(HYDROXYETHYL)ETHER, Dat: predicted D-alanine aminotransferase, GLYCEROL, ... | | 著者 | Matyuta, I.O, Bakunova, A.K, Nikolaeva, A.Y, Rakitina, T.V, Bezsudnova, E.Y, Popov, V.O, Boyko, K.M. | | 登録日 | 2024-08-03 | | 公開日 | 2024-09-18 | | 実験手法 | X-RAY DIFFRACTION (1.79 Å) | | 主引用文献 | High/low resolution monomeric PLP-dependent transaminase from Desulfobacula toluolica
To Be Published
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9D8A
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9BC3
 | | Transglutaminase 2 - Alternate state | | 分子名称: | CALCIUM ION, HB-225 (gluten peptidomimetic TG2 inhibitor), Protein-glutamine gamma-glutamyltransferase 2 | | 著者 | Mathews, I.I, Sewa, A.S, Khosla, C. | | 登録日 | 2024-04-07 | | 公開日 | 2024-07-03 | | 最終更新日 | 2024-07-17 | | 実験手法 | X-RAY DIFFRACTION (2.52 Å) | | 主引用文献 | Structural and mechanistic analysis of Ca 2+ -dependent regulation of transglutaminase 2 activity using a Ca 2+ -bound intermediate state.
Proc.Natl.Acad.Sci.USA, 121, 2024
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9BKO
 | | DHODH in complex with Ligand 26 | | 分子名称: | (2P,6P)-6-[4-ethyl-3-(hydroxymethyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-7-fluoro-2-(2-methylphenyl)-4-[(2R)-1,1,1-trifluoropropan-2-yl]isoquinolin-1(2H)-one, ACETATE ION, CHLORIDE ION, ... | | 著者 | Shaffer, P.L. | | 登録日 | 2024-04-29 | | 公開日 | 2024-07-03 | | 最終更新日 | 2024-07-24 | | 実験手法 | X-RAY DIFFRACTION (1.44 Å) | | 主引用文献 | Discovery of JNJ-74856665: A Novel Isoquinolinone DHODH Inhibitor for the Treatment of AML.
J.Med.Chem., 67, 2024
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9FOF
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9FD3
 | | CysG(N-16)-D190N mutant in complex with SAH from Kitasatospora cystarginea | | 分子名称: | 1,2-ETHANEDIOL, CALCIUM ION, S-ADENOSYL-L-HOMOCYSTEINE, ... | | 著者 | Kuttenlochner, W, Beller, P, Kaysser, L, Groll, M. | | 登録日 | 2024-05-16 | | 公開日 | 2024-08-21 | | 最終更新日 | 2024-09-18 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | Deciphering the SAM- and metal-dependent mechanism of O-methyltransferases in cystargolide and belactosin biosynthesis: A structure-activity relationship study.
J.Biol.Chem., 300, 2024
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9EPV
 | | Crystal structure of human Casein Kinase II subunit alpha (CK2a1) in complex with allosteric ligand FGC333 | | 分子名称: | 1,2-ETHANEDIOL, 5-[[2-[(3-chloranyl-4-phenyl-phenyl)methylamino]-7-azaspiro[3.5]nonan-7-yl]sulfonyl]-1,3-dimethyl-benzimidazol-2-one, Casein kinase II subunit alpha, ... | | 著者 | Kraemer, A, Greco, F, Knapp, S, Structural Genomics Consortium (SGC) | | 登録日 | 2024-03-20 | | 公開日 | 2024-05-01 | | 最終更新日 | 2024-08-07 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Synthesis and evaluation of chemical linchpins for highly selective CK2 alpha targeting.
Eur.J.Med.Chem., 276, 2024
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9EZ3
 | | Crystal structure of human CLK3 bound to RN129 | | 分子名称: | 1-(5-~{tert}-butyl-2-quinolin-6-yl-pyrazol-3-yl)-3-[3-(4-morpholin-4-yl-7~{H}-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]urea, Dual specificity protein kinase CLK3, SULFATE ION | | 著者 | Kraemer, A, Raig, N, Knapp, S. | | 登録日 | 2024-04-10 | | 公開日 | 2024-09-11 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Crystal structure of human CLK3 bound to RN129
To Be Published
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9FCL
 | | CysG(N-16) in complex with SAM from Kitasatospora cystarginea | | 分子名称: | 1,2-ETHANEDIOL, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Kuttenlochner, W, Beller, P, Kaysser, L, Groll, M. | | 登録日 | 2024-05-15 | | 公開日 | 2024-08-21 | | 最終更新日 | 2024-09-18 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | Deciphering the SAM- and metal-dependent mechanism of O-methyltransferases in cystargolide and belactosin biosynthesis: A structure-activity relationship study.
J.Biol.Chem., 300, 2024
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4OWD
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9EZG
 | | Crystal structure of human Casein Kinase II subunit alpha (CK2a1) in complex with 5-((4-((2-aminoethyl)(ethyl)amino)-3-(4H-1,2,4-triazol-4-yl)phenyl)amino)-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidine-3-carbonitrile | | 分子名称: | 1,2-ETHANEDIOL, 5-[[4-[2-azanylethyl(ethyl)amino]-3-(1,2,4-triazol-4-yl)phenyl]amino]-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidine-3-carbonitrile, Casein kinase II subunit alpha, ... | | 著者 | Kraemer, A, Ong, H.W, Yang, X, Brown, J.W, Chang, E, Willson, T, Knapp, S, Structural Genomics Consortium (SGC) | | 登録日 | 2024-04-12 | | 公開日 | 2024-07-31 | | 最終更新日 | 2024-08-07 | | 実験手法 | X-RAY DIFFRACTION (2.18 Å) | | 主引用文献 | More than an Amide Bioisostere: Discovery of 1,2,4-Triazole-containing Pyrazolo[1,5- a ]pyrimidine Host CSNK2 Inhibitors for Combatting beta-Coronavirus Replication.
J.Med.Chem., 67, 2024
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