7U9S
 
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7U9U
 | | Crystal structure of human D-amino acid oxidase in complex with inhibitor | | 分子名称: | (3R)-3-(5,6-dioxo-1,4,5,6-tetrahydropyrazin-2-yl)-2,3-dihydro-1,4-benzoxathiine-7-carbonitrile, BENZOIC ACID, D-amino-acid oxidase, ... | | 著者 | Skene, R.J, Bell, J.A. | | 登録日 | 2022-03-11 | | 公開日 | 2022-06-08 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.66 Å) | | 主引用文献 | Discovery of a Novel Class of d-Amino Acid Oxidase Inhibitors Using the Schrodinger Computational Platform.
J.Med.Chem., 65, 2022
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2IDR
 | | Crystal structure of translation initiation factor EIF4E from wheat | | 分子名称: | Eukaryotic translation initiation factor 4E-1 | | 著者 | Monzingo, A.F, Sadow, J, Dhaliwal, S, Lyon, A, Hoffman, D.W, Robertus, J.D, Browning, K.S. | | 登録日 | 2006-09-15 | | 公開日 | 2007-06-12 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | The structure of eukaryotic translation initiation factor-4E from wheat reveals a novel disulfide bond.
Plant Physiol., 143, 2007
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7TZU
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7TZS
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7TZT
 | | Crystal structure of the E. coli thiM riboswitch in complex with N1,N1-dimethyl-N2-(quinoxalin-6-ylmethyl)ethane-1,2-diamine (linked compound 37) | | 分子名称: | 6-methylquinoxaline, MAGNESIUM ION, MANGANESE (II) ION, ... | | 著者 | Nuthanakanti, A, Serganov, A. | | 登録日 | 2022-02-16 | | 公開日 | 2022-05-25 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.96 Å) | | 主引用文献 | SHAPE-enabled fragment-based ligand discovery for RNA.
Proc.Natl.Acad.Sci.USA, 119, 2022
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7TZR
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1BZW
 | | PEANUT LECTIN COMPLEXED WITH C-LACTOSE | | 分子名称: | CALCIUM ION, MANGANESE (II) ION, PROTEIN (PEANUT LECTIN), ... | | 著者 | Ravishankar, R, Surolia, A, Vijayan, M, Lim, S, Kishi, Y. | | 登録日 | 1998-11-05 | | 公開日 | 1998-11-11 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Preferred Conformation of C-Lactose at the Free and Peanut Lectin Bound States
J.Am.Chem.Soc., 120, 1998
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5GMJ
 | | Crystal Structure of GRASP55 GRASP domain in complex with JAM-B C-terminus | | 分子名称: | Golgi reassembly-stacking protein 2, Junctional adhesion molecule B | | 著者 | Shi, N, Shi, X, Morelli, X, Betzi, S, Huang, X. | | 登録日 | 2016-07-14 | | 公開日 | 2017-05-24 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.986 Å) | | 主引用文献 | Genetic, structural, and chemical insights into the dual function of GRASP55 in germ cell Golgi remodeling and JAM-C polarized localization during spermatogenesis
PLoS Genet., 13, 2017
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5GMI
 | | Crystal Structure of GRASP55 GRASP domain in complex with JAM-C C-terminus | | 分子名称: | Golgi reassembly-stacking protein 2, Junctional adhesion molecule C | | 著者 | Shi, N, Shi, X, Morelli, X, Betzi, S, Huang, X. | | 登録日 | 2016-07-14 | | 公開日 | 2017-05-24 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.71 Å) | | 主引用文献 | Genetic, structural, and chemical insights into the dual function of GRASP55 in germ cell Golgi remodeling and JAM-C polarized localization during spermatogenesis
PLoS Genet., 13, 2017
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6IX6
 | | Crystal structure of the complex of peptidyl-tRNA hydrolase with N-propanol at 1.43 A resolution | | 分子名称: | N-PROPANOL, Peptidyl-tRNA hydrolase | | 著者 | Viswanathan, V, Sharma, P, Chaudhary, A, Sharma, S, Singh, T.P. | | 登録日 | 2018-12-09 | | 公開日 | 2018-12-26 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.43 Å) | | 主引用文献 | Crystal structure of the complex of peptidyl-tRNA hydrolase with N-propanol at 1.43 A resolution
To Be Published
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6IYE
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6N0Q
 | | BRAF in complex with N-(4-methyl-3-(1-methyl-2-oxo-2,3-dihydro-1H-benzo[d]imidazol-5-yl)phenyl)-3-(trifluoromethyl)benzamide. | | 分子名称: | N-[4-methyl-3-(1-methyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)phenyl]-3-(trifluoromethyl)benzamide, Serine/threonine-protein kinase B-raf | | 著者 | Mamo, M, Appleton, B.A. | | 登録日 | 2018-11-07 | | 公開日 | 2019-10-23 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (2.04 Å) | | 主引用文献 | Design and Discovery ofN-(3-(2-(2-Hydroxyethoxy)-6-morpholinopyridin-4-yl)-4-methylphenyl)-2-(trifluoromethyl)isonicotinamide, a Selective, Efficacious, and Well-Tolerated RAF Inhibitor Targeting RAS Mutant Cancers: The Path to the Clinic.
J.Med.Chem., 63, 2020
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6N0P
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4X3E
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4GDN
 | | Structure of FmtA-like protein | | 分子名称: | 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, Protein flp | | 著者 | Cougnoux, A, Gibold, L, Delmas, J, Robin, F, Dalmasso, G, Bonnet, R. | | 登録日 | 2012-08-01 | | 公開日 | 2012-10-03 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | | 主引用文献 | Analysis of Structure-Function Relationships in the Colibactin-Maturating Enzyme ClbP.
J.Mol.Biol., 424, 2012
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8OG5
 | | Crystal structure of human DCAF1 WD40 repeats (Q1250L) in complex with compound 1 | | 分子名称: | 1,2-ETHANEDIOL, 5-(2-fluorophenyl)-2,3-dihydroimidazo[2,1-a]isoquinoline, ACETATE ION, ... | | 著者 | Schroeder, M, Vulpetti, A, Renatus, M. | | 登録日 | 2023-03-19 | | 公開日 | 2023-06-14 | | 最終更新日 | 2024-06-19 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Discovery of New Binders for DCAF1, an Emerging Ligase Target in the Targeted Protein Degradation Field.
Acs Med.Chem.Lett., 14, 2023
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8OG6
 | | Crystal structure of human DCAF1 WD40 repeats (Q1250L) in complex with compound 1 | | 分子名称: | 5-(2-fluorophenyl)-2,3-dihydroimidazo[2,1-a]isoquinoline, ACETATE ION, DDB1- and CUL4-associated factor 1 | | 著者 | Schroeder, M, Vulpetti, A, Renatus, M. | | 登録日 | 2023-03-19 | | 公開日 | 2023-06-14 | | 最終更新日 | 2024-06-19 | | 実験手法 | X-RAY DIFFRACTION (2.245 Å) | | 主引用文献 | Discovery of New Binders for DCAF1, an Emerging Ligase Target in the Targeted Protein Degradation Field.
Acs Med.Chem.Lett., 14, 2023
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8OG8
 | | Crystal structure of human DCAF1 WD40 repeats (Q1250L) in complex with compound 3 | | 分子名称: | 1,2-ETHANEDIOL, 5-(2-methyl-1-phenyl-propan-2-yl)imidazo[2,1-a]isoquinoline, ACETATE ION, ... | | 著者 | Schroeder, M, Vulpetti, A, Renatus, M. | | 登録日 | 2023-03-19 | | 公開日 | 2023-06-14 | | 最終更新日 | 2024-06-19 | | 実験手法 | X-RAY DIFFRACTION (2.11 Å) | | 主引用文献 | Discovery of New Binders for DCAF1, an Emerging Ligase Target in the Targeted Protein Degradation Field.
Acs Med.Chem.Lett., 14, 2023
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8OGC
 | | Crystal structure of human DCAF1 WD40 repeats (Q1250L) in complex with compound 11 | | 分子名称: | 1,2-ETHANEDIOL, 1-[4-[4-(2-azanylethylamino)-2-[1-(4-chlorophenyl)cyclopentyl]quinazolin-7-yl]piperazin-1-yl]ethanone, ACETATE ION, ... | | 著者 | Schroeder, M, Vulpetti, A, Renatus, M. | | 登録日 | 2023-03-19 | | 公開日 | 2023-06-14 | | 最終更新日 | 2024-06-19 | | 実験手法 | X-RAY DIFFRACTION (2.09 Å) | | 主引用文献 | Discovery of New Binders for DCAF1, an Emerging Ligase Target in the Targeted Protein Degradation Field.
Acs Med.Chem.Lett., 14, 2023
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8OG9
 | | Crystal structure of human DCAF1 WD40 repeats (Q1250L) in complex with compound 4 | | 分子名称: | 5-[1-(4-chlorophenyl)cyclopropyl]imidazo[2,1-a]isoquinoline, DDB1- and CUL4-associated factor 1 | | 著者 | Schroeder, M, Vulpetti, A, Renatus, M. | | 登録日 | 2023-03-19 | | 公開日 | 2023-06-14 | | 最終更新日 | 2024-06-19 | | 実験手法 | X-RAY DIFFRACTION (2.945 Å) | | 主引用文献 | Discovery of New Binders for DCAF1, an Emerging Ligase Target in the Targeted Protein Degradation Field.
Acs Med.Chem.Lett., 14, 2023
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8OG7
 | | Crystal structure of human DCAF1 WD40 repeats (Q1250L) in complex with compound 2 | | 分子名称: | (4~{R})-4-[3-(4-chloranylphenoxy)phenyl]pyrrolidin-2-imine, 1,2-ETHANEDIOL, ACETATE ION, ... | | 著者 | Schroeder, M, Vulpetti, A, Renatus, M. | | 登録日 | 2023-03-19 | | 公開日 | 2023-06-14 | | 最終更新日 | 2024-06-19 | | 実験手法 | X-RAY DIFFRACTION (2.64 Å) | | 主引用文献 | Discovery of New Binders for DCAF1, an Emerging Ligase Target in the Targeted Protein Degradation Field.
Acs Med.Chem.Lett., 14, 2023
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8OGB
 | | Crystal structure of human DCAF1 WD40 repeats (Q1250L) in complex with compound 8 | | 分子名称: | 1,2-ETHANEDIOL, DDB1- and CUL4-associated factor 1, DIMETHYL SULFOXIDE, ... | | 著者 | Schroeder, M, Vulpetti, A, Renatus, M. | | 登録日 | 2023-03-19 | | 公開日 | 2023-06-14 | | 最終更新日 | 2024-06-19 | | 実験手法 | X-RAY DIFFRACTION (2.27 Å) | | 主引用文献 | Discovery of New Binders for DCAF1, an Emerging Ligase Target in the Targeted Protein Degradation Field.
Acs Med.Chem.Lett., 14, 2023
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8OGA
 | | Crystal structure of human DCAF1 WD40 repeats (Q1250L) in complex with compound 6 | | 分子名称: | 1,2-ETHANEDIOL, 5-[1-(4-methoxyphenyl)cyclopropyl]-8-(4-methylpiperazin-1-yl)-2,3-dihydroimidazo[2,1-a]isoquinoline, DDB1- and CUL4-associated factor 1, ... | | 著者 | Schroeder, M, Vulpetti, A, Renatus, M. | | 登録日 | 2023-03-19 | | 公開日 | 2023-06-14 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Discovery of New Binders for DCAF1, an Emerging Ligase Target in the Targeted Protein Degradation Field.
Acs Med.Chem.Lett., 14, 2023
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7F8T
 | | Re-refinement of the 2XRY X-ray structure of archaeal class II CPD photolyase from Methanosarcina mazei | | 分子名称: | Deoxyribodipyrimidine photolyase, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ... | | 著者 | Maestre-Reyna, M, Yang, C.-H, Huang, W.C, Nango, E, Gusti-Ngurah-Putu, E.-P, Franz-Badur, S, Wu, W.-J, Wu, H.-Y, Wang, P.-H, Liao, J.-H, Lee, C.-C, Huang, K.-F, Chang, Y.-K, Weng, J.-H, Sugahara, M, Owada, S, Joti, Y, Tanaka, R, Tono, K, Kiontke, S, Yamamoto, J, Iwata, S, Essen, L.-O, Bessho, Y, Tsai, M.-D. | | 登録日 | 2021-07-02 | | 公開日 | 2022-03-09 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Serial crystallography captures dynamic control of sequential electron and proton transfer events in a flavoenzyme.
Nat.Chem., 14, 2022
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