8OUS
 
 | | CRYSTAL STRUCTURE OF DLK IN COMPLEX WITH COMPOUND 19 | | 分子名称: | (1S)-1-[4-[6-azanyl-5-(trifluoromethyloxy)pyridin-3-yl]-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]-2-methyl-propan-1-ol, Mitogen-activated protein kinase kinase kinase 12 | | 著者 | Zebisch, M, McEwan, P.A, Barker, J.J, Cross, J.B. | | 登録日 | 2023-04-24 | | 公開日 | 2023-07-26 | | 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 IACS-52825, a Potent and Selective DLK Inhibitor for Treatment of Chemotherapy-Induced Peripheral Neuropathy.
J.Med.Chem., 66, 2023
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6L93
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6U1H
 | | Thermus thermophilus D-alanine-D-alanine ligase in complex with ADP, phosphate, Mg2+ and K+ | | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, D-alanine--D-alanine ligase, MAGNESIUM ION, ... | | 著者 | Pederick, J.L, Bruning, J.B. | | 登録日 | 2019-08-15 | | 公開日 | 2020-05-06 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | d-Alanine-d-alanine ligase as a model for the activation of ATP-grasp enzymes by monovalent cations.
J.Biol.Chem., 295, 2020
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8P2A
 | | Crystal structure of SaFMN3 domain 2 | | 分子名称: | FLAVIN MONONUCLEOTIDE, FMN-binding domain-containing protein | | 著者 | Rozeboom, H.J, Fraaije, M.W. | | 登録日 | 2023-05-15 | | 公開日 | 2023-07-19 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Characterization of two bacterial multi-flavinylated proteins harboring multiple covalent flavin cofactors.
Bba Adv, 4, 2023
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6L6R
 | | Crystal structure of LRP6 E1E2-SOST complex | | 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, ACETATE ION, ... | | 著者 | Choi, H.-J, Kim, J. | | 登録日 | 2019-10-29 | | 公開日 | 2020-10-28 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (3.8 Å) | | 主引用文献 | Sclerostin inhibits Wnt signaling through tandem interaction with two LRP6 ectodomains.
Nat Commun, 11, 2020
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8OR1
 | | Co-crystal strucutre of PD-L1 with low molecular weight inhibitor | | 分子名称: | 5-[[5-[[2-chloranyl-3-(2-fluorophenyl)phenyl]methoxy]-2-[(~{E})-2-hydroxyethyliminomethyl]phenoxy]methyl]pyridine-3-carbonitrile, Programmed cell death 1 ligand 1 | | 著者 | Zhang, H, Zhou, S, Wu, C, Zhu, M, Yu, Q, Wang, X, Awadasseid, A, Plewka, J, Magiera-Mularz, K, Wu, Y, Zhang, W. | | 登録日 | 2023-04-12 | | 公開日 | 2023-08-02 | | 最終更新日 | 2023-08-23 | | 実験手法 | X-RAY DIFFRACTION (3.5 Å) | | 主引用文献 | Design, Synthesis, and Antitumor Activity Evaluation of 2-Arylmethoxy-4-(2,2'-dihalogen-substituted biphenyl-3-ylmethoxy) Benzylamine Derivatives as Potent PD-1/PD-L1 Inhibitors.
J.Med.Chem., 66, 2023
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6U8K
 | | Crystal structure of hepatitis C virus IRES junction IIIabc in complex with Fab HCV3 | | 分子名称: | Heavy chain of Fab HCV3, JIIIabc RNA (68-MER), Light chain of Fab HCV3 | | 著者 | Koirala, D, Lewicka, A, Koldobskaya, Y, Huang, H, Piccirilli, J.A. | | 登録日 | 2019-09-05 | | 公開日 | 2019-12-04 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.75 Å) | | 主引用文献 | Synthetic Antibody Binding to a Preorganized RNA Domain of Hepatitis C Virus Internal Ribosome Entry Site Inhibits Translation.
Acs Chem.Biol., 15, 2020
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7NPX
 | | Thioredoxin glutathione reductase from Schistosoma mansoni in complex with 3-(3-Methoxyquinoxalin-2-yl)propanoic acid at 24 hours of soaking | | 分子名称: | 3-(3-methoxyquinoxalin-2-yl)propanoic acid, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Fata, F, Silvestri, I, Williams, D.L, Angelucci, F. | | 登録日 | 2021-02-28 | | 公開日 | 2021-05-19 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Probing the Surface of a Parasite Drug Target Thioredoxin Glutathione Reductase Using Small Molecule Fragments.
Acs Infect Dis., 7, 2021
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8B3C
 | | Chalcone synthase from Hordeum vulgare complexed with CoA and eriodictyol | | 分子名称: | (2S)-2-(3,4-DIHYDROXYPHENYL)-5,7-DIHYDROXY-2,3-DIHYDRO-4H-CHROMEN-4-ONE, COENZYME A, Chalcone synthase 2 | | 著者 | Zhang, L, Groves, M.R. | | 登録日 | 2022-09-16 | | 公開日 | 2023-09-27 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Engineering a Plant Polyketide Synthase for the Biosynthesis of Methylated Flavonoids.
J.Agric.Food Chem., 72, 2024
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7UK6
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6L7T
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4Z3C
 | | Zinc finger region of human TET3 in complex with CpG DNA | | 分子名称: | DNA (5'-D(*GP*CP*CP*AP*AP*CP*GP*TP*TP*GP*GP*C)-3'), Methylcytosine dioxygenase, UNKNOWN ATOM OR ION, ... | | 著者 | Liu, K, Xu, C, Tempel, W, Dong, A, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | | 登録日 | 2015-03-31 | | 公開日 | 2015-04-29 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.57 Å) | | 主引用文献 | DNA Sequence Recognition of Human CXXC Domains and Their Structural Determinants.
Structure, 2017
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6OH9
 | | Yeast Guanine Deaminase | | 分子名称: | NONAETHYLENE GLYCOL, SULFATE ION, Yeast Guanine Deaminase, ... | | 著者 | Shek, R.S, French, J.B. | | 登録日 | 2019-04-05 | | 公開日 | 2019-07-24 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | Structural Determinants for Substrate Selectivity in Guanine Deaminase Enzymes of the Amidohydrolase Superfamily.
Biochemistry, 58, 2019
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7UK8
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4Z17
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8B5D
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8OUR
 | | CRYSTAL STRUCTURE OF DLK IN COMPLEX WITH COMPOUND 16 | | 分子名称: | 5-[1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)-2-propan-2-yl-imidazol-4-yl]-3-(trifluoromethyloxy)pyridin-2-amine, Mitogen-activated protein kinase kinase kinase 12 | | 著者 | Zebisch, M, McEwan, P.A, Barker, J.J, Cross, J.B. | | 登録日 | 2023-04-24 | | 公開日 | 2023-07-26 | | 最終更新日 | 2024-06-19 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Discovery of IACS-52825, a Potent and Selective DLK Inhibitor for Treatment of Chemotherapy-Induced Peripheral Neuropathy.
J.Med.Chem., 66, 2023
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4Z3L
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8B5E
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6O8L
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7UVA
 | | Crystal structure of KDM2A histone demethylase catalytic domain in complex with an H3C36 peptide modified by UNC8015 | | 分子名称: | FE (III) ION, Histone H3.2, Lysine-specific demethylase 2A, ... | | 著者 | Budziszewski, G.R, Azzam, D.N, Spangler, C.J, Skrajna, A, Foley, C.A, James, L.I, Frye, S.V, McGinty, R.K. | | 登録日 | 2022-04-29 | | 公開日 | 2023-02-22 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (1.98 Å) | | 主引用文献 | Structural basis of paralog-specific KDM2A/B nucleosome recognition.
Nat.Chem.Biol., 19, 2023
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6OHP
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6LCE
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5ZSL
 | | Crystal structure of monkey TLR7 in complex with GGUUGG | | 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, 2-amino-9-[(2S,3aR,4R,6R,6aR)-2-hydroxy-6-(hydroxymethyl)-2-oxotetrahydro-2H-2lambda~5~-furo[3,4-d][1,3,2]dioxaphosphol-4-yl]-3,9-dihydro-6H-purin-6-one, ... | | 著者 | Zhang, Z, Ohto, U, Shimizu, T. | | 登録日 | 2018-04-28 | | 公開日 | 2019-01-30 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Structural Analyses of Toll-like Receptor 7 Reveal Detailed RNA Sequence Specificity and Recognition Mechanism of Agonistic Ligands.
Cell Rep, 25, 2018
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8P01
 | | Crystal structure of human STING ectodomain in complex with BI 7446, a potent cyclic dinucleotide STING agonist with broad-spectrum variant activity for the treatment of cancer | | 分子名称: | 3-[(1~{R},3~{R},6~{R},8~{R},9~{R},10~{R},12~{R},15~{R},17~{R},18~{R})-8-(6-aminopurin-9-yl)-9-fluoranyl-18-oxidanyl-3,12-bis(oxidanylidene)-3,12-bis(sulfanyl)-2,4,7,11,13,16-hexaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.2.1.0^{6,10}]octadecan-17-yl]-6~{H}-imidazo[4,5-d]pyridazin-7-one, Stimulator of interferon genes protein | | 著者 | Nar, H. | | 登録日 | 2023-05-09 | | 公開日 | 2023-07-26 | | 最終更新日 | 2024-06-19 | | 実験手法 | X-RAY DIFFRACTION (2.094 Å) | | 主引用文献 | Discovery of BI 7446: A Potent Cyclic Dinucleotide STING Agonist with Broad-Spectrum Variant Activity for the Treatment of Cancer.
J.Med.Chem., 66, 2023
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