5JFO
 
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6WXN
 | | EGFR(T790M/V948R) in complex with LN3844 | | 分子名称: | CHLORIDE ION, Epidermal growth factor receptor, MAGNESIUM ION, ... | | 著者 | Heppner, D.E, Eck, M.J. | | 登録日 | 2020-05-11 | | 公開日 | 2021-05-19 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.76 Å) | | 主引用文献 | Design of a "Two-in-One" Mutant-Selective Epidermal Growth Factor Receptor Inhibitor That Spans the Orthosteric and Allosteric Sites.
J.Med.Chem., 65, 2022
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6XDG
 | | Complex of SARS-CoV-2 receptor binding domain with the Fab fragments of two neutralizing antibodies | | 分子名称: | REGN10933 antibody Fab fragment heavy chain, REGN10933 antibody Fab fragment light chain, REGN10987 antibody Fab fragment heavy chain, ... | | 著者 | Franklin, M.C, Saotome, K, Romero Hernandez, A, Zhou, Y. | | 登録日 | 2020-06-10 | | 公開日 | 2020-06-24 | | 最終更新日 | 2021-01-27 | | 実験手法 | ELECTRON MICROSCOPY (3.9 Å) | | 主引用文献 | Studies in humanized mice and convalescent humans yield a SARS-CoV-2 antibody cocktail.
Science, 369, 2020
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7U61
 | | Crystal Structure of Anti-Nicotine Antibody NIC311 Fab Complexed with Nicotine | | 分子名称: | (S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE, NIC311 Fab Heavy Chain, NIC311 Fab Light Chain, ... | | 著者 | Rodarte, J.V, Pancera, M.P, Liban, T.L. | | 登録日 | 2022-03-03 | | 公開日 | 2023-01-11 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Structures of drug-specific monoclonal antibodies bound to opioids and nicotine reveal a common mode of binding.
Structure, 31, 2023
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6XJK
 | | JAK2 JH2 in complex with JAK067 | | 分子名称: | 4-({4-amino-6-[(1H-indol-5-yl)oxy]-1,3,5-triazin-2-yl}amino)benzene-1-sulfonamide, Tyrosine-protein kinase JAK2 | | 著者 | Puleo, D.E, Krimmer, S.G, Newton, A.S, Schlessinger, J, Jorgensen, W.L. | | 登録日 | 2020-06-24 | | 公開日 | 2020-11-25 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.023508 Å) | | 主引用文献 | Explicit Representation of Cation-pi Interactions in Force Fields with 1/r4 Nonbonded Terms.
J Chem Theory Comput, 16, 2020
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7U62
 | | Crystal structure of Anti-Heroin Antibody HY4-1F9 Fab Complexed with Morphine | | 分子名称: | (7R,7AS,12BS)-3-METHYL-2,3,4,4A,7,7A-HEXAHYDRO-1H-4,12-METHANO[1]BENZOFURO[3,2-E]ISOQUINOLINE-7,9-DIOL, ACETATE ION, HY4-1F9 Fab Heavy Chain, ... | | 著者 | Rodarte, J.V, Pancera, M.P. | | 登録日 | 2022-03-03 | | 公開日 | 2023-01-11 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (1.82 Å) | | 主引用文献 | Structures of drug-specific monoclonal antibodies bound to opioids and nicotine reveal a common mode of binding.
Structure, 31, 2023
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7U63
 | | Crystal Structure Anti-Oxycodone Antibody HY2-A12 Fab Complexed with Oxycodone | | 分子名称: | 14-hydroxy-3-methoxy-17-methyl-5beta-4,5-epoxymorphinan-6-one, HY2-A12 Fab Heavy Chain, HY2-A12 Fab Light Chain | | 著者 | Rodarte, J.V, Pancera, M.P, Weidle, C, Rupert, P.B, Strong, R.K. | | 登録日 | 2022-03-03 | | 公開日 | 2023-01-11 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Structures of drug-specific monoclonal antibodies bound to opioids and nicotine reveal a common mode of binding.
Structure, 31, 2023
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7U64
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5GKA
 | | cryo-EM structure of human Aichi virus | | 分子名称: | Genome polyprotein, capsid protein VP0, capsid protein VP1 | | 著者 | Zhu, L, Wang, X.X, Ren, J.S, Tuthill, T.J, Fry, E.E, Rao, Z.H, Stuart, D.I. | | 登録日 | 2016-07-04 | | 公開日 | 2016-09-21 | | 最終更新日 | 2024-03-27 | | 実験手法 | ELECTRON MICROSCOPY (3.7 Å) | | 主引用文献 | Structure of human Aichi virus and implications for receptor binding
Nat Microbiol, 1, 2016
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5FNV
 | | a new complex structure of tubulin with an alpha-beta unsaturated lactone | | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, ... | | 著者 | Wang, Y, Naismith, J, Zhu, X. | | 登録日 | 2015-11-16 | | 公開日 | 2016-05-18 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.61 Å) | | 主引用文献 | Pironetin Reacts Covalently with Cysteine-316 of Alpha-Tubulin to Destabilize Microtubule.
Nat.Commun., 7, 2016
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1FDO
 | | OXIDIZED FORM OF FORMATE DEHYDROGENASE H FROM E. COLI | | 分子名称: | 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE, FORMATE DEHYDROGENASE H, IRON/SULFUR CLUSTER, ... | | 著者 | Sun, P.D, Boyington, J.C. | | 登録日 | 1997-01-27 | | 公開日 | 1997-08-20 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Crystal structure of formate dehydrogenase H: catalysis involving Mo, molybdopterin, selenocysteine, and an Fe4S4 cluster.
Science, 275, 1997
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5JUR
 | | PB2 bound to an azaindole inhibitor | | 分子名称: | (3~{R})-3-[[5-fluoranyl-2-(5-fluoranyl-1~{H}-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-4,4-dimethyl-pentanoic acid, Polymerase basic protein 2 | | 著者 | Jacobs, M.D. | | 登録日 | 2016-05-10 | | 公開日 | 2017-03-01 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.93 Å) | | 主引用文献 | Discovery of Novel, Orally Bioavailable beta-Amino Acid Azaindole Inhibitors of Influenza PB2.
ACS Med Chem Lett, 8, 2017
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5EN2
 | | Molecular basis for antibody-mediated neutralization of New World hemorrhagic fever mammarenaviruses | | 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, CHLORIDE ION, ... | | 著者 | Mahmutovic, S, Clark, L, Levis, S, Briggiler, A, Enria, D, Harrison, S.C, Abraham, J. | | 登録日 | 2015-11-09 | | 公開日 | 2015-12-30 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.821 Å) | | 主引用文献 | Molecular Basis for Antibody-Mediated Neutralization of New World Hemorrhagic Fever Mammarenaviruses.
Cell Host Microbe, 18, 2015
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2WJ7
 | | human alphaB crystallin | | 分子名称: | ALPHA-CRYSTALLIN B CHAIN | | 著者 | Naylor, C.E, Bagneris, C, Bateman, O.A, Cronin, N, Keep, N.H, Slingsby, C. | | 登録日 | 2009-05-22 | | 公開日 | 2009-08-11 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2.631 Å) | | 主引用文献 | Crystal Structures of Alpha-Crystallin Domain Dimers of Alphab-Crystallin and Hsp20.
J.Mol.Biol., 392, 2009
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7URF
 | | Human HHAT H379C in complex with SHH N-terminal peptide | | 分子名称: | 3H02 heavy chain, 3H02 light chain, Digitonin, ... | | 著者 | Liu, Y, Qi, X, Li, X. | | 登録日 | 2022-04-21 | | 公開日 | 2022-07-20 | | 最終更新日 | 2022-08-10 | | 実験手法 | ELECTRON MICROSCOPY (2.8 Å) | | 主引用文献 | Mechanisms and inhibition of Porcupine-mediated Wnt acylation.
Nature, 607, 2022
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7URE
 | | Human PORCN in complex with palmitoleoylated WNT3A peptide | | 分子名称: | 2C11 heavy chain, 2C11 light chain, Digitonin, ... | | 著者 | Liu, Y, Qi, X, Li, X. | | 登録日 | 2022-04-21 | | 公開日 | 2022-07-20 | | 最終更新日 | 2022-08-10 | | 実験手法 | ELECTRON MICROSCOPY (3.19 Å) | | 主引用文献 | Mechanisms and inhibition of Porcupine-mediated Wnt acylation.
Nature, 607, 2022
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7URA
 | | Human PORCN in complex with Palmitoleoyl-CoA | | 分子名称: | 2C11 heavy chain, 2C11 light chain, CHOLESTEROL, ... | | 著者 | Liu, Y, Qi, X, Li, X. | | 登録日 | 2022-04-21 | | 公開日 | 2022-07-20 | | 最終更新日 | 2022-08-10 | | 実験手法 | ELECTRON MICROSCOPY (3.11 Å) | | 主引用文献 | Mechanisms and inhibition of Porcupine-mediated Wnt acylation.
Nature, 607, 2022
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7URD
 | | Human PORCN in complex with LGK974 and WNT3A peptide | | 分子名称: | 2-[(2P)-2',3-dimethyl[2,4'-bipyridin]-5-yl]-N-[(5P)-5-(pyrazin-2-yl)pyridin-2-yl]acetamide, 2C11 heavy chain, 2C11 light chain, ... | | 著者 | Liu, Y, Qi, X, Li, X. | | 登録日 | 2022-04-21 | | 公開日 | 2022-07-20 | | 最終更新日 | 2022-08-10 | | 実験手法 | ELECTRON MICROSCOPY (2.92 Å) | | 主引用文献 | Mechanisms and inhibition of Porcupine-mediated Wnt acylation.
Nature, 607, 2022
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7URC
 | | Human PORCN in complex with LGK974 | | 分子名称: | 2-[(2P)-2',3-dimethyl[2,4'-bipyridin]-5-yl]-N-[(5P)-5-(pyrazin-2-yl)pyridin-2-yl]acetamide, 2C11 heavy chain, 2C11 light chain, ... | | 著者 | Liu, Y, Qi, X, Li, X. | | 登録日 | 2022-04-21 | | 公開日 | 2022-07-20 | | 最終更新日 | 2022-08-10 | | 実験手法 | ELECTRON MICROSCOPY (3.14 Å) | | 主引用文献 | Mechanisms and inhibition of Porcupine-mediated Wnt acylation.
Nature, 607, 2022
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5H4J
 | | Crystal structure of Human dUTPase in complex with N-[(1R)-1-[3-(Cyclopentyloxy)-phenyl]-ethyl]-3-[(3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinyl)methoxy]-1-propanesulfonamide | | 分子名称: | DIMETHYL SULFOXIDE, Deoxyuridine 5'-triphosphate nucleotidohydrolase, mitochondrial, ... | | 著者 | Chong, K.T, Miyahara, S, Miyakoshi, H, Fukuoka, M. | | 登録日 | 2016-11-01 | | 公開日 | 2017-11-01 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | TAS-114, a First-in-Class Dual dUTPase/DPD Inhibitor, Demonstrates Potential to Improve Therapeutic Efficacy of Fluoropyrimidine-Based Chemotherapy.
Mol. Cancer Ther., 17, 2018
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6XVF
 | | Crystal structure of bovine cytochrome bc1 in complex with tetrahydro-quinolone inhibitor JAG021 | | 分子名称: | 1,2-DIHEXANOYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE, 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, ... | | 著者 | Amporndanai, K, Hasnain, S.S, Antonyuk, S.V. | | 登録日 | 2020-01-21 | | 公開日 | 2020-07-22 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (3.5 Å) | | 主引用文献 | Potent Tetrahydroquinolone Eliminates Apicomplexan Parasites.
Front Cell Infect Microbiol, 10, 2020
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7V1U
 | | Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor ZJ12 | | 分子名称: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, ~{N}-(3-ethyl-6-methoxy-1,2-benzoxazol-5-yl)-2-methoxy-benzenesulfonamide | | 著者 | Zhang, M, Wang, C, Zhang, C, Zhang, Y, Xu, Y. | | 登録日 | 2021-08-06 | | 公開日 | 2022-08-10 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.82 Å) | | 主引用文献 | Design, synthesis and pharmacological characterization of N-(3-ethylbenzo[d]isoxazol-5-yl) sulfonamide derivatives as BRD4 inhibitors against acute myeloid leukemia.
Acta Pharmacol.Sin., 43, 2022
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5JUN
 | | PB2 bound to an azaindole inhibitor | | 分子名称: | (3~{R})-3-[[5-fluoranyl-2-(5-fluoranyl-1~{H}-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-3-(1-methylcyclobutyl)propanoic acid, Polymerase basic protein 2 | | 著者 | Jacobs, M.D. | | 登録日 | 2016-05-10 | | 公開日 | 2017-05-17 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.69 Å) | | 主引用文献 | Discovery of Novel, Orally Bioavailable beta-Amino Acid Azaindole Inhibitors of Influenza PB2.
ACS Med Chem Lett, 8, 2017
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7V2J
 | | Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor 33 | | 分子名称: | Bromodomain-containing protein 4, ~{N}-(3-ethyl-6-methoxy-1,2-benzoxazol-5-yl)-4-methoxy-benzenesulfonamide | | 著者 | Zhang, M, Wang, C, Zhang, C, Zhang, Y, Xu, Y. | | 登録日 | 2021-08-09 | | 公開日 | 2022-08-17 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.24 Å) | | 主引用文献 | Design, synthesis and pharmacological characterization of N-(3-ethylbenzo[d]isoxazol-5-yl) sulfonamide derivatives as BRD4 inhibitors against acute myeloid leukemia.
Acta Pharmacol.Sin., 43, 2022
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6ZOV
 | | ENTEROPEPTIDASE IN COMPLEX WITH COMPOUND 6 | | 分子名称: | 1,2-ETHANEDIOL, 4-carbamimidamidobenzoic acid, Enteropeptidase, ... | | 著者 | Cummings, M.D. | | 登録日 | 2020-07-07 | | 公開日 | 2020-10-21 | | 最終更新日 | 2024-07-03 | | 実験手法 | X-RAY DIFFRACTION (2.19 Å) | | 主引用文献 | Targeting Enteropeptidase with Reversible Covalent Inhibitors To Achieve Metabolic Benefits.
J.Pharmacol.Exp.Ther., 375, 2020
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