6L96
| Structure of PPARalpha-LBD/pemafibrate/SRC1 peptide | 分子名称: | (2~{R})-2-[3-[[1,3-benzoxazol-2-yl-[3-(4-methoxyphenoxy)propyl]amino]methyl]phenoxy]butanoic acid, Peroxisome proliferator-activated receptor alpha, SRC1 coactivator peptide | 著者 | Kawasaki, M, Kambe, A, Yamamoto, Y, Arulmozhira, S, Ito, S, Nakagawa, Y, Tokiwa, H, Nakano, S, Shimano, H. | 登録日 | 2019-11-08 | 公開日 | 2020-01-15 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | 主引用文献 | Elucidation of Molecular Mechanism of a Selective PPAR alpha Modulator, Pemafibrate, through Combinational Approaches of X-ray Crystallography, Thermodynamic Analysis, and First-Principle Calculations. Int J Mol Sci, 21, 2020
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7EU5
| Co-crystal structure of Human Nicotinamide N-methyltransferase (NNMT) with tricyclic small molecule inhibitor JBSNF-000107 | 分子名称: | 6-fluoranyl-10-methyl-1,10-diazatricyclo[6.3.1.0^{4,12}]dodeca-4,6,8(12)-trien-11-imine, Nicotinamide N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE | 著者 | Swaminathan, S, Gosu, R, Birudukota, S, Kandan, S, Vaithilingam, K. | 登録日 | 2021-05-16 | 公開日 | 2022-05-18 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.731 Å) | 主引用文献 | Novel tricyclic small molecule inhibitors of Nicotinamide N-methyltransferase for the treatment of metabolic disorders. Sci Rep, 12, 2022
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7ET7
| Co-crystal structure of Human Nicotinamide N-methyltransferase (NNMT) with tricyclic small molecule inhibitor JBSNF-000028 | 分子名称: | 10-methyl-1,10-diazatricyclo[6.3.1.0^{4,12}]dodeca-4,6,8(12)-trien-11-imine, Nicotinamide N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE | 著者 | Swaminathan, S, Gosu, R, Birudukota, S, Kandan, S, Vaithilingam, K. | 登録日 | 2021-05-12 | 公開日 | 2022-05-18 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.61 Å) | 主引用文献 | Novel tricyclic small molecule inhibitors of Nicotinamide N-methyltransferase for the treatment of metabolic disorders. Sci Rep, 12, 2022
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6D3W
| Chromosomal trehalose-6-phosphate phosphatase from P. aeruginosa | 分子名称: | 1,2-ETHANEDIOL, ACETIC ACID, CALCIUM ION, ... | 著者 | Hofmann, A, Cross, M, Park, S.-Y. | 登録日 | 2018-04-17 | 公開日 | 2018-05-09 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Trehalose 6-phosphate phosphatases of Pseudomonas aeruginosa. FASEB J., 32, 2018
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6UKM
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6UKU
| STING C-terminal Domain Complexed with Non-cyclic Dinucleotide Compound 3 | 分子名称: | 4,4'-[propane-1,3-diylbis(6-methoxy-1-benzothiene-5,2-diyl)]bis(4-oxobutanoic acid), fusion protein of Ubiquitin-like protein SMT3 and Stimulator of interferon protein c-terminal domain | 著者 | Lesburg, C.A. | 登録日 | 2019-10-06 | 公開日 | 2020-08-19 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.68 Å) | 主引用文献 | An orally available non-nucleotide STING agonist with antitumor activity. Science, 369, 2020
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6UL0
| STING C-terminal Domain Complexed with Non-cyclic Dinucleotide Compound 4 | 分子名称: | 4-{5-[(1Z)-3-{[2-(3-carboxypropanoyl)-6-methoxy-1-benzothiophen-5-yl]oxy}prop-1-en-1-yl]-6-methoxy-1-benzothiophen-2-yl}-4-oxobutanoic acid, fusion protein of Ubiquitin-like protein SMT3 and Stimulator of interferon protein c-terminal domain | 著者 | Lesburg, C.A. | 登録日 | 2019-10-06 | 公開日 | 2020-08-19 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.76 Å) | 主引用文献 | An orally available non-nucleotide STING agonist with antitumor activity. Science, 369, 2020
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6UKV
| STING C-terminal Domain Complexed with Non-cyclic Dinucleotide Compound 9 | 分子名称: | 4-[6-(3-{[2-(3-carboxypropanoyl)-6-methoxy-1-benzothiophen-5-yl]oxy}propoxy)-5-methoxy-1-benzothiophen-2-yl]-4-oxobutanoic acid, fusion protein of Ubiquitin-like protein SMT3 and Stimulator of interferon protein c-terminal domain | 著者 | Lesburg, C.A. | 登録日 | 2019-10-06 | 公開日 | 2020-08-19 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.83 Å) | 主引用文献 | An orally available non-nucleotide STING agonist with antitumor activity. Science, 369, 2020
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7CZ9
| Crystal structure of multidrug efflux transporter OqxB from Klebsiella pneumoniae | 分子名称: | DODECYL-BETA-D-MALTOSIDE, Efflux pump membrane transporter, GLYCEROL, ... | 著者 | Murakami, S, Okada, U, Yamashita, E. | 登録日 | 2020-09-07 | 公開日 | 2021-09-22 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Structure and function relationship of OqxB efflux pump from Klebsiella pneumoniae. Nat Commun, 12, 2021
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7NBJ
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7NBQ
| Co-crystal structure of Human Nicotinamide N-methyltransferase (NNMT) with the tricyclic inhibitor (4) | 分子名称: | 2-methyl-1,2,6,7-tetrahydro-3H,5H-pyrido[3,2,1-ij]quinazolin-3-imine, Nicotinamide N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE | 著者 | Schreuder, H.A, Liesum, A. | 登録日 | 2021-01-27 | 公開日 | 2021-03-17 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.479 Å) | 主引用文献 | Novel Inhibitors of Nicotinamide- N -Methyltransferase for the Treatment of Metabolic Disorders. Molecules, 26, 2021
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7NBM
| Co-crystal structure of Human Nicotinamide N-methyltransferase (NNMT) with the bisubstrate-like inhibitor (33) | 分子名称: | (E)-3-((5,6-dihydro-2H,4H-thiazolo[5,4,3-ij]quinolin-2-ylidene)amino)-2-hydroxy-1-(4-(isoquinolin-5-yl)piperazin-1-yl)-2-methylpropan-1-one, Nicotinamide N-methyltransferase | 著者 | Schreuder, H.A, Liesum, A. | 登録日 | 2021-01-27 | 公開日 | 2021-03-17 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.691 Å) | 主引用文献 | Novel Inhibitors of Nicotinamide- N -Methyltransferase for the Treatment of Metabolic Disorders. Molecules, 26, 2021
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6UKX
| STING C-terminal Domain Complexed with Non-cyclic Dinucleotide Compound 11 | 分子名称: | 4,4'-{propane-1,3-diylbis[oxy(5-methoxy-1-benzothiene-6,2-diyl)]}bis(4-oxobutanoic acid), fusion protein of Ubiquitin-like protein SMT3 and Stimulator of interferon protein c-terminal domain | 著者 | Lesburg, C.A. | 登録日 | 2019-10-06 | 公開日 | 2020-08-19 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.93 Å) | 主引用文献 | An orally available non-nucleotide STING agonist with antitumor activity. Science, 369, 2020
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6UKZ
| STING C-terminal Domain Complexed with Non-cyclic Dinucleotide Compound 6 | 分子名称: | 4-[5-(2-{[2-(3-carboxypropanoyl)-4-fluoro-6-methoxy-1-benzothiophen-5-yl]oxy}ethoxy)-6-methoxy-1-benzothiophen-2-yl]-4-oxobutanoic acid, fusion protein of Ubiquitin-like protein SMT3 and Stimulator of interferon protein c-terminal domain | 著者 | Lesburg, C.A. | 登録日 | 2019-10-06 | 公開日 | 2020-08-19 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.52 Å) | 主引用文献 | An orally available non-nucleotide STING agonist with antitumor activity. Science, 369, 2020
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6UKY
| STING C-terminal Domain Complexed with Non-cyclic Dinucleotide Compound 12 | 分子名称: | 4-(6-{3-[2-(3-carboxypropanoyl)-6-methoxy-1-benzothiophen-4-yl]propyl}-5-methoxy-1-benzothiophen-2-yl)-4-oxobutanoic acid, fusion protein of Ubiquitin-like protein SMT3 and Stimulator of interferon protein c-terminal domain | 著者 | Lesburg, C.A. | 登録日 | 2019-10-06 | 公開日 | 2020-08-19 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | An orally available non-nucleotide STING agonist with antitumor activity. Science, 369, 2020
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6UKW
| STING C-terminal Domain Complexed with Non-cyclic Dinucleotide Compound 10 | 分子名称: | 4-[6-(3-{[2-(3-carboxypropanoyl)-4-fluoro-6-methoxy-1-benzothiophen-5-yl]oxy}propoxy)-5-methoxy-1-benzothiophen-2-yl]-4-oxobutanoic acid, fusion protein of Ubiquitin-like protein SMT3 and Stimulator of interferon protein c-terminal domain | 著者 | Lesburg, C.A. | 登録日 | 2019-10-06 | 公開日 | 2020-08-19 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.97 Å) | 主引用文献 | An orally available non-nucleotide STING agonist with antitumor activity. Science, 369, 2020
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6D3V
| Chromosomal trehalose-6-phosphate phosphatase from P. aeruginosa | 分子名称: | 1,2-ETHANEDIOL, ACETIC ACID, NICKEL (II) ION, ... | 著者 | Hofmann, A, Cross, M, Park, S.-Y. | 登録日 | 2018-04-17 | 公開日 | 2018-05-09 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Trehalose 6-phosphate phosphatases of Pseudomonas aeruginosa. FASEB J., 32, 2018
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5VND
| Crystal structure of FGFR1-Y563C (FGFR4 surrogate) covalently bound to H3B-6527 | 分子名称: | 1,2-ETHANEDIOL, Fibroblast growth factor receptor 1, N-{2-[(6-{[(2,6-dichloro-3,5-dimethoxyphenyl)carbamoyl](methyl)amino}pyrimidin-4-yl)amino]-5-(4-ethylpiperazin-1-yl)phenyl}propanamide, ... | 著者 | Tsai, J.H.C, Reynolds, D, Fekkes, P, Smith, P, Larsen, N.A. | 登録日 | 2017-04-30 | 公開日 | 2017-05-24 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | H3B-6527 Is a Potent and Selective Inhibitor of FGFR4 in FGF19-Driven Hepatocellular Carcinoma. Cancer Res., 77, 2017
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5N2K
| Structure of unbound Briakinumab FAb | 分子名称: | 1,2-ETHANEDIOL, Briakinumab FAb heavy chain, Briakinumab FAb light chain | 著者 | Bloch, Y, Savvides, S.N. | 登録日 | 2017-02-07 | 公開日 | 2018-01-03 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (2.219 Å) | 主引用文献 | Structural Activation of Pro-inflammatory Human Cytokine IL-23 by Cognate IL-23 Receptor Enables Recruitment of the Shared Receptor IL-12R beta 1. Immunity, 48, 2018
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7U8E
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8FAH
| Crystal structure of SARS-CoV-2 receptor binding domain in complex with SARS-CoV-2 reactive human antibody CR3022 | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CR3022 Fab heavy chain, CR3022 Fab light chain, ... | 著者 | Sankhala, R.S, Jensen, J.L, Joyce, M.G. | 登録日 | 2022-11-26 | 公開日 | 2023-12-13 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (4.22 Å) | 主引用文献 | Antibody targeting of conserved sites of vulnerability on the SARS-CoV-2 spike receptor-binding domain. Structure, 32, 2024
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5MXA
| Structure of unbound Interleukin-23 | 分子名称: | Interleukin-12 subunit beta, Interleukin-23 subunit alpha, alpha-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | 著者 | Bloch, Y, Savvides, S.N. | 登録日 | 2017-01-22 | 公開日 | 2017-12-20 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.501 Å) | 主引用文献 | Structural Activation of Pro-inflammatory Human Cytokine IL-23 by Cognate IL-23 Receptor Enables Recruitment of the Shared Receptor IL-12R beta 1. Immunity, 48, 2018
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7KIA
| Crystal structure of FGFR2 kinase domain gatekeeper mutant V564F in complex with covalent compound 19 | 分子名称: | 1-[4-(4-{4-(4-methylpiperazin-1-yl)-6-[(3-methyl-1H-pyrazol-5-yl)amino]pyrimidin-2-yl}phenyl)piperidin-1-yl]prop-2-en-1-one, CITRATE ANION, Fibroblast growth factor receptor 2, ... | 著者 | Ke, J, Wibowo, A.S, Carter, J.J, Larsen, N.A. | 登録日 | 2020-10-23 | 公開日 | 2021-02-10 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.22 Å) | 主引用文献 | Discovery of Aminopyrazole Derivatives as Potent Inhibitors of Wild-Type and Gatekeeper Mutant FGFR2 and 3. Acs Med.Chem.Lett., 12, 2021
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7KIE
| Crystal structure of FGFR2 kinase domain gatekeeper mutant V564F in complex with covalent compound 3 | 分子名称: | CITRATE ANION, Fibroblast growth factor receptor 2, GLYCEROL, ... | 著者 | Ke, J, Wibowo, A.S, Carter, J.J, Larsen, N.A. | 登録日 | 2020-10-23 | 公開日 | 2021-02-10 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.47 Å) | 主引用文献 | Discovery of Aminopyrazole Derivatives as Potent Inhibitors of Wild-Type and Gatekeeper Mutant FGFR2 and 3. Acs Med.Chem.Lett., 12, 2021
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7BKG
| Co-crystal structure of Human Nicotinamide N-methyltransferase (NNMT) with the tricyclic inhibitor (2) | 分子名称: | 5,6-dihydro-2-imino-2H,4H-thiazolo(5,4,3-IJ)quinoline, Nicotinamide N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE | 著者 | Schreuder, H.A, Liesum, A. | 登録日 | 2021-01-15 | 公開日 | 2021-03-17 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.326 Å) | 主引用文献 | Novel Inhibitors of Nicotinamide- N -Methyltransferase for the Treatment of Metabolic Disorders. Molecules, 26, 2021
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