8IRI
 
 | | XFEL structure of cyanobacterial photosystem II following two flashes (2F) with a 5-millisecond delay | | 分子名称: | 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ... | | 著者 | Li, H, Suga, M, Shen, J.R. | | 登録日 | 2023-03-17 | | 公開日 | 2024-01-17 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | | 主引用文献 | Oxygen-evolving photosystem II structures during S 1 -S 2 -S 3 transitions.
Nature, 626, 2024
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8IR9
 | | XFEL structure of cyanobacterial photosystem II following one flash (1F) with a 30-microsecond delay | | 分子名称: | 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ... | | 著者 | Li, H, Suga, M, Shen, J.R. | | 登録日 | 2023-03-17 | | 公開日 | 2024-01-17 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Oxygen-evolving photosystem II structures during S 1 -S 2 -S 3 transitions.
Nature, 626, 2024
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8IRA
 | | XFEL structure of cyanobacterial photosystem II following one flash (1F) with a 200-microsecond delay | | 分子名称: | 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ... | | 著者 | Li, H, Suga, M, Shen, J.R. | | 登録日 | 2023-03-17 | | 公開日 | 2024-01-17 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Oxygen-evolving photosystem II structures during S 1 -S 2 -S 3 transitions.
Nature, 626, 2024
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8IRD
 | | XFEL structure of cyanobacterial photosystem II following two flashes (2F) with a 20-nanosecond delay | | 分子名称: | 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ... | | 著者 | Li, H, Suga, M, Shen, J.R. | | 登録日 | 2023-03-17 | | 公開日 | 2024-01-17 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Oxygen-evolving photosystem II structures during S 1 -S 2 -S 3 transitions.
Nature, 626, 2024
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5WS5
 | | Native XFEL structure of photosystem II (preflash dark dataset) | | 分子名称: | 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ... | | 著者 | Suga, M, Shen, J.R. | | 登録日 | 2016-12-05 | | 公開日 | 2017-03-15 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | | 主引用文献 | Light-induced structural changes and the site of O=O bond formation in PSII caught by XFEL.
Nature, 543, 2017
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6KRZ
 | | Crystal structure of the human adiponectin receptor 1 D208A mutant | | 分子名称: | (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Adiponectin receptor protein 1, OLEIC ACID, ... | | 著者 | Tanabe, H, Fujii, Y, Okada-Iwabu, M, Iwabu, M, Yamauchi, T, Kadowaki, T, Yokoyama, S. | | 登録日 | 2019-08-22 | | 公開日 | 2020-08-19 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (3.05 Å) | | 主引用文献 | Human adiponectin receptor AdipoR1 assumes closed and open structures.
Commun Biol, 3, 2020
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6MK0
 | | Integrin AlphaVBeta3 ectodomain bound to antagonist TDI-4161 | | 分子名称: | (2S)-2-[(1,3-benzothiazole-2-carbonyl)amino]-4-{[5-(1,8-naphthyridin-2-yl)pentanoyl]amino}butanoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | van Agthoven, J, Arnaout, M.A. | | 登録日 | 2018-09-24 | | 公開日 | 2019-09-25 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (3.005 Å) | | 主引用文献 | Novel Pure alphaVbeta3 Integrin Antagonists That Do Not Induce Receptor Extension, Prime the Receptor, or Enhance Angiogenesis at Low Concentrations
Acs Pharmacol Transl Sci, 2, 2019
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8X6R
 | | KRasG12C in complex with inhibitor | | 分子名称: | 1-[7-[6-ethenyl-8-ethoxy-7-(5-methyl-1~{H}-indazol-4-yl)-2-(1-methylpiperidin-4-yl)oxy-quinazolin-4-yl]-2,7-diazaspiro[3.5]nonan-2-yl]propan-1-one, GUANOSINE-5'-DIPHOSPHATE, Isoform 2B of GTPase KRas, ... | | 著者 | Amano, Y, Tateishi, Y. | | 登録日 | 2023-11-21 | | 公開日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Discovery of ASP6918, a KRAS G12C inhibitor: Synthesis and structure-activity relationships of 1-{2,7-diazaspiro[3.5]non-2-yl}prop-2-en-1-one derivatives as covalent inhibitors with good potency and oral activity for the treatment of solid tumors.
Bioorg.Med.Chem., 98, 2023
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7ZZO
 | | HDAC2 in complex with an inhibitor | | 分子名称: | 2-(cyclohexylazaniumyl)ethanesulfonate, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Cleasby, A, Tisi, D. | | 登録日 | 2022-05-25 | | 公開日 | 2022-09-21 | | 最終更新日 | 2024-06-19 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Fragment-Based Discovery of a Novel, Brain Penetrant, Orally Active HDAC2 Inhibitor.
Acs Med.Chem.Lett., 13, 2022
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7ZZT
 | | Ligand binding to HDAC2 | | 分子名称: | 1,2-ETHANEDIOL, 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, CALCIUM ION, ... | | 著者 | Cleasby, A, Tisi, D. | | 登録日 | 2022-05-26 | | 公開日 | 2022-09-21 | | 最終更新日 | 2024-06-19 | | 実験手法 | X-RAY DIFFRACTION (1.56 Å) | | 主引用文献 | Fragment-Based Discovery of a Novel, Brain Penetrant, Orally Active HDAC2 Inhibitor.
Acs Med.Chem.Lett., 13, 2022
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7ZZP
 | | Structure of HDAC2 complexed with an inhibitory ligand | | 分子名称: | (2S)-2-HYDROXYPROPANOIC ACID, 1,2-ETHANEDIOL, 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, ... | | 著者 | Cleasby, A, Tisi, D. | | 登録日 | 2022-05-25 | | 公開日 | 2022-09-21 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (1.52 Å) | | 主引用文献 | Fragment-Based Discovery of a Novel, Brain Penetrant, Orally Active HDAC2 Inhibitor.
Acs Med.Chem.Lett., 13, 2022
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7ZZR
 | | HDAC2 in complex with inhibitory ligand | | 分子名称: | 1,2-ETHANEDIOL, 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, CALCIUM ION, ... | | 著者 | Cleasby, A, Tisi, D. | | 登録日 | 2022-05-26 | | 公開日 | 2022-09-21 | | 最終更新日 | 2024-06-19 | | 実験手法 | X-RAY DIFFRACTION (2.168 Å) | | 主引用文献 | Fragment-Based Discovery of a Novel, Brain Penetrant, Orally Active HDAC2 Inhibitor.
Acs Med.Chem.Lett., 13, 2022
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7ZZW
 | | Ligand binding to HDAC2 | | 分子名称: | 1,2-ETHANEDIOL, 2-(cyclohexylazaniumyl)ethanesulfonate, CALCIUM ION, ... | | 著者 | Cleasby, A, Tisi, D. | | 登録日 | 2022-05-26 | | 公開日 | 2022-09-21 | | 最終更新日 | 2024-06-19 | | 実験手法 | X-RAY DIFFRACTION (1.73 Å) | | 主引用文献 | Fragment-Based Discovery of a Novel, Brain Penetrant, Orally Active HDAC2 Inhibitor.
Acs Med.Chem.Lett., 13, 2022
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7ZZS
 | | HDAC2 complexed with an inhibitory ligand | | 分子名称: | (5~{S})-5-(4-chlorophenyl)pyrrolidin-2-one, 1,2-ETHANEDIOL, 2-(cyclohexylazaniumyl)ethanesulfonate, ... | | 著者 | Cleasby, A, Tisi, D. | | 登録日 | 2022-05-26 | | 公開日 | 2022-09-21 | | 最終更新日 | 2024-06-19 | | 実験手法 | X-RAY DIFFRACTION (1.88 Å) | | 主引用文献 | Fragment-Based Discovery of a Novel, Brain Penetrant, Orally Active HDAC2 Inhibitor.
Acs Med.Chem.Lett., 13, 2022
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8A0B
 | | Inhibitor binding to HDAC2 | | 分子名称: | 1,2-ETHANEDIOL, 1,3-dihydroisoindol-2-yl-[(2R,4S)-4-phenylpyrrolidin-1-ium-2-yl]methanone, 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, ... | | 著者 | Cleasby, A, Tisi, D. | | 登録日 | 2022-05-27 | | 公開日 | 2022-09-21 | | 最終更新日 | 2024-06-19 | | 実験手法 | X-RAY DIFFRACTION (1.746 Å) | | 主引用文献 | Fragment-Based Discovery of a Novel, Brain Penetrant, Orally Active HDAC2 Inhibitor.
Acs Med.Chem.Lett., 13, 2022
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7ZZU
 | | Inhibitory Ligand binding to HDAC2 | | 分子名称: | 1,2-ETHANEDIOL, 2-[4-[(2~{R},4~{S})-4-phenylpyrrolidin-2-yl]carbonylpiperazin-1-yl]pyridine-3-carbonitrile, 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, ... | | 著者 | Cleasby, A, Tisi, D. | | 登録日 | 2022-05-26 | | 公開日 | 2022-09-21 | | 最終更新日 | 2024-06-19 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Fragment-Based Discovery of a Novel, Brain Penetrant, Orally Active HDAC2 Inhibitor.
Acs Med.Chem.Lett., 13, 2022
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6L68
 | | X-ray structure of human galectin-10 in complex with D-allose | | 分子名称: | Galectin-10, beta-D-allopyranose | | 著者 | Kamitori, S. | | 登録日 | 2019-10-28 | | 公開日 | 2020-03-04 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.92 Å) | | 主引用文献 | Structures of human galectin-10/monosaccharide complexes demonstrate potential of monosaccharides as effectors in forming Charcot-Leyden crystals.
Biochem.Biophys.Res.Commun., 2020
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5YWX
 | | Crystal structure of hematopoietic prostaglandin D synthase in complex with F092 | | 分子名称: | GLUTATHIONE, GLYCEROL, Hematopoietic prostaglandin D synthase, ... | | 著者 | Kamo, M, Furubayashi, N, Inaka, K, Aritake, K, Omura, A, Tanaka, A. | | 登録日 | 2017-11-30 | | 公開日 | 2018-09-05 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.74 Å) | | 主引用文献 | Characterization of crystal water molecules in a high-affinity inhibitor and hematopoietic prostaglandin D synthase complex by interaction energy studies.
Bioorg. Med. Chem., 26, 2018
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6AAJ
 | | Crystal structure of JAK2 in complex with peficitinib | | 分子名称: | 4-[[(1S,3R)-5-oxidanyl-2-adamantyl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide, Tyrosine-protein kinase JAK2 | | 著者 | Amano, Y, Tateishi, Y. | | 登録日 | 2018-07-18 | | 公開日 | 2018-08-15 | | 最終更新日 | 2023-03-08 | | 実験手法 | X-RAY DIFFRACTION (2.37 Å) | | 主引用文献 | Discovery and structural characterization of peficitinib (ASP015K) as a novel and potent JAK inhibitor
Bioorg. Med. Chem., 26, 2018
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6BR2
 | | Structure of RORgt in complex with a novel isoquinoline inverse agonist. | | 分子名称: | (1R)-N-(4-tert-butyl-3-fluorophenyl)-6-methoxy-2-[(3-oxo-2,3-dihydro-1,2-oxazol-5-yl)acetyl]-1,2,3,4-tetrahydroisoquinoline-1-carboxamide, (4S)-2-METHYL-2,4-PENTANEDIOL, Nuclear receptor ROR-gamma | | 著者 | Skene, R.J, Hoffman, I. | | 登録日 | 2017-11-29 | | 公開日 | 2018-03-21 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (3.18 Å) | | 主引用文献 | Discovery of [ cis-3-({(5 R)-5-[(7-Fluoro-1,1-dimethyl-2,3-dihydro-1 H-inden-5-yl)carbamoyl]-2-methoxy-7,8-dihydro-1,6-naphthyridin-6(5 H)-yl}carbonyl)cyclobutyl]acetic Acid (TAK-828F) as a Potent, Selective, and Orally Available Novel Retinoic Acid Receptor-Related Orphan Receptor gamma t Inverse Agonist.
J. Med. Chem., 61, 2018
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6JZI
 | | Structure of hen egg-white lysozyme obtained from SFX experiments under atmospheric pressure | | 分子名称: | CHLORIDE ION, Lysozyme C, SODIUM ION | | 著者 | Nango, E, Sugahara, M, Nakane, T, Tanaka, T, Iwata, S. | | 登録日 | 2019-05-02 | | 公開日 | 2019-10-30 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | High-viscosity sample-injection device for serial femtosecond crystallography at atmospheric pressure.
J.Appl.Crystallogr., 52, 2019
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2E4N
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6BR3
 | | Structure of RORgt in complex with a novel inverse agonist TAK-828. | | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, Nuclear receptor ROR-gamma, {cis-3-[(5R)-5-[(7-fluoro-1,1-dimethyl-1H-inden-5-yl)carbamoyl]-2-methoxy-7,8-dihydro-1,6-naphthyridine-6(5H)-carbonyl]cyclobutyl}acetic acid | | 著者 | Skene, R.J, Hoffman, I. | | 登録日 | 2017-11-29 | | 公開日 | 2018-03-21 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | Discovery of [ cis-3-({(5 R)-5-[(7-Fluoro-1,1-dimethyl-2,3-dihydro-1 H-inden-5-yl)carbamoyl]-2-methoxy-7,8-dihydro-1,6-naphthyridin-6(5 H)-yl}carbonyl)cyclobutyl]acetic Acid (TAK-828F) as a Potent, Selective, and Orally Available Novel Retinoic Acid Receptor-Related Orphan Receptor gamma t Inverse Agonist.
J. Med. Chem., 61, 2018
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6AAM
 | | Crystal structure of TYK2 in complex with peficitinib | | 分子名称: | 4-[[(1S,3R)-5-oxidanyl-2-adamantyl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide, Non-receptor tyrosine-protein kinase TYK2 | | 著者 | Nomura, N, Tomimoto, Y. | | 登録日 | 2018-07-18 | | 公開日 | 2018-08-15 | | 最終更新日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (1.98 Å) | | 主引用文献 | Discovery and structural characterization of peficitinib (ASP015K) as a novel and potent JAK inhibitor
Bioorg. Med. Chem., 26, 2018
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6AAH
 | | Crystal structure of JAK1 in complex with peficitinib | | 分子名称: | 4-[[(1S,3R)-5-oxidanyl-2-adamantyl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide, Tyrosine-protein kinase JAK1 | | 著者 | Amano, Y. | | 登録日 | 2018-07-18 | | 公開日 | 2018-08-15 | | 最終更新日 | 2018-10-24 | | 実験手法 | X-RAY DIFFRACTION (1.83 Å) | | 主引用文献 | Discovery and structural characterization of peficitinib (ASP015K) as a novel and potent JAK inhibitor
Bioorg. Med. Chem., 26, 2018
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