4HPC
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4HPB
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4HPD
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4HPA
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7UE1
| HIV-1 Integrase Catalytic Core Domain Mutant (KGD) in Complex with Inhibitor GRL-142 | 分子名称: | (3S,3aR,5R,7aS,8S)-hexahydro-4H-3,5-methanofuro[2,3-b]pyran-8-yl [(2S,3R)-4-[{[2-(cyclopropylamino)-1,3-benzothiazol-6-yl]sulfonyl}(2-methylpropyl)amino]-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl]carbamate, Integrase, SULFATE ION | 著者 | Aoki, M, Aoki-Ogata, H, Bulut, H, Hayashi, H, Davis, D, Hasegawa, K, Yarchoan, R, Ghosh, A.K, Pau, A.K, Mitsuya, H. | 登録日 | 2022-03-21 | 公開日 | 2023-03-22 | 最終更新日 | 2024-04-24 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | GRL-142 binds to and impairs HIV-1 integrase nuclear localization signal and potently suppresses highly INSTI-resistant HIV-1 variants. Sci Adv, 9, 2023
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1J0P
| Three dimensional Structure of the Y43L mutant of Tetraheme Cytochrome c3 from Desulfovibrio vulgaris Miyazaki F | 分子名称: | Cytochrome c3, ETHANOL, PROTOPORPHYRIN IX CONTAINING FE, ... | 著者 | Ozawa, K, Yasukawa, F, Kumagai, J, Ohmura, T, Cusanvich, M.A, Tomimoto, Y, Ogata, H, Higuchi, Y, Akutsu, H. | 登録日 | 2002-11-19 | 公開日 | 2003-11-19 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (0.91 Å) | 主引用文献 | Role of the aromatic ring of Tyr43 in tetraheme cytochrome c(3) from Desulfovibrio vulgaris Miyazaki F. Biophys.J., 85, 2003
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1J0O
| High Resolution Crystal Structure of the wild type Tetraheme Cytochrome c3 from Desulfovibrio vulgaris Miyazaki F | 分子名称: | Cytochrome c3, ETHANOL, PROTOPORPHYRIN IX CONTAINING FE | 著者 | Ozawa, K, Yasukawa, F, Kumagai, J, Ohmura, T, Cusanvich, M.A, Tomimoto, Y, Ogata, H, Higuchi, Y, Akutsu, H. | 登録日 | 2002-11-19 | 公開日 | 2003-11-19 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (1.15 Å) | 主引用文献 | Role of the aromatic ring of Tyr43 in tetraheme cytochrome c(3) from Desulfovibrio vulgaris Miyazaki F. Biophys.J., 85, 2003
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1H2R
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1WVX
| Crystal structures of kinase domain of DAP kinase in complex with small molecular inhibitors | 分子名称: | 6-(3-AMINOPROPYL)-4,9-DIMETHYLPYRROLO[3,4-C]CARBAZOLE-1,3(2H,6H)-DIONE, Death-associated protein kinase 1 | 著者 | Ueda, Y, Ogata, H, Yamakawa, A, Higuchi, Y. | 登録日 | 2004-12-27 | 公開日 | 2006-04-11 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Complex structure of kinase domain of DAP kinase with BDB402 To be Published
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1WVY
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4NJS
| Crystal structure of multidrug-resistant clinical isolate A02 HIV-1 protease in complex with non-peptidic inhibitor, GRL008 | 分子名称: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-4-{[(4-carbamoylphenyl)sulfonyl](2-methylpropyl)amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate, Protease | 著者 | Yedidi, R.S, Garimella, H, Kaufman, J.D, Das, D, Wingfield, P.T, Ghosh, A.K, Mitsuya, H. | 登録日 | 2013-11-11 | 公開日 | 2014-04-02 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | A Conserved Hydrogen-Bonding Network of P2 bis-Tetrahydrofuran-Containing HIV-1 Protease Inhibitors (PIs) with a Protease Active-Site Amino Acid Backbone Aids in Their Activity against PI-Resistant HIV. Antimicrob.Agents Chemother., 58, 2014
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5COP
| X-ray crystal structure of wild type HIV-1 protease in complex with GRL-097 | 分子名称: | (3R,3aS,4S,7aS)-3-hydroxyhexahydro-4H-furo[2,3-b]pyran-4-yl [(2S,3R)-4-{[(4-aminophenyl)sulfonyl](2-methylpropyl)amino}-3-hydroxy-1-(4-methoxyphenyl)butan-2-yl]carbamate, HIV-1 protease | 著者 | Yedidi, R.S, Hayashi, H, Aoki, M, Das, D, Ghosh, A.K, Mitsuya, H. | 登録日 | 2015-07-20 | 公開日 | 2016-01-13 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | C-5-Modified Tetrahydropyrano-Tetrahydofuran-Derived Protease Inhibitors (PIs) Exert Potent Inhibition of the Replication of HIV-1 Variants Highly Resistant to Various PIs, including Darunavir. J.Virol., 90, 2015
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5COK
| X-ray crystal structure of wild type HIV-1 protease in complex with GRL-0476 | 分子名称: | (3aS,4S,7aR)-hexahydro-4H-furo[2,3-b]pyran-4-yl [(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate, HIV-1 protease | 著者 | Yedidi, R.S, Hayashi, H, Aoki, M, Das, D, Ghosh, A.K, Mitsuya, H. | 登録日 | 2015-07-20 | 公開日 | 2016-01-13 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.801 Å) | 主引用文献 | C-5-Modified Tetrahydropyrano-Tetrahydofuran-Derived Protease Inhibitors (PIs) Exert Potent Inhibition of the Replication of HIV-1 Variants Highly Resistant to Various PIs, including Darunavir. J.Virol., 90, 2015
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5COO
| X-ray crystal structure of wild type HIV-1 protease in complex with GRL-085 | 分子名称: | (3R,3aS,4S,7aS)-3-hydroxyhexahydro-4H-furo[2,3-b]pyran-4-yl [(2S,3R)-3-hydroxy-1-(4-methoxyphenyl)-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}butan-2-yl]carbamate, HIV-1 protease | 著者 | Yedidi, R.S, Hayashi, H, Aoki, M, Das, D, Ghosh, A.K, Mitsuya, H. | 登録日 | 2015-07-20 | 公開日 | 2016-01-13 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | C-5-Modified Tetrahydropyrano-Tetrahydofuran-Derived Protease Inhibitors (PIs) Exert Potent Inhibition of the Replication of HIV-1 Variants Highly Resistant to Various PIs, including Darunavir. J.Virol., 90, 2015
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5CON
| X-ray crystal structure of wild type HIV-1 protease in complex with GRL-015 | 分子名称: | (3R,3aS,4S,7aS)-3-hydroxyhexahydro-4H-furo[2,3-b]pyran-4-yl [(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate, HIV-1 protease | 著者 | Yedidi, R.S, Hayashi, H, Aoki, M, Das, D, Ghosh, A.K, Mitsuya, H. | 登録日 | 2015-07-20 | 公開日 | 2016-01-13 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | C-5-Modified Tetrahydropyrano-Tetrahydofuran-Derived Protease Inhibitors (PIs) Exert Potent Inhibition of the Replication of HIV-1 Variants Highly Resistant to Various PIs, including Darunavir. J.Virol., 90, 2015
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5TYR
| X-ray crystal structure of wild type HIV-1 protease in complex with GRL-121 | 分子名称: | (3S,3aR,5R,7aS,8S)-hexahydro-4H-3,5-methanofuro[2,3-b]pyran-8-yl {(2S,3R)-4-[{[2-(cyclopropylamino)-1,3-benzothiazol-6-yl]sulfonyl}(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl}carbamate, Protease | 著者 | Yedidi, R.S, Hayashi, H, Aoki, M, Das, D, Ghosh, A.K, Mitsuya, H. | 登録日 | 2016-11-21 | 公開日 | 2017-10-18 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | A novel central nervous system-penetrating protease inhibitor overcomes human immunodeficiency virus 1 resistance with unprecedented aM to pM potency. Elife, 6, 2017
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5TYS
| X-ray crystal structure of wild type HIV-1 protease in complex with GRL-142 | 分子名称: | (3S,3aR,5R,7aS,8S)-hexahydro-4H-3,5-methanofuro[2,3-b]pyran-8-yl [(2S,3R)-4-[{[2-(cyclopropylamino)-1,3-benzothiazol-6-yl]sulfonyl}(2-methylpropyl)amino]-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl]carbamate, Protease | 著者 | Yedidi, R.S, Hayashi, H, Aoki, M, Das, D, Ghosh, A.K, Mitsuya, H. | 登録日 | 2016-11-21 | 公開日 | 2017-10-18 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.007 Å) | 主引用文献 | A novel central nervous system-penetrating protease inhibitor overcomes human immunodeficiency virus 1 resistance with unprecedented aM to pM potency. Elife, 6, 2017
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2FFN
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4NJU
| Crystal structure of multidrug-resistant clinical isolate A02 HIV-1 protease in complex with tipranavir | 分子名称: | N-(3-{(1R)-1-[(6R)-4-HYDROXY-2-OXO-6-PHENETHYL-6-PROPYL-5,6-DIHYDRO-2H-PYRAN-3-YL]PROPYL}PHENYL)-5-(TRIFLUOROMETHYL)-2-PYRIDINESULFONAMIDE, Protease | 著者 | Yedidi, R.S, Garimella, H, Kaufman, J.D, Das, D, Wingfield, P.T, Mitsuya, H. | 登録日 | 2013-11-11 | 公開日 | 2014-04-02 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | A Conserved Hydrogen-Bonding Network of P2 bis-Tetrahydrofuran-Containing HIV-1 Protease Inhibitors (PIs) with a Protease Active-Site Amino Acid Backbone Aids in Their Activity against PI-Resistant HIV. Antimicrob.Agents Chemother., 58, 2014
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4NJT
| Crystal structure of multidrug-resistant clinical isolate A02 HIV-1 protease in complex with darunavir | 分子名称: | (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, Protease | 著者 | Yedidi, R.S, Garimella, H, Chang, S.B, Kaufman, J.D, Das, D, Wingfield, P.T, Ghosh, A.K, Mitsuya, H. | 登録日 | 2013-11-11 | 公開日 | 2014-04-02 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | A Conserved Hydrogen-Bonding Network of P2 bis-Tetrahydrofuran-Containing HIV-1 Protease Inhibitors (PIs) with a Protease Active-Site Amino Acid Backbone Aids in Their Activity against PI-Resistant HIV. Antimicrob.Agents Chemother., 58, 2014
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4NJV
| Crystal structure of multidrug-resistant clinical isolate A02 HIV-1 protease in complex with ritonavir | 分子名称: | Protease, RITONAVIR | 著者 | Yedidi, R.S, Garimella, H, Chang, S.B, Kaufman, J.D, Das, D, Wingfield, P.T, Mitsuya, H. | 登録日 | 2013-11-11 | 公開日 | 2014-04-02 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | A Conserved Hydrogen-Bonding Network of P2 bis-Tetrahydrofuran-Containing HIV-1 Protease Inhibitors (PIs) with a Protease Active-Site Amino Acid Backbone Aids in Their Activity against PI-Resistant HIV. Antimicrob.Agents Chemother., 58, 2014
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2IEN
| Crystal structure analysis of HIV-1 protease with a potent non-peptide inhibitor (UIC-94017) | 分子名称: | (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, ACETIC ACID, CHLORIDE ION, ... | 著者 | Tie, Y, Boross, P.I, Wang, Y.F, Gaddis, L, Manna, D, Hussain, A.K, Leshchenko, S, Ghosh, A.K, Louis, J.M, Harrison, R.W, Weber, I.T. | 登録日 | 2006-09-19 | 公開日 | 2006-10-03 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | 主引用文献 | High Resolution Crystal Structures of HIV-1 Protease with a Potent Non-Peptide Inhibitor (Uic-94017) Active Against Multi-Drug-Resistant Clinical Strains. J.Mol.Biol., 338, 2004
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8W6X
| Neutron structure of [NiFe]-hydrogenase from D. vulgaris Miyazaki F in its oxidized state | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, FE3-S4 CLUSTER, ... | 著者 | Hiromoto, T, Tamada, T. | 登録日 | 2023-08-30 | 公開日 | 2023-09-13 | 最終更新日 | 2023-11-15 | 実験手法 | NEUTRON DIFFRACTION (1.04 Å), X-RAY DIFFRACTION | 主引用文献 | New insights into the oxidation process from neutron and X-ray crystal structures of an O 2 -sensitive [NiFe]-hydrogenase. Chem Sci, 14, 2023
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6KR0
| Crystal structure of HL homo-diabody | 分子名称: | HL diabody | 著者 | Tanaka, Y. | 登録日 | 2019-08-20 | 公開日 | 2020-08-26 | 最終更新日 | 2021-09-08 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Association behavior and control of the quality of cancer therapeutic bispecific diabodies expressed in Escherichia coli Biochem Eng J, 160, 2020
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7VXQ
| The Carbon Monoxide Complex of [NiFe]-hydrogenase (Hyb-type) from Citrobacter sp. S-77 | 分子名称: | CARBON MONOXIDE, FE3-S4 CLUSTER, GLYCEROL, ... | 著者 | Nishikawa, K, Higuchi, K, Imanishi, T, Higuchi, Y. | 登録日 | 2021-11-13 | 公開日 | 2022-02-09 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.77 Å) | 主引用文献 | Structural and spectroscopic characterization of CO inhibition of [NiFe]-hydrogenase from Citrobacter sp. S-77. Acta Crystallogr.,Sect.F, 78, 2022
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