5WRA
| Crystal structure of hen egg-white lysozyme | 分子名称: | CHLORIDE ION, Lysozyme C, SODIUM ION | 著者 | Sugahara, M, Suzuki, M, Masuda, T, Inoue, S, Nango, E. | 登録日 | 2016-12-01 | 公開日 | 2017-12-06 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | 主引用文献 | Hydroxyethyl cellulose matrix applied to serial crystallography Sci Rep, 7, 2017
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6ON5
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6ON8
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6OO8
| Dehaloperoxidase B in complex with substrate pentachlorophenol | 分子名称: | 1,2-ETHANEDIOL, Dehaloperoxidase B, PENTACHLOROPHENOL, ... | 著者 | Ghiladi, R.A, de Serrano, V.S, Malewschik, T. | 登録日 | 2019-04-22 | 公開日 | 2020-04-29 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | The multifunctional globin dehaloperoxidase strikes again: Simultaneous peroxidase and peroxygenase mechanisms in the oxidation of EPA pollutants. Arch.Biochem.Biophys., 673, 2019
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6WHE
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6OOB
| Human CYP3A4 bound to a suicide substrate | 分子名称: | 4-{[(2Z,6S)-6,7-dihydroxy-3,7-dimethyloct-2-en-1-yl]oxy}-7H-furo[3,2-g][1]benzopyran-7-one, Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE | 著者 | Sevrioukova, I.F. | 登録日 | 2019-04-22 | 公開日 | 2019-09-11 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.202 Å) | 主引用文献 | Structural Insights into the Interaction of Cytochrome P450 3A4 with Suicide Substrates: Mibefradil, Azamulin and 6',7'-Dihydroxybergamottin. Int J Mol Sci, 20, 2019
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6OGL
| X-ray crystal structure of darunavir-resistant HIV-1 protease (P51) in complex with GRL-003 | 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-(4-fluorophenyl)-3-hydroxybutan-2-yl]carbamate, 1,2-ETHANEDIOL, GLYCEROL, ... | 著者 | Bulut, H, Hattori, S.I, Aoki-Ogata, H, Hayashi, H, Aoki, M, Ghosh, A.K, Mitsuya, H. | 登録日 | 2019-04-02 | 公開日 | 2020-04-08 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (1.21 Å) | 主引用文献 | Single atom changes in newly synthesized HIV protease inhibitors reveal structural basis for extreme affinity, high genetic barrier, and adaptation to the HIV protease plasticity. Sci Rep, 10, 2020
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6OGV
| X-ray crystal structure of darunavir-resistant HIV-1 protease (P30) in apo state | 分子名称: | Protease | 著者 | Bulut, H, Hattori, S.I, Aoki-Ogata, H, Hayashi, H, Aoki, M, Ghosh, A.K, Mitsuya, H. | 登録日 | 2019-04-03 | 公開日 | 2020-04-08 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.57 Å) | 主引用文献 | Novel HIV-1 protease inhibitors, GRL-142 and its analogs, markedly adapt to the structural plasticity of HIV-1 protease and exerts extreme potency with high genetic barrier To Be Published
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5WI8
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6OMO
| Human BMP6 homodimer | 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, Bone morphogenetic protein 6, ... | 著者 | Juo, Z.S, Seeherman, H. | 登録日 | 2019-04-19 | 公開日 | 2019-05-08 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | A BMP/activin A chimera is superior to native BMPs and induces bone repair in nonhuman primates when delivered in a composite matrix. Sci Transl Med, 11, 2019
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6OGQ
| X-ray crystal structure of darunavir-resistant HIV-1 protease (P30) in complex with GRL-003 | 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-(4-fluorophenyl)-3-hydroxybutan-2-yl]carbamate, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | 著者 | Bulut, H, Hattori, S.I, Aoki-Ogata, H, Hayashi, H, Aoki, M, Ghosh, A.K, Mitsuya, H. | 登録日 | 2019-04-03 | 公開日 | 2020-04-08 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.41 Å) | 主引用文献 | Single atom changes in newly synthesized HIV protease inhibitors reveal structural basis for extreme affinity, high genetic barrier, and adaptation to the HIV protease plasticity. Sci Rep, 10, 2020
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5WAX
| Crystal Structure of Sugarcane SAPK10 (serine/threonine-protein kinase 10) | 分子名称: | GLYCEROL, SAPK10 (serine/threonine-protein kinase 10) | 著者 | Righetto, G.L, Counago, R.M, Halabelian, L, Santiago, A.S, Massirer, K.B, Arruda, P, Gileadi, O, Menossi, M, Edwards, A.M, Elkins, J.M, Structural Genomics Consortium (SGC) | 登録日 | 2017-06-27 | 公開日 | 2018-08-15 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Crystal Structure of Sugarcane SAPK10 (serine/threonine-protein kinase 10) To Be Published
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5WPM
| KRas G12V, bound to GppNHp and miniprotein 225-11(A30R) | 分子名称: | GTPase KRas, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ... | 著者 | Lee, S.-J, Shim, S.Y, McGee, J.H, Verdine, G.L. | 登録日 | 2017-08-05 | 公開日 | 2018-01-03 | 最終更新日 | 2018-03-14 | 実験手法 | X-RAY DIFFRACTION (1.72 Å) | 主引用文献 | Exceptionally high-affinity Ras binders that remodel its effector domain. J. Biol. Chem., 293, 2018
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6OPV
| HIV-1 Protease NL4-3 I13V, G16E, V32I, L33F, K45I, M46I, V82F, I84V Mutant 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 NL4-3 | 著者 | Lockbaum, G.J, Henes, M, Kosovrasti, K, Leidner, F, Nachum, G.S, Nalivaika, E.A, Bolon, D.N.A, KurtYilmaz, N, Schiffer, C.A. | 登録日 | 2019-04-25 | 公開日 | 2019-09-04 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.91 Å) | 主引用文献 | Picomolar to Micromolar: Elucidating the Role of Distal Mutations in HIV-1 Protease in Conferring Drug Resistance. Acs Chem.Biol., 14, 2019
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6OPZ
| HIV-1 Protease NL4-3 I13V, G16E, V32I, L33F, K45I, M46I, I54L, A71V, L76V, V82F, I84V Mutant 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 NL4-3 | 著者 | Lockbaum, G.J, Henes, M, Kosovrasti, K, Leidner, F, Nachum, G.S, Nalivaika, E.A, Bolon, D.N.A, KurtYilmaz, N, Schiffer, C.A. | 登録日 | 2019-04-25 | 公開日 | 2019-09-04 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.201 Å) | 主引用文献 | Picomolar to Micromolar: Elucidating the Role of Distal Mutations in HIV-1 Protease in Conferring Drug Resistance. Acs Chem.Biol., 14, 2019
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6ONT
| Structure of the Francisella response regulator 1452 receiver domain | 分子名称: | CALCIUM ION, CHLORIDE ION, SODIUM ION, ... | 著者 | Milton, M.E, Cavanagh, J. | 登録日 | 2019-04-22 | 公開日 | 2020-03-25 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.803 Å) | 主引用文献 | Francisella novicidaTwo-Component System Response Regulator BfpR Modulates iglC Gene Expression, Antimicrobial Peptide Resistance, and Biofilm Production. Front Cell Infect Microbiol, 10, 2020
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5WIW
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5WJK
| 2.0-Angstrom In situ Mylar structure of sperm whale myoglobin (SWMb) at 293 K | 分子名称: | CHLORIDE ION, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ... | 著者 | Broecker, J, Ou, W.-L, Ernst, O.P. | 登録日 | 2017-07-23 | 公開日 | 2017-12-13 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | High-throughput in situ X-ray screening of and data collection from protein crystals at room temperature and under cryogenic conditions. Nat Protoc, 13, 2018
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6OOT
| HIV-1 Protease NL4-3 L89V, L90M Mutant 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, NL4-3 PROTEASE, SULFATE ION | 著者 | Henes, M, Kosovrasti, K, Lockbaum, G.J, Leidner, F, Nachum, G.S, Nalivaika, E.A, Bolon, D.N.A, KurtYilmaz, N, Schiffer, C.A, Whitfield, T.W. | 登録日 | 2019-04-23 | 公開日 | 2019-08-21 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.822 Å) | 主引用文献 | Molecular Determinants of Epistasis in HIV-1 Protease: Elucidating the Interdependence of L89V and L90M Mutations in Resistance. Biochemistry, 58, 2019
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6WR1
| Human steroidogenic cytochrome P450 17A1 mutant N52Y with inhibitor abiraterone | 分子名称: | Abiraterone, PROTOPORPHYRIN IX CONTAINING FE, Steroid 17-alpha-hydroxylase/17,20 lyase | 著者 | Petrunak, E.M, Bart, A.G, Scott, E.E. | 登録日 | 2020-04-29 | 公開日 | 2021-05-05 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Human cytochrome P450 17A1 structures with metabolites of prostate cancer drug abiraterone reveal substrate-binding plasticity and a second binding site. J.Biol.Chem., 299, 2023
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6OPH
| phosphorylated ERK2 with GDC-0994 | 分子名称: | 1-[(1~{S})-1-(4-chloranyl-3-fluoranyl-phenyl)-2-oxidanyl-ethyl]-4-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]pyridin-2-one, Mitogen-activated protein kinase 1 | 著者 | Vigers, G.P, Smith, D. | 登録日 | 2019-04-25 | 公開日 | 2019-07-31 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Activation loop dynamics are controlled by conformation-selective inhibitors of ERK2. Proc.Natl.Acad.Sci.USA, 116, 2019
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6WR0
| Human steroidogenic cytochrome P450 17A1 with 3-keto-delta4-abiraterone analog | 分子名称: | (8alpha)-17-(pyridin-3-yl)androsta-4,16-dien-3-one, CHLORIDE ION, PROTOPORPHYRIN IX CONTAINING FE, ... | 著者 | Petrunak, E.M, Bart, A.G, Scott, E.E. | 登録日 | 2020-04-29 | 公開日 | 2021-05-05 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Human cytochrome P450 17A1 structures with metabolites of prostate cancer drug abiraterone reveal substrate-binding plasticity and a second binding site. J.Biol.Chem., 299, 2023
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5WLO
| a novel 13-ring macrocyclic HIV-1 protease inhibitors involving the P1'-P2' ligands | 分子名称: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-3-hydroxy-4-[(7E)-13-methoxy-1,1-dioxo-1,4,5,6,9,11-hexahydro-10,1lambda~6~,2-benzoxathiazacyclotridecin-2(3H)-yl]-1-phenylbutan-2-yl}carbamate, ACETATE ION, CHLORIDE ION, ... | 著者 | Wang, Y.-F, Agniswamy, J, Weber, I.T. | 登録日 | 2017-07-27 | 公開日 | 2017-10-11 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.27 Å) | 主引用文献 | Design, synthesis, X-ray studies, and biological evaluation of novel macrocyclic HIV-1 protease inhibitors involving the P1'-P2' ligands. Bioorg. Med. Chem. Lett., 27, 2017
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6OSV
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5WNJ
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