7UK9
| Integrin alaphIIBbeta3 complex with lamifiban (Mn) | 分子名称: | 10E5 Fab heavy chain, 10E5 Fab light chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Lin, F.-Y, Zhu, J, Zhu, J, Springer, T.A. | 登録日 | 2022-03-31 | 公開日 | 2022-08-17 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.60001969 Å) | 主引用文献 | A general chemical principle for creating closure-stabilizing integrin inhibitors. Cell, 185, 2022
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7UH8
| Integrin alaphIIBbeta3 complex with roxifiban (Mn/Ca) | 分子名称: | 10E5 Fab heavy chain, 10E5 Fab light chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Lin, F.-Y, Zhu, J, Zhu, J, Springer, T.A. | 登録日 | 2022-03-25 | 公開日 | 2022-08-17 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.750024 Å) | 主引用文献 | A general chemical principle for creating closure-stabilizing integrin inhibitors. Cell, 185, 2022
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7UKP
| Integrin alaphIIBbeta3 complex with a gantofiban analog | 分子名称: | 10E5 Fab heavy chain, 10E5 Fab light chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Lin, F.-Y, Zhu, J, Zhu, J, Springer, T.A. | 登録日 | 2022-04-01 | 公開日 | 2022-08-17 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.80112982 Å) | 主引用文献 | A general chemical principle for creating closure-stabilizing integrin inhibitors. Cell, 185, 2022
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7UJE
| Integrin alaphIIBbeta3 complex with UR2922 in Mn2+ | 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, CALCIUM ION, ... | 著者 | Lin, F.-Y, Zhu, J, Zhu, J, Springer, T.A. | 登録日 | 2022-03-30 | 公開日 | 2022-08-17 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.499968 Å) | 主引用文献 | A general chemical principle for creating closure-stabilizing integrin inhibitors. Cell, 185, 2022
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7UJK
| Integrin alaphIIBbeta3 complex with lamifiban | 分子名称: | 10E5 Fab heavy chain, 10E5 Fab light chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Lin, F.-Y, Zhu, J, Zhu, J, Springer, T.A. | 登録日 | 2022-03-30 | 公開日 | 2022-08-17 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.43265581 Å) | 主引用文献 | A general chemical principle for creating closure-stabilizing integrin inhibitors. Cell, 185, 2022
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7UKT
| Integrin alaphIIBbeta3 complex with BMS4.2 | 分子名称: | (1-{[(5S)-3-(4-carbamimidoylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl}piperidin-4-yl)acetic acid, 10E5 Fab heavy chain, 10E5 Fab light chain, ... | 著者 | Lin, F.-Y, Zhu, J, Zhu, J, Springer, T.A. | 登録日 | 2022-04-01 | 公開日 | 2022-08-17 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.36994433 Å) | 主引用文献 | A general chemical principle for creating closure-stabilizing integrin inhibitors. Cell, 185, 2022
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7UKO
| Integrin alaphIIBbeta3 complex with sibrafiban (Mn) | 分子名称: | 10E5 Fab heavy chain, 10E5 Fab light chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Lin, F.-Y, Zhu, J, Zhu, J, Springer, T.A. | 登録日 | 2022-04-01 | 公開日 | 2022-08-17 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.604 Å) | 主引用文献 | A general chemical principle for creating closure-stabilizing integrin inhibitors. Cell, 185, 2022
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2ZEU
| S. Cerevisiae Geranylgeranyl Pyrophosphate Synthase in Complex with BPH-715 | 分子名称: | 3-(DECYLOXY)-1-(2,2-DIPHOSPHONOETHYL)PYRIDINIUM, Geranylgeranyl pyrophosphate synthetase | 著者 | Guo, R.T, Chen, C.K.-M, Cao, R, Oldfield, E, Wang, A.H.-J. | 登録日 | 2007-12-17 | 公開日 | 2008-12-23 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Lipophilic bisphosphonates as dual farnesyl/geranylgeranyl diphosphate synthase inhibitors: an X-ray and NMR investigation J.Am.Chem.Soc., 131, 2009
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2ZEV
| S. Cerevisiae Geranylgeranyl Pyrophosphate Synthase in Complex with Magnesium, IPP and BPH-715 | 分子名称: | 3-(DECYLOXY)-1-(2,2-DIPHOSPHONOETHYL)PYRIDINIUM, 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, Geranylgeranyl pyrophosphate synthetase, ... | 著者 | Guo, R.T, Chen, C.K.-M, Cao, R, Oldfield, E, Wang, A.H.-J. | 登録日 | 2007-12-17 | 公開日 | 2008-12-23 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (2.23 Å) | 主引用文献 | Lipophilic bisphosphonates as dual farnesyl/geranylgeranyl diphosphate synthase inhibitors: an X-ray and NMR investigation J.Am.Chem.Soc., 131, 2009
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3TH8
| Structure of E. coli undecaprenyl diphosphate synthase complexed with BPH-1063 | 分子名称: | (2Z)-4-({3-[3-(hexyloxy)phenyl]propyl}amino)-2-hydroxy-4-oxobut-2-enoic acid, Undecaprenyl pyrophosphate synthase | 著者 | Cao, R, Zhu, W, Zhang, Y, Oldfield, E. | 登録日 | 2011-08-18 | 公開日 | 2012-07-04 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (2.114 Å) | 主引用文献 | HIV-1 Integrase Inhibitor-Inspired Antibacterials Targeting Isoprenoid Biosynthesis. ACS Med Chem Lett, 3, 2012
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7TCT
| Integrin alaphIIBbeta3 complex with UR2922 | 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, CALCIUM ION, ... | 著者 | Zhu, J, Lin, F.-Y, Zhu, J, Springer, T.A. | 登録日 | 2021-12-28 | 公開日 | 2022-08-17 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.501 Å) | 主引用文献 | A general chemical principle for creating closure-stabilizing integrin inhibitors. Cell, 185, 2022
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7TD8
| Integrin alaphIIBbeta3 complex with Tirofiban | 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, CALCIUM ION, ... | 著者 | Zhu, J, Lin, F.-Y, Zhu, J, Springer, T.A. | 登録日 | 2021-12-30 | 公開日 | 2022-08-17 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | A general chemical principle for creating closure-stabilizing integrin inhibitors. Cell, 185, 2022
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7THO
| Integrin alaphIIBbeta3 complex with Eptifibatide | 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, CALCIUM ION, ... | 著者 | Zhu, J, Lin, F.-Y, Zhu, J, Springer, T.A. | 登録日 | 2022-01-11 | 公開日 | 2022-08-17 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2.75 Å) | 主引用文献 | A general chemical principle for creating closure-stabilizing integrin inhibitors. Cell, 185, 2022
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7U9V
| Integrin alaphIIBbeta3 complex with BMS4-1 | 分子名称: | (4-{[(5S)-3-(4-carbamimidoylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl}piperazin-1-yl)acetic acid, 10E5 Fab heavy chain, 10E5 light chain, ... | 著者 | Zhu, J, Lin, F.-Y, Zhu, J, Springer, T.A. | 登録日 | 2022-03-11 | 公開日 | 2022-08-17 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.25492167 Å) | 主引用文献 | A general chemical principle for creating closure-stabilizing integrin inhibitors. Cell, 185, 2022
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7TMZ
| Integrin alaphIIBbeta3 complex with BMS compound 4 | 分子名称: | (4-{[(5S)-3-{4-[(E)-imino(4-methylpiperazin-1-yl)methyl]phenyl}-4,5-dihydro-1,2-oxazol-5-yl]methyl}piperazin-1-yl)acetic 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 | Zhu, J, Lin, F.-Y, Zhu, J, Springer, T.A. | 登録日 | 2022-01-20 | 公開日 | 2022-08-17 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.20002 Å) | 主引用文献 | A general chemical principle for creating closure-stabilizing integrin inhibitors. Cell, 185, 2022
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7TPD
| Integrin alaphIIBbeta3 complex with EF5154 | 分子名称: | (4-{[2-oxo-4-(piperidin-4-yl)piperazin-1-yl]acetyl}phenoxy)acetic 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 | Zhu, J, Lin, F.-Y, Zhu, J, Springer, T.A. | 登録日 | 2022-01-25 | 公開日 | 2022-08-17 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | A general chemical principle for creating closure-stabilizing integrin inhibitors. Cell, 185, 2022
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7JST
| Crystal structure of SARS-CoV-2 3CL in apo form | 分子名称: | 3C-like proteinase, PHOSPHATE ION | 著者 | Iketani, S, Forouhar, F, Liu, H, Hong, S.J, Lin, F.-Y, Nair, M.S, Zask, A, Huang, Y, Xing, L, Stockwell, B.R, Chavez, A, Ho, D.D. | 登録日 | 2020-08-16 | 公開日 | 2021-03-03 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Lead compounds for the development of SARS-CoV-2 3CL protease inhibitors. Nat Commun, 12, 2021
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7JT0
| Crystal structure of SARS-CoV-2 3CL protease in complex with MAC5576 | 分子名称: | 3C-like proteinase, PHOSPHATE ION, thiophene-2-carbaldehyde | 著者 | Iketani, S, Forouhar, F, Liu, H, Hong, S.J, Lin, F.-Y, Nair, M.S, Zask, A, Huang, Y, Xing, L, Stockwell, B.R, Chavez, A, Ho, D.D. | 登録日 | 2020-08-16 | 公開日 | 2021-03-10 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.73 Å) | 主引用文献 | Lead compounds for the development of SARS-CoV-2 3CL protease inhibitors. Nat Commun, 12, 2021
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7JW8
| Crystal structure of SARS-CoV-2 3CL protease in complex with compound 4 in space group P1 | 分子名称: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3C-like proteinase, ethyl (4R)-4-[[(2S)-4-methyl-2-[[(2S,3R)-3-[(2-methylpropan-2-yl)oxy]-2-(phenylmethoxycarbonylamino)butanoyl]amino]pentanoyl]amino]-5-[(3S)-2-oxidanylidenepyrrolidin-3-yl]pentanoate | 著者 | Iketani, S, Forouhar, F, Liu, H, Hong, S.J, Lin, F.-Y, Nair, M.S, Zask, A, Xing, L, Stockwell, B.R, Chavez, A, Ho, D.D. | 登録日 | 2020-08-25 | 公開日 | 2021-03-10 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.84 Å) | 主引用文献 | Lead compounds for the development of SARS-CoV-2 3CL protease inhibitors. Nat Commun, 12, 2021
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7JSU
| Crystal structure of SARS-CoV-2 3CL protease in complex with GC376 | 分子名称: | 3C-like proteinase, N~2~-[(benzyloxy)carbonyl]-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide, PHOSPHATE ION | 著者 | Iketani, S, Forouhar, F, Liu, H, Hong, S.J, Lin, F.-Y, Nair, M.S, Zask, A, Xing, L, Stockwell, B.R, Chavez, A, Ho, D.D. | 登録日 | 2020-08-16 | 公開日 | 2021-03-10 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (1.83 Å) | 主引用文献 | Lead compounds for the development of SARS-CoV-2 3CL protease inhibitors. Nat Commun, 12, 2021
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7JT7
| Crystal structure of SARS-CoV-2 3CL protease in complex with compound 4 | 分子名称: | 3C-like proteinase, ethyl (4R)-4-[[(2S)-4-methyl-2-[[(2S,3R)-3-[(2-methylpropan-2-yl)oxy]-2-(phenylmethoxycarbonylamino)butanoyl]amino]pentanoyl]amino]-5-[(3S)-2-oxidanylidenepyrrolidin-3-yl]pentanoate | 著者 | Iketani, S, Forouhar, F, Liu, H, Hong, S.J, Lin, F.-Y, Nair, M.S, Zask, A, Huang, Y, Xing, L, Stockwell, B.R, Chavez, A, Ho, D.D. | 登録日 | 2020-08-17 | 公開日 | 2021-03-17 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.94 Å) | 主引用文献 | Lead compounds for the development of SARS-CoV-2 3CL protease inhibitors. Nat Commun, 12, 2021
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