4MWJ
| Anhui N9 | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Neuraminidase, ... | 著者 | Wu, Y, Qi, J.X, Gao, F, Gao, G.F. | 登録日 | 2013-09-25 | 公開日 | 2013-11-20 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Characterization of two distinct neuraminidases from avian-origin human-infecting H7N9 influenza viruses Cell Res., 23, 2013
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4MWW
| Shanghai N9-oseltamivir carboxylate | 分子名称: | (3R,4R,5S)-4-(acetylamino)-5-amino-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | 著者 | Wu, Y, Qi, J.X, Gao, F, Gao, G.F. | 登録日 | 2013-09-25 | 公開日 | 2013-11-20 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Characterization of two distinct neuraminidases from avian-origin human-infecting H7N9 influenza viruses Cell Res., 23, 2013
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4MWQ
| Anhui N9-oseltamivir carboxylate | 分子名称: | (3R,4R,5S)-4-(acetylamino)-5-amino-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | 著者 | Wu, Y, Qi, J.X, Gao, F, Gao, G.F. | 登録日 | 2013-09-25 | 公開日 | 2013-11-20 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Characterization of two distinct neuraminidases from avian-origin human-infecting H7N9 influenza viruses Cell Res., 23, 2013
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6LTK
| HSP90 in complex with SNX-2112 | 分子名称: | 4-[6,6-dimethyl-4-oxidanylidene-3-(trifluoromethyl)-5,7-dihydroindazol-1-yl]-2-[(4-oxidanylcyclohexyl)amino]benzamide, Heat shock protein HSP 90-alpha | 著者 | Cao, H.L. | 登録日 | 2020-01-22 | 公開日 | 2021-01-27 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.141 Å) | 主引用文献 | Complex Crystal Structure Determination and in vitro Anti-non-small Cell Lung Cancer Activity of Hsp90 N Inhibitor SNX-2112. Front Cell Dev Biol, 9, 2021
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5X1R
| PpkA-294 apo form | 分子名称: | PpkA-294 | 著者 | Li, P.P, Ran, T.T, Xu, D.Q, Wang, W.W. | 登録日 | 2017-01-26 | 公開日 | 2018-01-31 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Crystal structures of the kinase domain of PpkA, a key regulatory component of T6SS, reveal a general inhibitory mechanism. Biochem.J., 475, 2018
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4MWL
| Shanghai N9 | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Neuraminidase, ... | 著者 | Wu, Y, Qi, J.X, Gao, F, Gao, G.F. | 登録日 | 2013-09-25 | 公開日 | 2013-11-20 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Characterization of two distinct neuraminidases from avian-origin human-infecting H7N9 influenza viruses Cell Res., 23, 2013
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4MX0
| Shanghai N9-peramivir | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-(1-ACETYLAMINO-2-ETHYL-BUTYL)-4-GUANIDINO-2-HYDROXY-CYCLOPENTANECARBOXYLIC ACID, CALCIUM ION, ... | 著者 | Wu, Y, Qi, J.X, Gao, F, Gao, G.F. | 登録日 | 2013-09-25 | 公開日 | 2013-11-20 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (2.101 Å) | 主引用文献 | Characterization of two distinct neuraminidases from avian-origin human-infecting H7N9 influenza viruses Cell Res., 23, 2013
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4MWU
| Anhui N9-laninamivir | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 5-acetamido-2,6-anhydro-4-carbamimidamido-3,4,5-trideoxy-7-O-methyl-D-glycero-D-galacto-non-2-enonic acid, CALCIUM ION, ... | 著者 | Wu, Y, Qi, J.X, Gao, F, Gao, G.F. | 登録日 | 2013-09-25 | 公開日 | 2013-11-20 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (1.799 Å) | 主引用文献 | Characterization of two distinct neuraminidases from avian-origin human-infecting H7N9 influenza viruses Cell Res., 23, 2013
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4MWV
| Anhui N9-peramivir | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-(1-ACETYLAMINO-2-ETHYL-BUTYL)-4-GUANIDINO-2-HYDROXY-CYCLOPENTANECARBOXYLIC ACID, CALCIUM ION, ... | 著者 | Wu, Y, Qi, J.X, Gao, F, Gao, G.F. | 登録日 | 2013-09-25 | 公開日 | 2013-11-20 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Characterization of two distinct neuraminidases from avian-origin human-infecting H7N9 influenza viruses Cell Res., 23, 2013
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4MWY
| Shanghai N9-laninamivir | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 5-acetamido-2,6-anhydro-4-carbamimidamido-3,4,5-trideoxy-7-O-methyl-D-glycero-D-galacto-non-2-enonic acid, CALCIUM ION, ... | 著者 | Wu, Y, Qi, J.X, Gao, F, Gao, G.F. | 登録日 | 2013-09-25 | 公開日 | 2013-11-20 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Characterization of two distinct neuraminidases from avian-origin human-infecting H7N9 influenza viruses Cell Res., 23, 2013
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3TPJ
| APO structure of BACE1 | 分子名称: | Beta-secretase 1, CHLORIDE ION, SULFATE ION, ... | 著者 | Xu, Y.C, Li, M.J, Greenblatt, H, Chen, T.T, Silman, I, Sussman, J.L. | 登録日 | 2011-09-08 | 公開日 | 2011-11-23 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (1.61 Å) | 主引用文献 | Flexibility of the flap in the active site of BACE1 as revealed by crystal structures and molecular dynamics simulations Acta Crystallogr.,Sect.D, 68, 2012
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3TPR
| Crystal structure of BACE1 complexed with an inhibitor | 分子名称: | Beta-secretase 1, CHLORIDE ION, N-[(1S,2R)-1-BENZYL-3-(CYCLOPROPYLAMINO)-2-HYDROXYPROPYL]-5-[METHYL(METHYLSULFONYL)AMINO]-N'-[(1R)-1-PHENYLETHYL]ISOPHTHALAMIDE | 著者 | Xu, Y.C, Li, M.J, Greenblatt, H, Chen, T.T, Silman, I, Sussman, J.L. | 登録日 | 2011-09-08 | 公開日 | 2011-11-23 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (2.55 Å) | 主引用文献 | Flexibility of the flap in the active site of BACE1 as revealed by crystal structures and molecular dynamics simulations Acta Crystallogr.,Sect.D, 68, 2012
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3TPL
| APO Structure of BACE1 | 分子名称: | Beta-secretase 1, CHLORIDE ION, SULFATE ION | 著者 | Xu, Y.C, Li, M.J, Greenblatt, H, Chen, T.T, Silman, I, Sussman, J.L. | 登録日 | 2011-09-08 | 公開日 | 2011-11-23 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Flexibility of the flap in the active site of BACE1 as revealed by crystal structures and molecular dynamics simulations Acta Crystallogr.,Sect.D, 68, 2012
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6LT8
| HSP90 in complex with KW-2478 | 分子名称: | 2-[2-ethyl-6-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]carbonyl-3,5-bis(oxidanyl)phenyl]-~{N},~{N}-bis(2-methoxyethyl)ethanamide, Heat shock protein HSP 90-alpha | 著者 | Cao, H.L. | 登録日 | 2020-01-21 | 公開日 | 2021-01-27 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.593 Å) | 主引用文献 | Anti-NSCLC activity in vitro of Hsp90 N inhibitor KW-2478 and complex crystal structure determination of Hsp90 N -KW-2478. J.Struct.Biol., 213, 2021
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6LR9
| HSP90 in complex with Debio0932 | 分子名称: | 2-[[6-(dimethylamino)-1,3-benzodioxol-5-yl]sulfanyl]-1-[2-(2,2-dimethylpropylamino)ethyl]imidazo[4,5-c]pyridin-4-amine, GLYCEROL, Heat shock protein HSP 90-alpha | 著者 | Cao, H.L. | 登録日 | 2020-01-15 | 公開日 | 2021-01-13 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.196 Å) | 主引用文献 | Complex crystal structure determination and anti-non-small-cell lung cancer activity of the Hsp90 N inhibitor Debio0932. Acta Crystallogr D Struct Biol, 77, 2021
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5CF0
| Crystal Structure of the human Hsp90-alpha N-domain bound to the hsp90 inhibitor FJ6 | 分子名称: | Heat shock protein HSP 90-alpha, N-{3-[2,4-dihydroxy-5-(isoquinolin-4-yl)phenyl]-4-(4-methoxyphenyl)-1,2-oxazol-5-yl}cyclopropanecarboxamide | 著者 | Li, J, Shi, F, Xiong, B, He, J.H. | 登録日 | 2015-07-08 | 公開日 | 2016-07-13 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | FS23 binds to the N-terminal domain of human Hsp90: A novel small inhibitor for Hsp90 Nucl.Sci.Tech., 26, 2015
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4DXW
| Crystal structure of NavRh, a voltage-gated sodium channel | 分子名称: | 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, CALCIUM ION, Ion transport protein, ... | 著者 | Zhang, X, Ren, W.L, Yan, C.Y, Wang, J.W, Yan, N. | 登録日 | 2012-02-28 | 公開日 | 2012-05-23 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (3.052 Å) | 主引用文献 | Crystal structure of an orthologue of the NaChBac voltage-gated sodium channel Nature, 486, 2012
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3TPP
| Crystal structure of BACE1 complexed with an inhibitor | 分子名称: | Beta-secretase 1, CHLORIDE ION, N-[(1S,2R)-1-BENZYL-3-(CYCLOPROPYLAMINO)-2-HYDROXYPROPYL]-5-[METHYL(METHYLSULFONYL)AMINO]-N'-[(1R)-1-PHENYLETHYL]ISOPHTHALAMIDE, ... | 著者 | Xu, Y.C, Li, M.J, Greenblatt, H, Chen, T.T, Silman, I, Sussman, J.L. | 登録日 | 2011-09-08 | 公開日 | 2011-11-23 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Flexibility of the flap in the active site of BACE1 as revealed by crystal structures and molecular dynamics simulations Acta Crystallogr.,Sect.D, 68, 2012
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6IDE
| Crystal structure of the Vibrio cholera VqmA-Ligand-DNA complex provides molecular mechanisms for drug design | 分子名称: | 3,5-dimethylpyrazin-2-ol, DNA (5'-D(*AP*GP*GP*GP*GP*GP*GP*AP*AP*AP*TP*CP*CP*CP*CP*CP*CP*T)-3'), DNA (5'-D(*AP*GP*GP*GP*GP*GP*GP*AP*TP*TP*TP*CP*CP*CP*CP*CP*CP*T)-3'), ... | 著者 | Wu, H, Li, M.J, Guo, H.J, Zhou, H, Li, B, Xu, Q, Xu, C.Y, Yu, F, He, J.H. | 登録日 | 2018-09-09 | 公開日 | 2019-01-16 | 最終更新日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (2.51 Å) | 主引用文献 | Crystal structure of theVibrio choleraeVqmA-ligand-DNA complex provides insight into ligand-binding mechanisms relevant for drug design. J. Biol. Chem., 294, 2019
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6JON
| Crystal structures of phage NrS-1 N300-dNTPs-Mg2+ complex provide molecular mechanisms for substrate specificity | 分子名称: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, MAGNESIUM ION, Primase | 著者 | Guo, H.J, Li, M.J, Wu, H, Yu, F, He, J.H. | 登録日 | 2019-03-22 | 公開日 | 2019-06-26 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.34 Å) | 主引用文献 | Crystal structures of phage NrS-1 N300-dNTPs-Mg2+complex provide molecular mechanisms for substrate specificity. Biochem.Biophys.Res.Commun., 515, 2019
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6JOP
| Crystal structures of phage NrS-1 N300-dNTPs-Mg2+ complex provide molecular mechanisms for substrate specificity | 分子名称: | MAGNESIUM ION, Primase, THYMIDINE-5'-TRIPHOSPHATE | 著者 | Guo, H.J, Li, M.J, Wu, H, Yu, F, He, J.H. | 登録日 | 2019-03-22 | 公開日 | 2019-06-26 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.353 Å) | 主引用文献 | Crystal structures of phage NrS-1 N300-dNTPs-Mg2+complex provide molecular mechanisms for substrate specificity. Biochem.Biophys.Res.Commun., 515, 2019
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6JOQ
| Crystal structures of phage NrS-1 N300-dNTPs-Mg2+ complex provide molecular mechanisms for substrate specificity | 分子名称: | 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Primase | 著者 | Guo, H.J, Li, M.J, Wu, H, Yu, F, He, J.H. | 登録日 | 2019-03-22 | 公開日 | 2019-06-26 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Crystal structures of phage NrS-1 N300-dNTPs-Mg2+complex provide molecular mechanisms for substrate specificity. Biochem.Biophys.Res.Commun., 515, 2019
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7C0P
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7C09
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6KKL
| Crystal structure of Drug:Proton Antiporter-1 (DHA1) Family SotB, in the inward conformation (H115N mutant) | 分子名称: | Sugar efflux transporter, nonyl beta-D-glucopyranoside | 著者 | Xiao, Q.J, Sun, B, Zuo, Y.X, Guo, L, He, J.H, Deng, D. | 登録日 | 2019-07-26 | 公開日 | 2020-07-29 | 最終更新日 | 2022-03-23 | 実験手法 | X-RAY DIFFRACTION (2.654 Å) | 主引用文献 | Visualizing the nonlinear changes of a drug-proton antiporter from inward-open to occluded state. Biochem.Biophys.Res.Commun., 534, 2021
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