4MX0
 
 | | Shanghai N9-peramivir | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-(1-ACETYLAMINO-2-ETHYL-BUTYL)-4-GUANIDINO-2-HYDROXY-CYCLOPENTANECARBOXYLIC ACID, CALCIUM ION, ... | | Authors: | Wu, Y, Qi, J.X, Gao, F, Gao, G.F. | | Deposit date: | 2013-09-25 | | Release date: | 2013-11-20 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.101 Å) | | Cite: | 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 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-(1-ACETYLAMINO-2-ETHYL-BUTYL)-4-GUANIDINO-2-HYDROXY-CYCLOPENTANECARBOXYLIC ACID, CALCIUM ION, ... | | Authors: | Wu, Y, Qi, J.X, Gao, F, Gao, G.F. | | Deposit date: | 2013-09-25 | | Release date: | 2013-11-20 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Characterization of two distinct neuraminidases from avian-origin human-infecting H7N9 influenza viruses
Cell Res., 23, 2013
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4MWL
 | | Shanghai N9 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Neuraminidase, ... | | Authors: | Wu, Y, Qi, J.X, Gao, F, Gao, G.F. | | Deposit date: | 2013-09-25 | | Release date: | 2013-11-20 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | 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 | | Descriptor: | 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, ... | | Authors: | Wu, Y, Qi, J.X, Gao, F, Gao, G.F. | | Deposit date: | 2013-09-25 | | Release date: | 2013-11-20 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.799 Å) | | Cite: | 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 | | Descriptor: | 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, ... | | Authors: | Wu, Y, Qi, J.X, Gao, F, Gao, G.F. | | Deposit date: | 2013-09-25 | | Release date: | 2013-11-20 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Characterization of two distinct neuraminidases from avian-origin human-infecting H7N9 influenza viruses
Cell Res., 23, 2013
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7YKV
 | | The structure of archaeal nuclease RecJ2 from Methanocaldococcus jannaschii | | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, [5-(6-aminopurin-9-yl)-2-(hydroxymethyl)furan-3-yl] [5-(6-aminopurin-9-yl)-3-oxidanyl-furan-2-yl]methyl hydrogen phosphate, ... | | Authors: | Wang, W.W, Liu, X.P. | | Deposit date: | 2022-07-24 | | Release date: | 2023-07-26 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (2.04 Å) | | Cite: | The structure of archaeal nuclease RecJ2 from Methanocaldococcus jannaschii
To Be Published
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7YOQ
 | | Recj2 and CMP complex from Methanocaldococcus jannaschii | | Descriptor: | [5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3,4-bis(oxidanyl)furan-2-yl]methyl dihydrogen phosphate, nuclease RecJ2 | | Authors: | Wang, W.W, Liu, X.P. | | Deposit date: | 2022-08-02 | | Release date: | 2023-08-02 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (2.265 Å) | | Cite: | The structure of nuclease RecJ2 from Methanocaldococcus jannaschii
To Be Published
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7YOS
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7YOR
 | | Recj2 and dCMP complex from Methanocaldococcus jannaschii | | Descriptor: | 1,2-ETHANEDIOL, [5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3-oxidanyl-furan-2-yl]methyl dihydrogen phosphate, archaeal nuclease RecJ2 | | Authors: | Wang, W.W, Liu, X.P. | | Deposit date: | 2022-08-02 | | Release date: | 2023-08-02 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (2.53 Å) | | Cite: | The structure of nuclease RecJ2 from Methanocaldococcus jannaschii
To Be Published
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5HNV
 | | Crystal structure of PpkA | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, GLYCEROL, MAGNESIUM ION, ... | | Authors: | Li, P.P, Ran, T.T, Wang, W.W. | | Deposit date: | 2016-01-19 | | Release date: | 2017-01-25 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.41 Å) | | Cite: | 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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6JOQ
 | | Crystal structures of phage NrS-1 N300-dNTPs-Mg2+ complex provide molecular mechanisms for substrate specificity | | Descriptor: | 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Primase | | Authors: | Guo, H.J, Li, M.J, Wu, H, Yu, F, He, J.H. | | Deposit date: | 2019-03-22 | | Release date: | 2019-06-26 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | 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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3NSS
 | | The 2009 pandemic H1N1 neuraminidase N1 lacks the 150-cavity in its active sites | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, CALCIUM ION, ... | | Authors: | Li, Q, Qi, J.X, Zhang, W, Vavricka, C.J, Shi, Y, Gao, G.F. | | Deposit date: | 2010-07-02 | | Release date: | 2010-09-22 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.902 Å) | | Cite: | The 2009 pandemic H1N1 neuraminidase N1 lacks the 150-cavity in its active site
Nat.Struct.Mol.Biol., 17, 2010
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6LTK
 | | HSP90 in complex with SNX-2112 | | Descriptor: | 4-[6,6-dimethyl-4-oxidanylidene-3-(trifluoromethyl)-5,7-dihydroindazol-1-yl]-2-[(4-oxidanylcyclohexyl)amino]benzamide, Heat shock protein HSP 90-alpha | | Authors: | Cao, H.L. | | Deposit date: | 2020-01-22 | | Release date: | 2021-01-27 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.141 Å) | | Cite: | 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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6IGB
 | | the structure of Pseudomonas aeruginosa Periplasmic gluconolactonase, PpgL | | Descriptor: | ACETATE ION, Periplasmic gluconolactonase, PpgL, ... | | Authors: | Song, Y.J, Shen, Y.L, Wang, K.L, Li, T, Zhu, Y.B, Li, C.C, He, L.H, Zhao, N.L, Zhao, C, Yang, J, Huang, Q, Mu, X.Y. | | Deposit date: | 2018-09-25 | | Release date: | 2018-11-21 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.651 Å) | | Cite: | Structural and Functional Insights into PpgL, a Metal-Independent beta-Propeller Gluconolactonase That Contributes toPseudomonas aeruginosaVirulence.
Infect.Immun., 87, 2019
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6LR9
 | | HSP90 in complex with Debio0932 | | Descriptor: | 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 | | Authors: | Cao, H.L. | | Deposit date: | 2020-01-15 | | Release date: | 2021-01-13 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.196 Å) | | Cite: | 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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6LT8
 | | HSP90 in complex with KW-2478 | | Descriptor: | 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 | | Authors: | Cao, H.L. | | Deposit date: | 2020-01-21 | | Release date: | 2021-01-27 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.593 Å) | | Cite: | 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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2REU
 | | Crystal Structure of the C-terminal of Sau3AI fragment | | Descriptor: | MAGNESIUM ION, Type II restriction enzyme Sau3AI | | Authors: | Hu, X, Yu, F, Xu, C, He, J. | | Deposit date: | 2007-09-27 | | Release date: | 2008-09-30 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal structure and function of C-terminal Sau3AI domain
Biochim.Biophys.Acta, 1794, 2009
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4DXW
 | | Crystal structure of NavRh, a voltage-gated sodium channel | | Descriptor: | 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, CALCIUM ION, Ion transport protein, ... | | Authors: | Zhang, X, Ren, W.L, Yan, C.Y, Wang, J.W, Yan, N. | | Deposit date: | 2012-02-28 | | Release date: | 2012-05-23 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (3.052 Å) | | Cite: | 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 | | Descriptor: | Beta-secretase 1, CHLORIDE ION, N-[(1S,2R)-1-BENZYL-3-(CYCLOPROPYLAMINO)-2-HYDROXYPROPYL]-5-[METHYL(METHYLSULFONYL)AMINO]-N'-[(1R)-1-PHENYLETHYL]ISOPHTHALAMIDE, ... | | Authors: | Xu, Y.C, Li, M.J, Greenblatt, H, Chen, T.T, Silman, I, Sussman, J.L. | | Deposit date: | 2011-09-08 | | Release date: | 2011-11-23 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | 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 | | Descriptor: | Beta-secretase 1, CHLORIDE ION, SULFATE ION | | Authors: | Xu, Y.C, Li, M.J, Greenblatt, H, Chen, T.T, Silman, I, Sussman, J.L. | | Deposit date: | 2011-09-08 | | Release date: | 2011-11-23 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | 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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3TPJ
 | | APO structure of BACE1 | | Descriptor: | Beta-secretase 1, CHLORIDE ION, SULFATE ION, ... | | Authors: | Xu, Y.C, Li, M.J, Greenblatt, H, Chen, T.T, Silman, I, Sussman, J.L. | | Deposit date: | 2011-09-08 | | Release date: | 2011-11-23 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.61 Å) | | Cite: | 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 | | Descriptor: | Beta-secretase 1, CHLORIDE ION, N-[(1S,2R)-1-BENZYL-3-(CYCLOPROPYLAMINO)-2-HYDROXYPROPYL]-5-[METHYL(METHYLSULFONYL)AMINO]-N'-[(1R)-1-PHENYLETHYL]ISOPHTHALAMIDE | | Authors: | Xu, Y.C, Li, M.J, Greenblatt, H, Chen, T.T, Silman, I, Sussman, J.L. | | Deposit date: | 2011-09-08 | | Release date: | 2011-11-23 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | 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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5CF0
 | | Crystal Structure of the human Hsp90-alpha N-domain bound to the hsp90 inhibitor FJ6 | | Descriptor: | 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 | | Authors: | Li, J, Shi, F, Xiong, B, He, J.H. | | Deposit date: | 2015-07-08 | | Release date: | 2016-07-13 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | 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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8WPW
 | | Cryo-EM structure of SARS-CoV-2 XBB.1.5 receptor-binding domain (RBD) complexed with CB6 mutant,S309, and S304 antibodies | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CB6 fab mutant heavy chain, CB6 fab mutant light chain, ... | | Authors: | Su, C, Qi, J.X, Gao, G.F. | | Deposit date: | 2023-10-10 | | Release date: | 2024-10-16 | | Method: | ELECTRON MICROSCOPY (2.49 Å) | | Cite: | An improved design method enables the ineffective etesevimab broadly and efficiently against SARS-CoV-2 Omicron subvariants
To Be Published
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8WPY
 | | Cryo-EM structure of SARS-CoV-2 receptor-binding domain (RBD) complexed with CB6 mutant,S309, and S304 antibodies | | Descriptor: | CB6 fab mutant heavy chain, CB6 fab mutant light chain, S304 fab heavy chain, ... | | Authors: | Su, C, Qi, J.X, Gao, G.F. | | Deposit date: | 2023-10-10 | | Release date: | 2024-10-16 | | Method: | ELECTRON MICROSCOPY (3.02 Å) | | Cite: | An improved design method enables the ineffective etesevimab broadly and efficiently against SARS-CoV-2 Omicron subvariants
To Be Published
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