5DP3
| Crystal Structure of EV71 3C Proteinase in complex with compound 2 | Descriptor: | 3C proteinase, ethyl (4S)-5-[(3S)-2-oxopyrrolidin-3-yl]-4-[(3-phenylpropanoyl)amino]pent-2-enoate | Authors: | Wu, C, Zhang, L, Li, P, Cai, Q, Peng, X, Li, N, Cai, Y, Li, J, Lin, T. | Deposit date: | 2015-09-12 | Release date: | 2016-03-30 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Fragment-wise design of inhibitors to 3C proteinase from enterovirus 71 Biochim.Biophys.Acta, 1860, 2016
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5DP6
| Crystal Structure of EV71 3C Proteinase in complex with compound 7 | Descriptor: | 3C proteinase, ethyl (2Z,4S)-4-{[N-(3-cyclopropylpropanoyl)-L-phenylalanyl]amino}-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate | Authors: | Wu, C, Zhang, L, Li, P, Cai, Q, Peng, X, Li, N, Cai, Y, Li, J, Lin, T. | Deposit date: | 2015-09-12 | Release date: | 2016-03-30 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (3.01 Å) | Cite: | Fragment-wise design of inhibitors to 3C proteinase from enterovirus 71 Biochim.Biophys.Acta, 1860, 2016
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7N64
| SARS-CoV-2 Spike (2P) in complex with G32R7 Fab (RBD and NTD local reconstruction) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, G32R7 Fab heavy chain, ... | Authors: | Windsor, I.W, Jenni, S, Tong, P, Gautam, A.K, Wesemann, D.R, Harrison, S.C. | Deposit date: | 2021-06-07 | Release date: | 2021-08-04 | Method: | ELECTRON MICROSCOPY (4.2 Å) | Cite: | Memory B cell repertoire for recognition of evolving SARS-CoV-2 spike. Biorxiv, 2021
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7N62
| SARS-CoV-2 Spike (2P) in complex with C12C9 Fab (NTD local reconstruction) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, C12C9 Fab heavy chain, C12C9 Fab light chain, ... | Authors: | Windsor, I.W, Jenni, S, Bajic, G, Tong, P, Gautam, A.K, Wesemann, D.R, Harrison, S.C. | Deposit date: | 2021-06-07 | Release date: | 2021-08-04 | Method: | ELECTRON MICROSCOPY (4 Å) | Cite: | Memory B cell repertoire for recognition of evolving SARS-CoV-2 spike. Biorxiv, 2021
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7TO4
| Structural and functional impact by SARS-CoV-2 Omicron spike mutations | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Zhang, J, Xiao, T.S, Cai, Y.F, Peng, H.Q, Volloch, S.R, Chen, B. | Deposit date: | 2022-01-22 | Release date: | 2022-02-16 | Last modified: | 2022-05-11 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Structural and functional impact by SARS-CoV-2 Omicron spike mutations. Cell Rep, 39, 2022
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7TNW
| Structural and functional impact by SARS-CoV-2 Omicron spike mutations | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Zhang, J, Xiao, T.S, Cai, Y.F, Peng, H.Q, Volloch, S.R, Chen, B. | Deposit date: | 2022-01-21 | Release date: | 2022-02-16 | Last modified: | 2022-05-11 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Structural and functional impact by SARS-CoV-2 Omicron spike mutations. Cell Rep, 39, 2022
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5M1T
| PaMucR Phosphodiesterase, c-di-GMP complex | Descriptor: | 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), MAGNESIUM ION, MucR Phosphodiesterase | Authors: | Hutchin, A, Tews, I, Walsh, M.A. | Deposit date: | 2016-10-10 | Release date: | 2017-03-01 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.27 Å) | Cite: | Dimerisation induced formation of the active site and the identification of three metal sites in EAL-phosphodiesterases. Sci Rep, 7, 2017
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5MF5
| PA3825-EAL Mg-CdG Structure | Descriptor: | 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), Diguanylate phosphodiesterase, MAGNESIUM ION | Authors: | Horrell, S, Bellini, D, Strange, R, Wagner, A, Walsh, M. | Deposit date: | 2016-11-17 | Release date: | 2016-12-21 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | Dimerisation induced formation of the active site and the identification of three metal sites in EAL-phosphodiesterases. Sci Rep, 7, 2017
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5MFU
| PA3825-EAL Mn-pGpG Structure | Descriptor: | Diguanylate phosphodiesterase, GUANOSINE-5'-MONOPHOSPHATE, MANGANESE (II) ION, ... | Authors: | Horrell, S, Bellini, D, Strange, R, Wagner, A, Walsh, M. | Deposit date: | 2016-11-18 | Release date: | 2017-03-01 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Dimerisation induced formation of the active site and the identification of three metal sites in EAL-phosphodiesterases. Sci Rep, 7, 2017
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5MKG
| PA3825-EAL Ca-CdG Structure | Descriptor: | 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), CALCIUM ION, Diguanylate phosphodiesterase | Authors: | Horrell, S, Bellini, D, Strange, R, Wagner, A, Walsh, M. | Deposit date: | 2016-12-04 | Release date: | 2016-12-14 | Last modified: | 2023-03-22 | Method: | X-RAY DIFFRACTION (2.44 Å) | Cite: | Dimerisation induced formation of the active site and the identification of three metal sites in EAL-phosphodiesterases. Sci Rep, 7, 2017
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7W2Z
| Cryo-EM structure of the ghrelin-bound human ghrelin receptor-Go complex | Descriptor: | Appetite-regulating hormone, CHOLESTEROL, Growth hormone secretagogue receptor type 1, ... | Authors: | Qin, J, Ming, Q, Ji, S, Mao, C, Shen, D, Zhang, Y. | Deposit date: | 2021-11-24 | Release date: | 2022-01-19 | Last modified: | 2022-02-16 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | Molecular mechanism of agonism and inverse agonism in ghrelin receptor. Nat Commun, 13, 2022
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4Y9M
| PA3825-EAL Metal-Free-Apo Structure | Descriptor: | PA3825-EAL, PHOSPHATE ION | Authors: | Bellini, D, Horrell, S, Wagner, A, Strange, R, Walsh, M.A. | Deposit date: | 2015-02-17 | Release date: | 2016-03-09 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Dimerisation induced formation of the active site and the identification of three metal sites in EAL-phosphodiesterases. Sci Rep, 7, 2017
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4Y9P
| PA3825-EAL Ca-CdG Structure | Descriptor: | 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), CALCIUM ION, PA3825-EAL | Authors: | Bellini, D, Horrell, S, Wagner, A, Strange, R, Walsh, M.A. | Deposit date: | 2015-02-17 | Release date: | 2016-03-09 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.44 Å) | Cite: | MucR and PA3825 EAL-phosphodiesterase domains from Pseudomonas aeruginosa suggest roles for three metals in the active site To Be Published
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8FDW
| Cryo-EM structure of SARS-CoV-2 postfusion spike in membrane | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S2, ... | Authors: | Zhang, J, Shi, W, Cai, Y.F, Zhu, H.S, Peng, H.Q, Voyer, J, Volloch, S.R, Cao, H, Mayer, M.L, Song, K.K, Xu, C, Lu, J.M, Chen, B. | Deposit date: | 2022-12-05 | Release date: | 2023-05-10 | Last modified: | 2023-07-26 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Cryo-EM structure of SARS-CoV-2 postfusion spike in membrane. Nature, 619, 2023
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4DQH
| Crystal Structure of (R14C/E65C) HIV-1 Protease in complex with DRV | Descriptor: | (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, GLYCEROL, Wild-type HIV-1 protease dimer | Authors: | Schiffer, C.A, Mittal, S. | Deposit date: | 2012-02-15 | Release date: | 2012-03-07 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Hydrophobic core flexibility modulates enzyme activity in HIV-1 protease. J.Am.Chem.Soc., 134, 2012
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4DQB
| Crystal Structure of wild-type HIV-1 Protease in Complex with DRV | Descriptor: | (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, 1,2-ETHANEDIOL, Aspartyl protease, ... | Authors: | Schiffer, C.A, Mittal, S. | Deposit date: | 2012-02-15 | Release date: | 2012-03-07 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Hydrophobic core flexibility modulates enzyme activity in HIV-1 protease. J.Am.Chem.Soc., 134, 2012
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4DQC
| Crystal Structure of (G16C/L38C) HIV-1 Protease in Complex with DRV | Descriptor: | (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, Aspartyl protease, GLYCEROL, ... | Authors: | Schiffer, C.A, Mittal, S. | Deposit date: | 2012-02-15 | Release date: | 2012-03-07 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Hydrophobic core flexibility modulates enzyme activity in HIV-1 protease. J.Am.Chem.Soc., 134, 2012
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4DQG
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4DQF
| Crystal Structure of (G16A/L38A) HIV-1 Protease in Complex with DRV | Descriptor: | (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, 1,2-ETHANEDIOL, Aspartyl protease, ... | Authors: | Schiffer, C.A, Mittal, S. | Deposit date: | 2012-02-15 | Release date: | 2012-03-07 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Hydrophobic core flexibility modulates enzyme activity in HIV-1 protease. J.Am.Chem.Soc., 134, 2012
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4DQE
| Crystal Structure of (G16C/L38C) HIV-1 Protease in Complex with DRV | Descriptor: | (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, ACETATE ION, Aspartyl protease | Authors: | Schiffer, C.A, Mittal, S. | Deposit date: | 2012-02-15 | Release date: | 2012-03-07 | Last modified: | 2017-11-15 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Hydrophobic core flexibility modulates enzyme activity in HIV-1 protease. J.Am.Chem.Soc., 134, 2012
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5GUT
| The crystal structure of mouse DNMT1 (731-1602) mutant - N1248A | Descriptor: | DNA (cytosine-5)-methyltransferase 1, S-ADENOSYL-L-HOMOCYSTEINE, SULFATE ION, ... | Authors: | Chen, S.J, Ye, F. | Deposit date: | 2016-08-31 | Release date: | 2017-09-06 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.099 Å) | Cite: | Biochemical Studies and Molecular Dynamic Simulations Reveal the Molecular Basis of Conformational Changes in DNA Methyltransferase-1. ACS Chem. Biol., 13, 2018
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5GUV
| The crystal structure of mouse DNMT1 (731-1602) mutant - R1279D | Descriptor: | DNA (cytosine-5)-methyltransferase 1, ZINC ION | Authors: | Ye, F, Chen, S.J. | Deposit date: | 2016-08-31 | Release date: | 2017-08-30 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (3.078 Å) | Cite: | Biochemical Studies and Molecular Dynamic Simulations Reveal the Molecular Basis of Conformational Changes in DNA Methyltransferase-1. ACS Chem. Biol., 13, 2018
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8AZT
| Type II amyloid-beta 42 filaments from high-spin supernatants of aqueous extracts from Alzheimer's disease brains | ABeta42 | Descriptor: | Amyloid-beta precursor protein | Authors: | Yang, Y, Stern, M.A, Meunier, L.A, Liu, W, Cai, Y.Q, Ericsson, M, Liu, L, Selkoe, J.D, Goedert, M, Scheres, H.W.S. | Deposit date: | 2022-09-06 | Release date: | 2022-11-02 | Last modified: | 2023-07-19 | Method: | ELECTRON MICROSCOPY (3.7 Å) | Cite: | Abundant A beta fibrils in ultracentrifugal supernatants of aqueous extracts from Alzheimer's disease brains. Neuron, 111, 2023
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4GH6
| Crystal structure of the PDE9A catalytic domain in complex with inhibitor 28 | Descriptor: | High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A, MAGNESIUM ION, N-(4-methoxyphenyl)-N~2~-[1-(2-methylphenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]-L-alaninamide, ... | Authors: | Hou, J, Ke, H. | Deposit date: | 2012-08-07 | Release date: | 2012-10-03 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structure-Based Discovery of Highly Selective Phosphodiesterase-9A Inhibitors and Implications for Inhibitor Design. J.Med.Chem., 55, 2012
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7KJ3
| SARS-CoV-2 Spike Glycoprotein with two ACE2 Bound | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, ... | Authors: | Zhang, J, Xiao, T.S, Cai, Y.F, Chen, B. | Deposit date: | 2020-10-25 | Release date: | 2020-11-11 | Last modified: | 2021-02-24 | Method: | ELECTRON MICROSCOPY (3.7 Å) | Cite: | A trimeric human angiotensin-converting enzyme 2 as an anti-SARS-CoV-2 agent. Nat.Struct.Mol.Biol., 28, 2021
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