5WDF
 
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7FAY
 | | Crystal structure of SARS-CoV-2 main protease in complex with (R)-1a | | Descriptor: | (2~{R})-~{N}-[(1~{R})-2-(~{tert}-butylamino)-2-oxidanylidene-1-pyridin-3-yl-ethyl]-~{N}-(4-~{tert}-butylphenyl)-2-oxidanyl-propanamide, 3C-like proteinase | | Authors: | Zeng, R, Quan, B.X, Liu, X.L, Lei, J. | | Deposit date: | 2021-07-08 | | Release date: | 2021-07-21 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | An orally available M pro inhibitor is effective against wild-type SARS-CoV-2 and variants including Omicron.
Nat Microbiol, 7, 2022
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7FAZ
 | | Crystal structure of the SARS-CoV-2 main protease in complex with Y180 | | Descriptor: | (2~{R})-~{N}-dibenzofuran-3-yl-~{N}-[(1~{R})-2-[[(1~{S})-1-(4-fluorophenyl)ethyl]amino]-2-oxidanylidene-1-pyridin-3-yl-ethyl]-2-oxidanyl-propanamide, 3C-like proteinase, SODIUM ION | | Authors: | Zeng, R, Quan, B.X, Liu, X.L, Lei, J. | | Deposit date: | 2021-07-08 | | Release date: | 2021-07-21 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | An orally available M pro inhibitor is effective against wild-type SARS-CoV-2 and variants including Omicron.
Nat Microbiol, 7, 2022
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3RYW
 | | Crystal structure of P. vivax geranylgeranyl diphosphate synthase complexed with BPH-811 | | Descriptor: | Farnesyl pyrophosphate synthase, MAGNESIUM ION, SULFATE ION, ... | | Authors: | No, J.H, Liu, Y.-L, Zhang, Y, Oldfield, E. | | Deposit date: | 2011-05-11 | | Release date: | 2012-05-23 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Lipophilic analogs of zoledronate and risedronate inhibit Plasmodium geranylgeranyl diphosphate synthase (GGPPS) and exhibit potent antimalarial activity.
Proc.Natl.Acad.Sci.USA, 109, 2012
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3RBM
 | | Crystal structure of Plasmodium vivax geranylgeranylpyrophosphate synthase complexed with BPH -703 | | Descriptor: | 3-(2,2-diphosphonoethyl)-1-dodecyl-1H-imidazol-3-ium, Farnesyl pyrophosphate synthase, MAGNESIUM ION, ... | | Authors: | Liu, Y.L, No, J.H, Oldfield, E. | | Deposit date: | 2011-03-29 | | Release date: | 2012-02-29 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.61 Å) | | Cite: | Lipophilic analogs of zoledronate and risedronate inhibit Plasmodium geranylgeranyl diphosphate synthase (GGPPS) and exhibit potent antimalarial activity.
Proc.Natl.Acad.Sci.USA, 109, 2012
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7EAK
 | | Echovirus3 full particle in complex with 5G3 fab | | Descriptor: | Capsid protein VP1, Capsid protein VP2, Capsid protein VP3, ... | | Authors: | Feng, R. | | Deposit date: | 2021-03-07 | | Release date: | 2021-07-14 | | Method: | ELECTRON MICROSCOPY (3.9 Å) | | Cite: | Structural basis for neutralization of an anicteric hepatitis associated echovirus by a potent neutralizing antibody.
Cell Discov, 7, 2021
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7EAH
 | | Echovirus3 empty expanded particle | | Descriptor: | Capsid protein VP0, Capsid protein VP1, Capsid protein VP3 | | Authors: | Feng, R. | | Deposit date: | 2021-03-07 | | Release date: | 2021-07-14 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Structural basis for neutralization of an anicteric hepatitis associated echovirus by a potent neutralizing antibody.
Cell Discov, 7, 2021
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7EAI
 | | Echovirus3 empty compacted particle | | Descriptor: | Capsid protein VP0, Capsid protein VP1, Capsid protein VP3, ... | | Authors: | Feng, R. | | Deposit date: | 2021-03-07 | | Release date: | 2021-07-14 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | Structural basis for neutralization of an anicteric hepatitis associated echovirus by a potent neutralizing antibody.
Cell Discov, 7, 2021
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7EAJ
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3TFP
 | | Crystal Structure of Dehydrosqualene Synthase (CrtM) from S. aureus Complexed with BPH-1162 | | Descriptor: | 2-({2-chloro-6-[(2,4-dichlorophenyl)sulfanyl]benzyl}carbamoyl)benzoic acid, Dehydrosqualene synthase, MAGNESIUM ION | | Authors: | Lin, F.-Y, Liu, Y.-L, Zhang, Y, Oldfield, E. | | Deposit date: | 2011-08-16 | | Release date: | 2012-04-04 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Dual dehydrosqualene/squalene synthase inhibitors: leads for innate immune system-based therapeutics.
Chemmedchem, 7, 2012
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3TFV
 | | Crystal structure of dehydrosqualene synthase (crtm) from s. aureus complexed with bph-1154 | | Descriptor: | 5-bromo-2-{[3-(octyloxy)benzyl]sulfanyl}benzoic acid, Dehydrosqualene synthase, MAGNESIUM ION | | Authors: | Lin, F.-Y, Zhang, Y, Liu, Y.-L, Oldfield, E. | | Deposit date: | 2011-08-16 | | Release date: | 2012-04-04 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Dual dehydrosqualene/squalene synthase inhibitors: leads for innate immune system-based therapeutics.
Chemmedchem, 7, 2012
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8HHT
 | | Crystal structure of the SARS-CoV-2 main protease in complex with Hit-1 | | Descriptor: | 3C-like proteinase nsp5, DIMETHYL SULFOXIDE, ~{N}-[(2~{R},3~{S})-3-oxidanyl-4-oxidanylidene-1-phenyl-4-(1,3-thiazol-2-ylmethylamino)butan-2-yl]benzamide | | Authors: | Zeng, R, Xie, L.W, Huang, C, Wang, K, Liu, Y.Z, Yang, S.Y, Lei, J. | | Deposit date: | 2022-11-17 | | Release date: | 2023-03-29 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | A new generation M pro inhibitor with potent activity against SARS-CoV-2 Omicron variants.
Signal Transduct Target Ther, 8, 2023
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8HHU
 | | Crystal structure of the SARS-CoV-2 main protease in complex with SY110 | | Descriptor: | (1~{R})-3,3-bis(fluoranyl)-~{N}-[(2~{R})-3-methoxy-1-oxidanylidene-1-[[(2~{R},3~{S})-3-oxidanyl-4-oxidanylidene-1-phenyl-4-(1,3-thiazol-2-ylmethylamino)butan-2-yl]amino]propan-2-yl]cyclohexane-1-carboxamide, 3C-like proteinase nsp5 | | Authors: | Zeng, R, Xie, L.W, Huang, C, Wang, K, Liu, Y.Z, Yang, S.Y, Lei, J. | | Deposit date: | 2022-11-17 | | Release date: | 2023-03-29 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.258 Å) | | Cite: | A new generation M pro inhibitor with potent activity against SARS-CoV-2 Omicron variants.
Signal Transduct Target Ther, 8, 2023
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4MUX
 | | IspH in complex with pyridin-3-ylmethyl diphosphate | | Descriptor: | 4-hydroxy-3-methylbut-2-enyl diphosphate reductase, IRON/SULFUR CLUSTER, pyridin-3-ylmethyl trihydrogen diphosphate | | Authors: | Span, I, Eisenreich, W, Bacher, A, Oldfield, E, Groll, M. | | Deposit date: | 2013-09-23 | | Release date: | 2014-06-18 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Insights into the Binding of Pyridines to the Iron-Sulfur Enzyme IspH.
J.Am.Chem.Soc., 136, 2014
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4P0V
 | | Crystal structure of human farnesyl diphosphoate synthase in complex with zoledronate and taxodione | | Descriptor: | (5beta)-11-hydroxyabieta-7,9(11),13-triene-6,12-dione, Farnesyl pyrophosphate synthase, MAGNESIUM ION, ... | | Authors: | Liu, Y.L, Oldfield, E. | | Deposit date: | 2014-02-23 | | Release date: | 2014-07-02 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Taxodione and arenarone inhibit farnesyl diphosphate synthase by binding to the isopentenyl diphosphate site.
Proc.Natl.Acad.Sci.USA, 111, 2014
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5WHZ
 | | PGDM1400-10E8v4 CODV Fab | | Descriptor: | Anti-HIV CODV-Fab Heavy chain, Anti-HIV CODV-Fab Light chain | | Authors: | Lord, D.M, Wei, R.R. | | Deposit date: | 2017-07-18 | | Release date: | 2017-10-11 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (3.549 Å) | | Cite: | Trispecific broadly neutralizing HIV antibodies mediate potent SHIV protection in macaques.
Science, 358, 2017
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4P0X
 | | Human farnesyl diphosphate synthase in complex with Taxodione | | Descriptor: | (5beta)-11-hydroxyabieta-7,9(11),13-triene-6,12-dione, Farnesyl pyrophosphate synthase | | Authors: | Liu, Y.L, Oldfield, E. | | Deposit date: | 2014-02-23 | | Release date: | 2014-07-02 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Taxodione and arenarone inhibit farnesyl diphosphate synthase by binding to the isopentenyl diphosphate site.
Proc.Natl.Acad.Sci.USA, 111, 2014
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6MTO
 | | Crystal structure of VRC42.01 Fab in complex with T117-F MPER scaffold | | Descriptor: | Antibody VRC42.01 Fab heavy chain, Antibody VRC42.01 Fab light chain, VRC42 epitope T117-F scaffold | | Authors: | Kwon, Y.D, Druz, A, Law, W.H, Peng, D, Zhang, B, Doria-Rose, N.A, Kwong, P.D. | | Deposit date: | 2018-10-21 | | Release date: | 2019-03-27 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.634 Å) | | Cite: | Longitudinal Analysis Reveals Early Development of Three MPER-Directed Neutralizing Antibody Lineages from an HIV-1-Infected Individual.
Immunity, 50, 2019
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6MTR
 | | Crystal structure of VRC43.01 Fab | | Descriptor: | Antibody VRC43.01 Fab heavy chain, Antibody VRC43.01 Fab light chain | | Authors: | Kwon, Y.D, Druz, A, Law, W.H, Peng, D, Zhang, B, Doria-Rose, N.A, Kwong, P.D. | | Deposit date: | 2018-10-21 | | Release date: | 2019-03-27 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.798 Å) | | Cite: | Longitudinal Analysis Reveals Early Development of Three MPER-Directed Neutralizing Antibody Lineages from an HIV-1-Infected Individual.
Immunity, 50, 2019
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6MTS
 | | Crystal structure of VRC43.03 Fab | | Descriptor: | Antibody VRC43.03 Fab heavy chain, Antibody VRC43.03 Fab light chain | | Authors: | Kwon, Y.D, Druz, A, Law, W.H, Peng, D, Doria-Rose, N.A, Kwong, P.D. | | Deposit date: | 2018-10-21 | | Release date: | 2019-03-27 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.437 Å) | | Cite: | Longitudinal Analysis Reveals Early Development of Three MPER-Directed Neutralizing Antibody Lineages from an HIV-1-Infected Individual.
Immunity, 50, 2019
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2JTK
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6MTP
 | | Crystal structure of VRC42.04 Fab in complex with gp41 peptide | | Descriptor: | Antibody VRC42.04 Fab heavy chain, Antibody VRC42.04 Fab light chain, RV217 founder virus gp41 peptide | | Authors: | Kwon, Y.D, Druz, A, Law, W.H, Peng, D, Zhang, B, Doria-Rose, N.A, Kwong, P.D. | | Deposit date: | 2018-10-21 | | Release date: | 2019-03-27 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.036 Å) | | Cite: | Longitudinal Analysis Reveals Early Development of Three MPER-Directed Neutralizing Antibody Lineages from an HIV-1-Infected Individual.
Immunity, 50, 2019
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4PLK
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6MTT
 | | Crystal structure of VRC46.01 Fab in complex with gp41 peptide | | Descriptor: | Antibody VRC46.01 Fab heavy chain, Antibody VRC46.01 Fb light chain, RV217 founder virus gp41 peptide | | Authors: | Kwon, Y.D, Druz, A, Law, W.H, Peng, D, Veradi, R, Doria-Rose, N.A, Kwong, P.D. | | Deposit date: | 2018-10-21 | | Release date: | 2019-03-27 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Longitudinal Analysis Reveals Early Development of Three MPER-Directed Neutralizing Antibody Lineages from an HIV-1-Infected Individual.
Immunity, 50, 2019
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6LT0
 | | cryo-EM structure of C9ORF72-SMCR8-WDR41 | | Descriptor: | Guanine nucleotide exchange C9orf72, Guanine nucleotide exchange protein SMCR8, WD repeat-containing protein 41 | | Authors: | Tang, D, Sheng, J, Xu, L, Zhan, X, Yan, C, Qi, S. | | Deposit date: | 2020-01-21 | | Release date: | 2020-04-15 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Cryo-EM structure of C9ORF72-SMCR8-WDR41 reveals the role as a GAP for Rab8a and Rab11a.
Proc.Natl.Acad.Sci.USA, 117, 2020
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