4I1Z
 
 | | Crystal structure of the monomeric (V948R) form of the gefitinib/erlotinib resistant EGFR kinase domain L858R+T790M | | Descriptor: | Epidermal growth factor receptor | | Authors: | Gajiwala, K.S, Feng, J, Ferre, R, Ryan, K, Brodsky, O, Stewart, A. | | Deposit date: | 2012-11-21 | | Release date: | 2013-01-16 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Insights into the Aberrant Activity of Mutant EGFR Kinase Domain and Drug Recognition.
Structure, 21, 2013
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4I23
 | | Crystal structure of the wild-type EGFR kinase domain in complex with dacomitinib (soaked) | | Descriptor: | (2E)-N-{4-[(3-chloro-4-fluorophenyl)amino]-7-methoxyquinazolin-6-yl}-4-(piperidin-1-yl)but-2-enamide, Epidermal growth factor receptor | | Authors: | Gajiwala, K.S, Feng, J, Ferre, R, Ryan, K, Brodsky, O, Stewart, A. | | Deposit date: | 2012-11-21 | | Release date: | 2013-01-16 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Insights into the Aberrant Activity of Mutant EGFR Kinase Domain and Drug Recognition.
Structure, 21, 2013
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4I21
 | | Crystal structure of L858R + T790M EGFR kinase domain in complex with MIG6 peptide | | Descriptor: | ERBB receptor feedback inhibitor 1, Epidermal growth factor receptor | | Authors: | Gajiwala, K.S, Feng, J, Ferre, R, Ryan, K, Brodsky, O, Stewart, A. | | Deposit date: | 2012-11-21 | | Release date: | 2013-01-16 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (3.37 Å) | | Cite: | Insights into the Aberrant Activity of Mutant EGFR Kinase Domain and Drug Recognition.
Structure, 21, 2013
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4I20
 | | Crystal structure of monomeric (V948R) primary oncogenic mutant L858R EGFR kinase domain | | Descriptor: | Epidermal growth factor receptor | | Authors: | Gajiwala, K.S, Feng, J, Ferre, R, Ryan, K, Brodsky, O, Stewart, A. | | Deposit date: | 2012-11-21 | | Release date: | 2013-01-16 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (3.34 Å) | | Cite: | Insights into the Aberrant Activity of Mutant EGFR Kinase Domain and Drug Recognition.
Structure, 21, 2013
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4I24
 | | Structure of T790M EGFR kinase domain co-crystallized with dacomitinib | | Descriptor: | (2E)-N-{4-[(3-chloro-4-fluorophenyl)amino]-7-methoxyquinazolin-6-yl}-4-(piperidin-1-yl)but-2-enamide, Epidermal growth factor receptor | | Authors: | Gajiwala, K.S, Feng, J, Ferre, R, Ryan, K, Brodsky, O, Stewart, A. | | Deposit date: | 2012-11-21 | | Release date: | 2013-01-16 | | Last modified: | 2013-02-27 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Insights into the Aberrant Activity of Mutant EGFR Kinase Domain and Drug Recognition.
Structure, 21, 2013
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4I22
 | | Structure of the monomeric (V948R)gefitinib/erlotinib resistant double mutant (L858R+T790M) EGFR kinase domain co-crystallized with gefitinib | | Descriptor: | Epidermal growth factor receptor, Gefitinib, SULFATE ION | | Authors: | Gajiwala, K.S, Feng, J, Ferre, R, Ryan, K, Brodsky, O, Stewart, A. | | Deposit date: | 2012-11-21 | | Release date: | 2013-01-16 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.71 Å) | | Cite: | Insights into the Aberrant Activity of Mutant EGFR Kinase Domain and Drug Recognition.
Structure, 21, 2013
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3IKD
 | | Structure-Based Design of Novel PIN1 Inhibitors (I) | | Descriptor: | (2R)-2-[(1-benzothiophen-2-ylcarbonyl)amino]-3-phenylpropyl phosphate, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | | Authors: | Matthews, D, Greasley, S, Ferre, R, Parge, H. | | Deposit date: | 2009-08-05 | | Release date: | 2009-09-22 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure-based design of novel human Pin1 inhibitors (I).
Bioorg.Med.Chem.Lett., 19, 2009
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6RT0
 | | cryo-em structure of alpha-synuclein fibril polymorph 2A | | Descriptor: | Alpha-synuclein | | Authors: | Guerrero-Ferreira, R, Taylor, N.M.I, Arteni, A.A, Melki, R, Meier, B.H, Bockmann, A, Bousset, L, Stahlberg, H. | | Deposit date: | 2019-05-22 | | Release date: | 2019-06-26 | | Last modified: | 2024-05-22 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Two new polymorphic structures of human full-length alpha-synuclein fibrils solved by cryo-electron microscopy.
Elife, 8, 2019
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6RTB
 | | cryo-em structure of alpha-synuclein fibril polymorph 2B | | Descriptor: | Alpha-synuclein | | Authors: | Guerrero-Ferreira, R, Taylor, N.M.I, Arteni, A.A, Melki, R, Meier, B.H, Bockmann, A, Bousset, L, Stahlberg, H. | | Deposit date: | 2019-05-22 | | Release date: | 2019-06-26 | | Last modified: | 2024-05-22 | | Method: | ELECTRON MICROSCOPY (3.46 Å) | | Cite: | Two new polymorphic structures of human full-length alpha-synuclein fibrils solved by cryo-electron microscopy.
Elife, 8, 2019
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6H6B
 | | Structure of alpha-synuclein fibrils | | Descriptor: | Alpha-synuclein | | Authors: | Guerrero-Ferreira, R, Taylor, N.M.I, Mona, D, Ringler, P, Lauer, M.E, Riek, R, Britschgi, M, Stahlberg, H. | | Deposit date: | 2018-07-26 | | Release date: | 2018-08-08 | | Last modified: | 2024-07-10 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Cryo-EM structure of alpha-synuclein fibrils.
Elife, 7, 2018
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6SST
 | | cryo-em structure of alpha-synuclein fibril polymorph 2B | | Descriptor: | Alpha-synuclein | | Authors: | Guerrero-Ferreira, R, Taylor, N.M.I, Arteni, A.A, Melki, R, Meier, B.H, Bockmann, A, Bousset, L, Stahlberg, H. | | Deposit date: | 2019-09-09 | | Release date: | 2019-12-18 | | Last modified: | 2024-05-22 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Two new polymorphic structures of human full-length alpha-synuclein fibrils solved by cryo-electron microscopy.
Elife, 8, 2019
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6SSX
 | | cryo-em structure of alpha-synuclein fibril polymorph 2A | | Descriptor: | Alpha-synuclein | | Authors: | Guerrero-Ferreira, R, Taylor, N.M.I, Arteni, A.A, Melki, R, Meier, B.H, Bockmann, A, Bousset, L, Stahlberg, H. | | Deposit date: | 2019-09-09 | | Release date: | 2019-12-18 | | Last modified: | 2024-05-22 | | Method: | ELECTRON MICROSCOPY (2.98 Å) | | Cite: | Two new polymorphic structures of human full-length alpha-synuclein fibrils solved by cryo-electron microscopy.
Elife, 8, 2019
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7U29
 | | Structure of SARS-CoV-2 Mpro mutant (K90R) in complex with Nirmatrelvir (PF-07321332) | | Descriptor: | (1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5 | | Authors: | Greasley, S.E, Ferre, R.A, Liu, W, Stewart, A.E. | | Deposit date: | 2022-02-23 | | Release date: | 2022-03-09 | | Last modified: | 2022-06-15 | | Method: | X-RAY DIFFRACTION (2.088 Å) | | Cite: | Structural basis for the in vitro efficacy of nirmatrelvir against SARS-CoV-2 variants.
J.Biol.Chem., 298, 2022
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7U28
 | | Structure of SARS-CoV-2 Mpro Lambda (G15S) in complex with Nirmatrelvir (PF-07321332) | | Descriptor: | (1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5 | | Authors: | Greasley, S.E, Ferre, R.A, Plotnikova, O, Liu, W, Stewart, A.E. | | Deposit date: | 2022-02-23 | | Release date: | 2022-03-09 | | Last modified: | 2022-06-15 | | Method: | X-RAY DIFFRACTION (1.679 Å) | | Cite: | Structural basis for the in vitro efficacy of nirmatrelvir against SARS-CoV-2 variants.
J.Biol.Chem., 298, 2022
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9AUL
 | | Structure of SARS-CoV-2 Mpro mutant (A173V,T304I)) in complex with Nirmatrelvir (PF-07321332) | | Descriptor: | (1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5 | | Authors: | Gajiwala, K.S, Greasley, S.E, Ferre, R.A, Liu, W, Stewart, A.E. | | Deposit date: | 2024-02-29 | | Release date: | 2024-08-07 | | Method: | X-RAY DIFFRACTION (2.421 Å) | | Cite: | In vitro selection and analysis of SARS-CoV-2 nirmatrelvir resistance mutations contributing to clinical virus resistance surveillance.
Sci Adv, 10, 2024
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9AUJ
 | | Structure of SARS-CoV-2 Mpro mutant (S144A) in complex with Nirmatrelvir (PF-07321332) | | Descriptor: | (1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5 | | Authors: | Gajiwala, K.S, Greasley, S.E, Ferre, R.A, Liu, W, Stewart, A.E. | | Deposit date: | 2024-02-29 | | Release date: | 2024-08-07 | | Method: | X-RAY DIFFRACTION (1.486 Å) | | Cite: | In vitro selection and analysis of SARS-CoV-2 nirmatrelvir resistance mutations contributing to clinical virus resistance surveillance.
Sci Adv, 10, 2024
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9AUM
 | | Structure of SARS-CoV-2 Mpro mutant (T21I,S144A,T304I) in complex with Nirmatrelvir (PF-07321332) | | Descriptor: | (1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5 | | Authors: | Gajiwala, K.S, Greasley, S.E, Ferre, R.A, Liu, W, Stewart, A.E. | | Deposit date: | 2024-02-29 | | Release date: | 2024-08-07 | | Method: | X-RAY DIFFRACTION (1.539 Å) | | Cite: | In vitro selection and analysis of SARS-CoV-2 nirmatrelvir resistance mutations contributing to clinical virus resistance surveillance.
Sci Adv, 10, 2024
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9AUK
 | | Structure of SARS-CoV-2 Mpro mutant (A173V) in complex with Nirmatrelvir (PF-07321332) | | Descriptor: | (1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5 | | Authors: | Gajiwala, K.S, Greasley, S.E, Ferre, R.A, Liu, W, Stewart, A.E. | | Deposit date: | 2024-02-29 | | Release date: | 2024-08-07 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | In vitro selection and analysis of SARS-CoV-2 nirmatrelvir resistance mutations contributing to clinical virus resistance surveillance.
Sci Adv, 10, 2024
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9AUO
 | | Structure of SARS-CoV-2 Mpro mutant (L50F,T304I) | | Descriptor: | 3C-like proteinase nsp5 | | Authors: | Gajiwala, K.S, Greasley, S.E, Ferre, R.A, Liu, W, Stewart, A.E. | | Deposit date: | 2024-02-29 | | Release date: | 2024-08-07 | | Method: | X-RAY DIFFRACTION (2.423 Å) | | Cite: | In vitro selection and analysis of SARS-CoV-2 nirmatrelvir resistance mutations contributing to clinical virus resistance surveillance.
Sci Adv, 10, 2024
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9AUN
 | | Structure of SARS-CoV-2 Mpro mutant (T21I,T304I) | | Descriptor: | 3C-like proteinase nsp5 | | Authors: | Gajiwala, K.S, Greasley, S.E, Ferre, R.A, Liu, W, Stewart, A.E. | | Deposit date: | 2024-02-29 | | Release date: | 2024-08-07 | | Method: | X-RAY DIFFRACTION (2.29 Å) | | Cite: | In vitro selection and analysis of SARS-CoV-2 nirmatrelvir resistance mutations contributing to clinical virus resistance surveillance.
Sci Adv, 10, 2024
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7TLL
 | | Structure of SARS-CoV-2 Mpro Omicron P132H in complex with Nirmatrelvir (PF-07321332) | | Descriptor: | (1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5 | | Authors: | Greasley, S.E, Ferre, R.A, Plotnikova, O, Liu, W, Stewart, A.E. | | Deposit date: | 2022-01-18 | | Release date: | 2022-01-26 | | Last modified: | 2022-06-15 | | Method: | X-RAY DIFFRACTION (1.63 Å) | | Cite: | Structural basis for the in vitro efficacy of nirmatrelvir against SARS-CoV-2 variants.
J.Biol.Chem., 298, 2022
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7RFR
 | | Structure of SARS-CoV-2 main protease in complex with a covalent inhibitor | | Descriptor: | (1R,2S,5S)-N-{(1S,2S)-1-(1,3-benzothiazol-2-yl)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-3-(4-methoxy-1H-indole-2-carbonyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase | | Authors: | Gajiwala, K.S, Ferre, R.A, Liu, W, Stewart, A.E. | | Deposit date: | 2021-07-14 | | Release date: | 2021-11-10 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.626 Å) | | Cite: | An oral SARS-CoV-2 M pro inhibitor clinical candidate for the treatment of COVID-19.
Science, 374, 2021
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7RFU
 | | Structure of SARS-CoV-2 main protease in complex with a covalent inhibitor | | Descriptor: | (1R,2S,5S)-N-{(1S,2S)-1-(1,3-benzothiazol-2-yl)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-3-[N-(methanesulfonyl)-L-valyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase | | Authors: | Greasley, S.E, Ferre, R.A, Liu, W, Stewart, A.E. | | Deposit date: | 2021-07-14 | | Release date: | 2021-11-10 | | Last modified: | 2022-01-05 | | Method: | X-RAY DIFFRACTION (2.498 Å) | | Cite: | An oral SARS-CoV-2 M pro inhibitor clinical candidate for the treatment of COVID-19.
Science, 374, 2021
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7RFW
 | | Structure of SARS-CoV-2 main protease in complex with a covalent inhibitor | | Descriptor: | (1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase | | Authors: | Greasley, S.E, Ferre, R.A, Liu, W, Stewart, A.E. | | Deposit date: | 2021-07-14 | | Release date: | 2021-11-10 | | Last modified: | 2022-01-05 | | Method: | X-RAY DIFFRACTION (1.729 Å) | | Cite: | An oral SARS-CoV-2 M pro inhibitor clinical candidate for the treatment of COVID-19.
Science, 374, 2021
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7RFS
 | | Structure of SARS-CoV-2 main protease in complex with a covalent inhibitor | | Descriptor: | (1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase | | Authors: | Greasley, S.E, Ferre, R.A, Liu, W, Stewart, A.E. | | Deposit date: | 2021-07-14 | | Release date: | 2021-11-10 | | Last modified: | 2022-01-05 | | Method: | X-RAY DIFFRACTION (1.91 Å) | | Cite: | An oral SARS-CoV-2 M pro inhibitor clinical candidate for the treatment of COVID-19.
Science, 374, 2021
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