7Y0F
| Crystal structure of TMPRSS2 in complex with UK-371804 | Descriptor: | 2-[(1-carbamimidamido-4-chloranyl-isoquinolin-7-yl)sulfonylamino]-2-methyl-propanoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Wang, H, Duan, Y, Liu, X, Sun, L, Yang, H. | Deposit date: | 2022-06-04 | Release date: | 2023-12-06 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structure-based discovery of dual pathway inhibitors for SARS-CoV-2 entry. Nat Commun, 14, 2023
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7Y0E
| Crystal structure of TMPRSS2 in complex with Camostat | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-carbamimidamidobenzoic acid, CALCIUM ION, ... | Authors: | Wang, H, Duan, Y, Liu, X, Sun, L, Yang, H. | Deposit date: | 2022-06-04 | Release date: | 2023-12-06 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2.39 Å) | Cite: | Structure-based discovery of dual pathway inhibitors for SARS-CoV-2 entry. Nat Commun, 14, 2023
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8XFB
| Cryo-EM structure of partial dimeric WDR11-FAM91A1 complex | Descriptor: | Protein FAM91A1, WD repeat-containing protein 11 | Authors: | Jia, G.W, Deng, Q.H, Su, Z.M, Jia, D. | Deposit date: | 2023-12-13 | Release date: | 2024-08-14 | Last modified: | 2024-08-28 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | The WDR11 complex is a receptor for acidic-cluster-containing cargo proteins. Cell, 187, 2024
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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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8Z9M
| Cryo-EM structure of dimeric WDR11-FAM91A1 complex | Descriptor: | Protein FAM91A1, WD repeat-containing protein 11 | Authors: | Jia, G.W, Deng, Q.H, Su, Z.M, Jia, D. | Deposit date: | 2024-04-23 | Release date: | 2024-08-14 | Last modified: | 2024-08-28 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | The WDR11 complex is a receptor for acidic-cluster-containing cargo proteins. Cell, 187, 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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8V4U
| Structure of SARS-CoV-2 main protease in complex with a covalent inhibitor | Descriptor: | 3C-like proteinase nsp5, N-(methoxycarbonyl)-3-methyl-L-valyl-(4R)-N-{(1Z,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-4-(trifluoromethyl)-L-prolinamide | Authors: | Greasley, S.E, Ferre, R.A, Liu, W. | Deposit date: | 2023-11-29 | Release date: | 2024-05-15 | Last modified: | 2024-09-11 | Method: | X-RAY DIFFRACTION (1.819 Å) | Cite: | A Second-Generation Oral SARS-CoV-2 Main Protease Inhibitor Clinical Candidate for the Treatment of COVID-19. J.Med.Chem., 67, 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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8YP3
| Crystal structure of UDP-N-acetylglucosamine pyrophosphorylase from Spodoptera frugiperda in complex with UDP-GlcNAc | Descriptor: | MAGNESIUM ION, SULFATE ION, UDP-N-acetylglucosamine diphosphorylase, ... | Authors: | Lu, Q, Liu, T, Zhou, Y, Yang, Q. | Deposit date: | 2024-03-15 | Release date: | 2024-08-07 | Last modified: | 2024-09-18 | Method: | X-RAY DIFFRACTION (2.12 Å) | Cite: | Structure and Inhibition of Insect UDP- N -acetylglucosamine Pyrophosphorylase: A Key Enzyme in the Hexosamine Biosynthesis Pathway. J.Agric.Food Chem., 72, 2024
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7Y55
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7DMW
| Crystal structure of CcpC regulatory domain in complex with citrate from Bacillus amyloliquefaciens | Descriptor: | CITRATE ANION, CcpC | Authors: | Chen, J, Wang, L, Shang, F, Liu, W, Chen, Y, Lan, J, Bu, T, Bai, X, Xu, Y. | Deposit date: | 2020-12-08 | Release date: | 2021-10-27 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.29 Å) | Cite: | Functional and structural analysis of catabolite control protein C that responds to citrate. Sci Rep, 11, 2021
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7X81
| The crystal structure of PloI4-C16M/D46A/I137V in complex with exo-2+2 adduct | Descriptor: | (4S,4aS,6aR,8R,9R,11E,12aR,14aS,17E,18aR,18bR)-9-ethyl-4,8,19-trihydroxy-11,12a,13,18a-tetramethyl-2,3,4,4a,6a,7,8,9,10,12a,13,14,18a,18b-tetradecahydro-14a,17-(metheno)cyclobuta[b]naphtho[2,1-j][1]azacyclotetradecine-16,18(1H,15H)-dione, PloI4 | Authors: | Li, M, Pan, L.F. | Deposit date: | 2022-03-10 | Release date: | 2023-02-08 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.104 Å) | Cite: | A cyclase that catalyses competing 2 + 2 and 4 + 2 cycloadditions. Nat.Chem., 15, 2023
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7X80
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7X86
| The crystal structure of PloI4-F124L in complex with endo-4+2 adduct | Descriptor: | (4S,4aS,6aR,8R,9R,10aS,13S,14aS,18aR,18bR,E)-9-ethyl-4,8,19-trihydroxy-10a,12,13,18a-tetramethyl-2,3,4,4a,6a,7,8,9,10,10a,13,14,18a,18b-tetradecahydro-14a,17-(metheno)benzo[b]naphtho[2,1-h][1]azacyclododecine-16,18(1H,15H)-dione, PloI4 | Authors: | Li, M, Pan, L.F. | Deposit date: | 2022-03-11 | Release date: | 2023-02-08 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.303 Å) | Cite: | A cyclase that catalyses competing 2 + 2 and 4 + 2 cycloadditions. Nat.Chem., 15, 2023
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7X7Z
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7QXX
| Proteasome-ZFAND5 Complex Z+E state | Descriptor: | 26S protease regulatory subunit 6A, 26S protease regulatory subunit 6B, 26S protease regulatory subunit 7, ... | Authors: | Zhu, Y, Lu, Y. | Deposit date: | 2022-01-27 | Release date: | 2023-02-08 | Last modified: | 2024-09-04 | Method: | ELECTRON MICROSCOPY (4.4 Å) | Cite: | Molecular mechanism for activation of the 26S proteasome by ZFAND5. Mol.Cell, 83, 2023
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7QY7
| Proteasome-ZFAND5 Complex Z-A state | Descriptor: | 26S protease regulatory subunit 4, 26S protease regulatory subunit 6A, 26S protease regulatory subunit 6B, ... | Authors: | Zhu, Y, Lu, Y. | Deposit date: | 2022-01-27 | Release date: | 2023-02-08 | Last modified: | 2024-09-04 | Method: | ELECTRON MICROSCOPY (4.7 Å) | Cite: | Molecular mechanism for activation of the 26S proteasome by ZFAND5. Mol.Cell, 83, 2023
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7QXN
| Proteasome-ZFAND5 Complex Z+A state | Descriptor: | 26S protease regulatory subunit 4, 26S protease regulatory subunit 6A, 26S protease regulatory subunit 6B, ... | Authors: | Zhu, Y, Lu, Y. | Deposit date: | 2022-01-26 | Release date: | 2023-02-08 | Last modified: | 2024-09-04 | Method: | ELECTRON MICROSCOPY (3.7 Å) | Cite: | Molecular mechanism for activation of the 26S proteasome by ZFAND5. Mol.Cell, 83, 2023
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7QXP
| Proteasome-ZFAND5 Complex Z+B state | Descriptor: | 26S protease regulatory subunit 4, 26S protease regulatory subunit 6A, 26S protease regulatory subunit 6B, ... | Authors: | Zhu, Y, Lu, Y. | Deposit date: | 2022-01-26 | Release date: | 2023-02-08 | Last modified: | 2024-09-04 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Molecular mechanism for activation of the 26S proteasome by ZFAND5. Mol.Cell, 83, 2023
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7QYB
| Proteasome-ZFAND5 Complex Z-C state | Descriptor: | 26S protease regulatory subunit 4, 26S protease regulatory subunit 6A, 26S protease regulatory subunit 6B, ... | Authors: | Zhu, Y, Lu, Y. | Deposit date: | 2022-01-27 | Release date: | 2023-02-08 | Last modified: | 2024-09-04 | Method: | ELECTRON MICROSCOPY (4.1 Å) | Cite: | Molecular mechanism for activation of the 26S proteasome by ZFAND5. Mol.Cell, 83, 2023
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7QXU
| Proteasome-ZFAND5 Complex Z+C state | Descriptor: | 26S protease regulatory subunit 6A, 26S protease regulatory subunit 6B, 26S protease regulatory subunit 7, ... | Authors: | Zhu, Y, Lu, Y. | Deposit date: | 2022-01-27 | Release date: | 2023-02-08 | Last modified: | 2024-09-04 | Method: | ELECTRON MICROSCOPY (4.3 Å) | Cite: | Molecular mechanism for activation of the 26S proteasome by ZFAND5. Mol.Cell, 83, 2023
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7QXW
| Proteasome-ZFAND5 Complex Z+D state | Descriptor: | 26S protease regulatory subunit 6A, 26S protease regulatory subunit 6B, 26S protease regulatory subunit 7, ... | Authors: | Zhu, Y, Lu, Y. | Deposit date: | 2022-01-27 | Release date: | 2023-02-08 | Last modified: | 2024-09-04 | Method: | ELECTRON MICROSCOPY (4.1 Å) | Cite: | Molecular mechanism for activation of the 26S proteasome by ZFAND5. Mol.Cell, 83, 2023
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