6GWQ
 
 | | Crystal Structure of Stabilized Active Plasminogen Activator Inhibitor-1 (PAI-1-stab) in Complex with an Inhibitory Nanobody (VHH-2g-42) | | Descriptor: | Plasminogen Activator Inhibitor-1, VHH-2g-42 | | Authors: | Sillen, M, Weeks, S.D, Strelkov, S.V, Declerck, P.J. | | Deposit date: | 2018-06-25 | | Release date: | 2020-01-01 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.32 Å) | | Cite: | Molecular mechanism of two nanobodies that inhibit PAI-1 activity reveals a modulation at distinct stages of the PAI-1/plasminogen activator interaction.
J.Thromb.Haemost., 18, 2020
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6GWN
 | | Crystal Structure of Stabilized Active Plasminogen Activator Inhibitor-1 (PAI-1-W175F) in Complex with Two Inhibitory Nanobodies (VHH-2g-42, VHH-2w-64) | | Descriptor: | Plasminogen activator inhibitor 1, VHH-2g-42, VHH-2w-64 | | Authors: | Sillen, M, Weeks, S.D, Strelkov, S.V, Declerck, P.J. | | Deposit date: | 2018-06-25 | | Release date: | 2020-01-01 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.03 Å) | | Cite: | Molecular mechanism of two nanobodies that inhibit PAI-1 activity reveals a modulation at distinct stages of the PAI-1/plasminogen activator interaction.
J.Thromb.Haemost., 18, 2020
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6GWP
 | | Crystal Structure of Stabilized Active Plasminogen Activator Inhibitor-1 (PAI-1-stab) in Complex with Two Inhibitory Nanobodies (VHH-2g-42, VHH-2w-64) | | Descriptor: | Plasminogen Activator Inhibitor-1, VHH-2g-42, VHH-2w-64 | | Authors: | Sillen, M, Weeks, S.D, Strelkov, S.V, Declerck, P.J. | | Deposit date: | 2018-06-25 | | Release date: | 2020-01-01 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.28 Å) | | Cite: | Molecular mechanism of two nanobodies that inhibit PAI-1 activity reveals a modulation at distinct stages of the PAI-1/plasminogen activator interaction.
J.Thromb.Haemost., 18, 2020
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5T2P
 | | Hepatitis B virus core protein Y132A mutant in complex with sulfamoylbenzamide (SBA_R01) | | Descriptor: | 4-fluoranyl-3-(4-oxidanylpiperidin-1-yl)sulfonyl-~{N}-[3,4,5-tris(fluoranyl)phenyl]benzamide, CHLORIDE ION, Core protein, ... | | Authors: | Zhou, Z, Xu, Z.H. | | Deposit date: | 2016-08-24 | | Release date: | 2017-02-22 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.693 Å) | | Cite: | Heteroaryldihydropyrimidine (HAP) and Sulfamoylbenzamide (SBA) Inhibit Hepatitis B Virus Replication by Different Molecular Mechanisms.
Sci Rep, 7, 2017
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5WTW
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6OMM
 | | Cryo-EM structure of formyl peptide receptor 2/lipoxin A4 receptor in complex with Gi | | Descriptor: | CHOLESTEROL, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | | Authors: | Zhuang, Y, Liu, H, de Waal, P.W, Zhou, X.E, Wang, L, Meng, X, Zhao, G, Kang, Y, Melcher, K, Xu, H.E, Zhang, C. | | Deposit date: | 2019-04-19 | | Release date: | 2020-02-26 | | Method: | ELECTRON MICROSCOPY (3.17 Å) | | Cite: | Structure of formylpeptide receptor 2-Gicomplex reveals insights into ligand recognition and signaling.
Nat Commun, 11, 2020
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5IPD
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5IPB
 | | Human Histidine Triad Nucleotide Binding Protein 1 (hHint1) H112N mutant | | Descriptor: | CHLORIDE ION, Histidine triad nucleotide-binding protein 1 | | Authors: | Maize, K.M, Finzel, B.C. | | Deposit date: | 2016-03-09 | | Release date: | 2017-03-15 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Caught before Released: Structural Mapping of the Reaction Trajectory for the Sofosbuvir Activating Enzyme, Human Histidine Triad Nucleotide Binding Protein 1 (hHint1).
Biochemistry, 56, 2017
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5JK7
 | | The X-ray structure of the DDB1-DCAF1-Vpr-UNG2 complex | | Descriptor: | DNA damage-binding protein 1, Protein VPRBP, Protein Vpr, ... | | Authors: | Calero, G, Ahn, J, Wu, Y. | | Deposit date: | 2016-04-26 | | Release date: | 2016-10-05 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (3.49 Å) | | Cite: | The DDB1-DCAF1-Vpr-UNG2 crystal structure reveals how HIV-1 Vpr steers human UNG2 toward destruction.
Nat.Struct.Mol.Biol., 23, 2016
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6EL2
 | | SaFadR_lauroyl_CoA complex | | Descriptor: | DODECYL-COA, Transcriptional regulator TetR family | | Authors: | Valegard, K. | | Deposit date: | 2017-09-27 | | Release date: | 2018-10-10 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | A TetR-family transcription factor regulates fatty acid metabolism in the archaeal model organism Sulfolobus acidocaldarius.
Nat Commun, 10, 2019
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5IPE
 | | Human Histidine Triad Nucleotide Binding Protein 1 (hHint1) nucleoside thiophosphoramidate catalytic product complex | | Descriptor: | 1,2-ETHANEDIOL, 5'-S-phosphono-5'-thioguanosine, CHLORIDE ION, ... | | Authors: | Maize, K.M, Finzel, B.C. | | Deposit date: | 2016-03-09 | | Release date: | 2017-03-15 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Caught before Released: Structural Mapping of the Reaction Trajectory for the Sofosbuvir Activating Enzyme, Human Histidine Triad Nucleotide Binding Protein 1 (hHint1).
Biochemistry, 56, 2017
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6EN8
 | | SaFadR in complex with dsDNA | | Descriptor: | DNA (5'-D(*CP*TP*AP*CP*TP*TP*GP*AP*TP*TP*TP*TP*TP*GP*AP*GP*TP*CP*GP*AP*C)-3'), DNA (5'-D(*GP*TP*CP*GP*AP*CP*TP*CP*AP*AP*AP*AP*AP*TP*CP*AP*AP*GP*TP*AP*G)-3'), Transcriptional regulator TetR family, ... | | Authors: | Valegard, K. | | Deposit date: | 2017-10-04 | | Release date: | 2018-10-31 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (3.29 Å) | | Cite: | A TetR-family transcription factor regulates fatty acid metabolism in the archaeal model organism Sulfolobus acidocaldarius.
Nat Commun, 10, 2019
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5WRE
 | | Hepatitis B virus core protein Y132A mutant in complex with heteroaryldihydropyrimidine (HAP_R01) | | Descriptor: | (2S)-1-[[(4R)-4-(2-chloranyl-4-fluoranyl-phenyl)-5-methoxycarbonyl-2-(1,3-thiazol-2-yl)-1,4-dihydropyrimidin-6-yl]methyl]-4,4-bis(fluoranyl)pyrrolidine-2-carboxylic acid, CHLORIDE ION, Core protein, ... | | Authors: | Zhou, Z, Xu, Z.H. | | Deposit date: | 2016-12-01 | | Release date: | 2017-02-22 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.946 Å) | | Cite: | Heteroaryldihydropyrimidine (HAP) and Sulfamoylbenzamide (SBA) Inhibit Hepatitis B Virus Replication by Different Molecular Mechanisms.
Sci Rep, 7, 2017
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2OBE
 | | Crystal Structure of Chimpanzee Adenovirus (Type 68/Simian 25) Major Coat Protein Hexon | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, DIHYDROGENPHOSPHATE ION, Hexon protein | | Authors: | Xue, F, Rux, J.J, Burnett, R.M. | | Deposit date: | 2006-12-18 | | Release date: | 2007-07-24 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structure-based identification of a major neutralizing site in an adenovirus hexon
J.Virol., 81, 2007
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2QC3
 | | Crystal structure of MCAT from Mycobacterium tuberculosis | | Descriptor: | ACETIC ACID, Malonyl CoA-acyl carrier protein transacylase | | Authors: | Li, Z, Huang, Y, Ge, J, Bartlam, M, Wang, H, Rao, Z. | | Deposit date: | 2007-06-19 | | Release date: | 2007-08-28 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | The Crystal Structure of MCAT from Mycobacterium tuberculosis Reveals Three New Catalytic Models.
J.Mol.Biol., 371, 2007
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8Y2H
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8YRH
 | | Complex of SARS-CoV-2 main protease and Rosmarinic acid | | Descriptor: | (2R)-3-(3,4-dihydroxyphenyl)-2-{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}propanoic acid, 3C-like proteinase nsp5 | | Authors: | Wang, Q.S, Li, Q.H. | | Deposit date: | 2024-03-21 | | Release date: | 2024-07-03 | | Method: | X-RAY DIFFRACTION (1.841 Å) | | Cite: | Structural basis of rosmarinic acid inhibitory mechanism on SARS-CoV-2 main protease.
Biochem.Biophys.Res.Commun., 724, 2024
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8HVU
 | | Crystal structure of SARS-Cov-2 main protease G15S mutant in complex with PF07304814 | | Descriptor: | 3C-like proteinase nsp5, [(3~{S})-3-[[(2~{S})-2-[(4-methoxy-1~{H}-indol-2-yl)carbonylamino]-4-methyl-pentanoyl]amino]-2-oxidanylidene-4-[(3~{R})-2-oxidanylidene-3,4-dihydropyrrol-3-yl]butyl] dihydrogen phosphate | | Authors: | Zeng, P, Zhang, J, Li, J. | | Deposit date: | 2022-12-28 | | Release date: | 2024-01-17 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.29 Å) | | Cite: | Crystal structures of main protease (M pro ) mutants of SARS-CoV-2 variants bound to PF-07304814.
Mol Biomed, 4, 2023
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8HVV
 | | Crystal structure of SARS-Cov-2 main protease S46F mutant in complex with PF07304814 | | Descriptor: | 3C-like proteinase nsp5, [(3~{S})-3-[[(2~{S})-2-[(4-methoxy-1~{H}-indol-2-yl)carbonylamino]-4-methyl-pentanoyl]amino]-2-oxidanylidene-4-[(3~{R})-2-oxidanylidene-3,4-dihydropyrrol-3-yl]butyl] dihydrogen phosphate | | Authors: | Zeng, X.Y, Zhang, J, Li, J. | | Deposit date: | 2022-12-28 | | Release date: | 2024-01-17 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Crystal structures of main protease (M pro ) mutants of SARS-CoV-2 variants bound to PF-07304814.
Mol Biomed, 4, 2023
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8HVY
 | | Crystal structure of SARS-Cov-2 main protease K90R mutant in complex with PF07304814 | | Descriptor: | 3C-like proteinase nsp5, [(3~{S})-3-[[(2~{S})-2-[(4-methoxy-1~{H}-indol-2-yl)carbonylamino]-4-methyl-pentanoyl]amino]-2-oxidanylidene-4-[(3~{R})-2-oxidanylidene-3,4-dihydropyrrol-3-yl]butyl] dihydrogen phosphate | | Authors: | Wang, J, Zhang, J, Li, J. | | Deposit date: | 2022-12-28 | | Release date: | 2024-01-17 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | Crystal structures of main protease (M pro ) mutants of SARS-CoV-2 variants bound to PF-07304814.
Mol Biomed, 4, 2023
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8HVZ
 | | Crystal structure of SARS-Cov-2 main protease V186F mutant in complex with PF07304814 | | Descriptor: | 3C-like proteinase nsp5, [(3~{S})-3-[[(2~{S})-2-[(4-methoxy-1~{H}-indol-2-yl)carbonylamino]-4-methyl-pentanoyl]amino]-2-oxidanylidene-4-[(3~{R})-2-oxidanylidene-3,4-dihydropyrrol-3-yl]butyl] dihydrogen phosphate | | Authors: | Zou, X.F, Zhang, J, Li, J. | | Deposit date: | 2022-12-28 | | Release date: | 2024-01-17 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Crystal structures of main protease (M pro ) mutants of SARS-CoV-2 variants bound to PF-07304814.
Mol Biomed, 4, 2023
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8HVW
 | | Crystal structure of SARS-Cov-2 main protease M49I mutant in complex with PF07304814 | | Descriptor: | 3C-like proteinase nsp5, [(3~{S})-3-[[(2~{S})-2-[(4-methoxy-1~{H}-indol-2-yl)carbonylamino]-4-methyl-pentanoyl]amino]-2-oxidanylidene-4-[(3~{R})-2-oxidanylidene-3,4-dihydropyrrol-3-yl]butyl] dihydrogen phosphate | | Authors: | Zou, X.F, Zhang, J, Li, J. | | Deposit date: | 2022-12-28 | | Release date: | 2024-01-17 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Crystal structures of main protease (M pro ) mutants of SARS-CoV-2 variants bound to PF-07304814.
Mol Biomed, 4, 2023
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8IG6
 | | Crystal structure of MERS main protease in complex with GC376 | | Descriptor: | N~2~-[(benzyloxy)carbonyl]-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide, ORF1a | | Authors: | Lin, C, Zhang, J, Li, J. | | Deposit date: | 2023-02-20 | | Release date: | 2024-03-06 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.07 Å) | | Cite: | Structural Basis for Coronaviral Main Proteases Inhibition by the 3CLpro Inhibitor GC376.
J.Mol.Biol., 436, 2024
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8IGA
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8IG7
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