3DCK
 
 | | X-ray structure of D25N chemical analogue of HIV-1 protease complexed with ketomethylene isostere inhibitor | | Descriptor: | (2S)-2-{[(2R,5S)-5-{[(2S,3S)-2-{[(2S,3R)-2-(acetylamino)-3-hydroxybutanoyl]amino}-3-methylpentanoyl]amino}-2-butyl-4-oxononanoyl]amino}-N~1~-[(2S)-1-amino-5-carbamimidamido-1-oxopentan-2-yl]pentanediamide, Chemical analogue HIV-1 protease | | Authors: | Torbeev, V.Y, Mandal, K, Terechko, V.A, Kent, S.B.H. | | Deposit date: | 2008-06-03 | | Release date: | 2008-08-19 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal structure of chemically synthesized HIV-1 protease and a ketomethylene isostere inhibitor based on the p2/NC cleavage site
Bioorg.Med.Chem.Lett., 18, 2008
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3DCR
 | | X-ray structure of HIV-1 protease and hydrated form of ketomethylene isostere inhibitor | | Descriptor: | Chemical analogue HIV-1 protease, N~2~-[(2R,5S)-5-({(2S,3S)-2-[(N-acetyl-L-threonyl)amino]-3-methylpent-4-enoyl}amino)-2-butyl-4,4-dihydroxynonanoyl]-L-glutaminyl-L-argininamide | | Authors: | Torbeev, V.Y, Mandal, K, Terechko, V.A, Kent, S.B.H. | | Deposit date: | 2008-06-04 | | Release date: | 2008-08-19 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Crystal structure of chemically synthesized HIV-1 protease and a ketomethylene isostere inhibitor based on the p2/NC cleavage site
Bioorg.Med.Chem.Lett., 18, 2008
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5CY0
 | | Total Chemical Synthesis, Covalent Structure Verification, and X-ray Structure of Bioactive Ts3 Toxin by Racemic Protein Crystallography | | Descriptor: | GLYCEROL, Ts3 Toxin | | Authors: | Dang, B, Kubota, T, Mandal, K, Correa, A.M, Bezanilla, F, Kent, S.B. | | Deposit date: | 2015-07-29 | | Release date: | 2016-06-01 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | Elucidation of the Covalent and Tertiary Structures of Biologically Active Ts3 Toxin.
Angew.Chem.Int.Ed.Engl., 55, 2016
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6KMP
 | | 100K X-ray structure of HIV-1 protease triple mutant (V32I,I47V,V82I) with tetrahedral intermediate mimic KVS-1 | | Descriptor: | N~2~-[(2R,5S)-5-({(2S,3S)-2-[(N-acetyl-L-threonyl)amino]-3-methylpent-4-enoyl}amino)-2-butyl-4,4-dihydroxynonanoyl]-L-glutaminyl-L-argininamide, Protease | | Authors: | Das, A, Kovalevsky, A. | | Deposit date: | 2019-07-31 | | Release date: | 2020-07-29 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.31 Å) | | Cite: | Visualizing Tetrahedral Oxyanion Bound in HIV-1 Protease Using Neutrons: Implications for the Catalytic Mechanism and Drug Design.
Acs Omega, 5, 2020
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6PU8
 | | Room temperature X-ray structure of HIV-1 protease triple mutant (V32I,I47V,V82I) with tetrahedral intermediate of keto-darunavir | | Descriptor: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S)-4-{[(4-aminophenyl)sulfonyl](2-methylpropyl)amino}-3,3-dihydroxy-1-phenylbutan-2-yl]carbamate, HIV-1 protease | | Authors: | Kovalevsky, A, Das, A. | | Deposit date: | 2019-07-17 | | Release date: | 2020-06-24 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Visualizing Tetrahedral Oxyanion Bound in HIV-1 Protease Using Neutrons: Implications for the Catalytic Mechanism and Drug Design.
Acs Omega, 5, 2020
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6PTP
 | | Joint X-ray/neutron structure of HIV-1 protease triple mutant (V32I,I47V,V82I) with tetrahedral intermediate mimic KVS-1 | | Descriptor: | HIV-1 Protease, N~2~-[(2R,5S)-5-({(2S,3S)-2-[(N-acetyl-L-threonyl)amino]-3-methylpent-4-enoyl}amino)-2-butyl-4,4-dihydroxynonanoyl]-L-glutaminyl-L-argininamide | | Authors: | Kovalevsky, A, Das, A. | | Deposit date: | 2019-07-16 | | Release date: | 2020-06-10 | | Last modified: | 2023-10-25 | | Method: | NEUTRON DIFFRACTION (1.85 Å), X-RAY DIFFRACTION | | Cite: | Visualizing Tetrahedral Oxyanion Bound in HIV-1 Protease Using Neutrons: Implications for the Catalytic Mechanism and Drug Design.
Acs Omega, 5, 2020
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5I5C
 | | X-ray crystal structure of allo-Thr31-ShK | | Descriptor: | GLYCEROL, Kappa-stichotoxin-She3a, LITHIUM ION, ... | | Authors: | Dang, B, Kubota, T, Manda, K.l, Shen, R, Bezanilla, F, Roux, B, Kent, S.B.H. | | Deposit date: | 2016-02-15 | | Release date: | 2017-01-25 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Inversion of the Side-Chain Stereochemistry of Indvidual Thr or Ile Residues in a Protein Molecule: Impact on the Folding, Stability, and Structure of the ShK Toxin.
Angew. Chem. Int. Ed. Engl., 56, 2017
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7N65
 | | Complex structure of HIV superinfection Fab QA013.2 and BG505.SOSIP.664 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein gp41, ... | | Authors: | Mangala Prasad, V, Shipley, M.M, Overbaugh, J.M, Lee, K.K. | | Deposit date: | 2021-06-07 | | Release date: | 2021-07-28 | | Method: | ELECTRON MICROSCOPY (4.15 Å) | | Cite: | Functional development of a V3/glycan-specific broadly neutralizing antibody isolated from a case of HIV superinfection.
Elife, 10, 2021
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