Loading
PDBj
MenuPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help
PDB: 395 results

7LE4
DownloadVisualize
BU of 7le4 by Molmil
HIV-1 Protease WT (NL4-3) in Complex with UMass7
Descriptor: (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(1S,2R)-1-benzyl-3-{(2-ethylbutyl)[(4-methoxyphenyl)sulfonyl]amino}-2-hydroxypropyl]carbamate, Protease, SULFATE ION
Authors:Lockbaum, G.J, Rusere, L.N, Henes, M, Kosovrasti, K, Lee, S.K, Spielvogel, E, Nalivaika, E.A, Swanstrom, R, KurtYilmaz, N, Schiffer, C.A, Ali, A.
Deposit date:2021-01-14
Release date:2022-01-26
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.993 Å)
Cite:HIV-1 Protease Inhibitors with a P1 Phosphonate Modification Maintain Potency against Drug Resistant Variants by Increased van der Waals Contacts with Flaps Residues
To Be Published
7LEG
DownloadVisualize
BU of 7leg by Molmil
HIV-1 Protease WT (NL4-3) in Complex with PU8 (LR4-06)
Descriptor: Protease, SULFATE ION, diethyl [(4-{(2S,3R)-4-[(2-ethylbutyl){[4-(hydroxymethyl)phenyl]sulfonyl}amino]-2-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxybutyl}phenoxy)methyl]phosphonate
Authors:Lockbaum, G.J, Rusere, L.N, Henes, M, Kosovrasti, K, Lee, S.K, Spielvogel, E, Nalivaika, E.A, Swanstrom, R, KurtYilmaz, N, Schiffer, C.A, Ali, A.
Deposit date:2021-01-14
Release date:2022-01-26
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:HIV-1 Protease Inhibitors with a P1 Phosphonate Modification Maintain Potency against Drug Resistant Variants by Increased van der Waals Contacts with Flaps Residues
To Be Published
7LE6
DownloadVisualize
BU of 7le6 by Molmil
HIV-1 Protease WT (NL4-3) in Complex with UMass10
Descriptor: (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(1S,2R)-3-[(1,3-benzothiazol-6-ylsulfonyl)(2-ethylbutyl)amino]-1-benzyl-2-hydroxypropyl}carbamate, Protease, SULFATE ION
Authors:Lockbaum, G.J, Rusere, L.N, Henes, M, Kosovrasti, K, Lee, S.K, Spielvogel, E, Nalivaika, E.A, Swanstrom, R, KurtYilmaz, N, Schiffer, C.A, Ali, A.
Deposit date:2021-01-14
Release date:2022-01-26
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.962 Å)
Cite:HIV-1 Protease Inhibitors with a P1 Phosphonate Modification Maintain Potency against Drug Resistant Variants by Increased van der Waals Contacts with Flaps Residues
To Be Published
7LE5
DownloadVisualize
BU of 7le5 by Molmil
HIV-1 Protease WT (NL4-3) in Complex with UMass9
Descriptor: (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(1S,2R)-3-[(1,3-benzodioxol-5-ylsulfonyl)(2-ethylbutyl)amino]-1-benzyl-2-hydroxypropyl}carbamate, Protease, SULFATE ION
Authors:Lockbaum, G.J, Rusere, L.N, Henes, M, Kosovrasti, K, Lee, S.K, Spielvogel, E, Nalivaika, E.A, Swanstrom, R, KurtYilmaz, N, Schiffer, C.A, Ali, A.
Deposit date:2021-01-14
Release date:2022-01-26
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.863 Å)
Cite:HIV-1 Protease Inhibitors with a P1 Phosphonate Modification Maintain Potency against Drug Resistant Variants by Increased van der Waals Contacts with Flaps Residues
To Be Published
7LEA
DownloadVisualize
BU of 7lea by Molmil
HIV-1 Protease WT (NL4-3) in Complex with PU1 (LR3-46)
Descriptor: Protease, SULFATE ION, diethyl [(4-{(2S,3R)-4-{[(4-aminophenyl)sulfonyl][(2S)-2-methylbutyl]amino}-2-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxybutyl}phenoxy)methyl]phosphonate
Authors:Lockbaum, G.J, Rusere, L.N, Henes, M, Kosovrasti, K, Lee, S.K, Spielvogel, E, Nalivaika, E.A, Swanstrom, R, KurtYilmaz, N, Schiffer, C.A, Ali, A.
Deposit date:2021-01-14
Release date:2022-01-26
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2 Å)
Cite:HIV-1 Protease Inhibitors with a P1 Phosphonate Modification Maintain Potency against Drug Resistant Variants by Increased van der Waals Contacts with Flaps Residues
To Be Published
7LE9
DownloadVisualize
BU of 7le9 by Molmil
HIV-1 Protease WT (NL4-3) in Complex with PD5 (LR4-22)
Descriptor: Protease, SULFATE ION, diethyl [(4-{(2S,3R)-4-{[(1,3-benzothiazol-6-yl)sulfonyl](2-methylpropyl)amino}-2-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxybutyl}phenoxy)methyl]phosphonate
Authors:Lockbaum, G.J, Rusere, L.N, Henes, M, Kosovrasti, K, Lee, S.K, Spielvogel, E, Nalivaika, E.A, Swanstrom, R, KurtYilmaz, N, Schiffer, C.A, Ali, A.
Deposit date:2021-01-14
Release date:2022-01-26
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.797 Å)
Cite:HIV-1 Protease Inhibitors with a P1 Phosphonate Modification Maintain Potency against Drug Resistant Variants by Increased van der Waals Contacts with Flaps Residues
To Be Published
7LEI
DownloadVisualize
BU of 7lei by Molmil
HIV-1 Protease WT (NL4-3) in Complex with PU10 (LR4-07)
Descriptor: Protease, SULFATE ION, diethyl [(4-{(2S,3R)-4-{[(1,3-benzothiazol-6-yl)sulfonyl](2-ethylbutyl)amino}-2-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxybutyl}phenoxy)methyl]phosphonate
Authors:Lockbaum, G.J, Rusere, L.N, Henes, M, Kosovrasti, K, Lee, S.K, Spielvogel, E, Nalivaika, E.A, Swanstrom, R, KurtYilmaz, N, Schiffer, C.A, Ali, A.
Deposit date:2021-01-14
Release date:2022-01-26
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.943 Å)
Cite:HIV-1 Protease Inhibitors with a P1 Phosphonate Modification Maintain Potency against Drug Resistant Variants by Increased van der Waals Contacts with Flaps Residues
To Be Published
7LE3
DownloadVisualize
BU of 7le3 by Molmil
HIV-1 Protease WT (NL4-3) in Complex with UMass5
Descriptor: (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(1S,2R)-3-{(1,3-benzothiazol-6-ylsulfonyl)[(2S)-2-methylbutyl]amino}-1-benzyl-2-hydroxypropyl]carbamate, Protease, SULFATE ION
Authors:Lockbaum, G.J, Rusere, L.N, Henes, M, Kosovrasti, K, Lee, S.K, Spielvogel, E, Nalivaika, E.A, Swanstrom, R, KurtYilmaz, N, Schiffer, C.A, Ali, A.
Deposit date:2021-01-14
Release date:2022-01-26
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:HIV-1 Protease Inhibitors with a P1 Phosphonate Modification Maintain Potency against Drug Resistant Variants by Increased van der Waals Contacts with Flaps Residues
To Be Published
7LE7
DownloadVisualize
BU of 7le7 by Molmil
HIV-1 Protease WT (NL4-3) in Complex with GS-8374
Descriptor: DIETHYL ({4-[(2S,3R)-2-({[(3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YLOXY]CARBONYL}AMINO)-3-HYDROXY-4-{ISOBUTYL[(4-METHOXYPHENYL)SULFONYL]AMINO}BUTYL]PHENOXY}METHYL)PHOSPHONATE, Protease, SULFATE ION
Authors:Lockbaum, G.J, Rusere, L.N, Henes, M, Kosovrasti, K, Lee, S.K, Spielvogel, E, Nalivaika, E.A, Swanstrom, R, KurtYilmaz, N, Schiffer, C.A, Ali, A.
Deposit date:2021-01-14
Release date:2022-01-26
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.978 Å)
Cite:HIV-1 Protease Inhibitors with a P1 Phosphonate Modification Maintain Potency against Drug Resistant Variants by Increased van der Waals Contacts with Flaps Residues
To Be Published
7LED
DownloadVisualize
BU of 7led by Molmil
HIV-1 Protease WT (NL4-3) in Complex with PU4 (LR2-78)
Descriptor: Protease, SULFATE ION, diethyl [(4-{(2S,3R)-4-{[(2H-1,3-benzodioxol-5-yl)sulfonyl][(2S)-2-methylbutyl]amino}-2-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxybutyl}phenoxy)methyl]phosphonate
Authors:Lockbaum, G.J, Rusere, L.N, Henes, M, Kosovrasti, K, Lee, S.K, Spielvogel, E, Nalivaika, E.A, Swanstrom, R, KurtYilmaz, N, Schiffer, C.A, Ali, A.
Deposit date:2021-01-14
Release date:2022-01-26
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.996 Å)
Cite:HIV-1 Protease Inhibitors with a P1 Phosphonate Modification Maintain Potency against Drug Resistant Variants by Increased van der Waals Contacts with Flaps Residues
To Be Published
7LEB
DownloadVisualize
BU of 7leb by Molmil
HIV-1 Protease WT (NL4-3) in Complex with PU2 (LR2-79)
Descriptor: Protease, SULFATE ION, diethyl ({4-[(2S,3R)-2-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl][(2S)-2-methylbutyl]amino}butyl]phenoxy}methyl)phosphonate
Authors:Lockbaum, G.J, Rusere, L.N, Henes, M, Kosovrasti, K, Lee, S.K, Spielvogel, E, Nalivaika, E.A, Swanstrom, R, KurtYilmaz, N, Schiffer, C.A, Ali, A.
Deposit date:2021-01-14
Release date:2022-01-26
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:HIV-1 Protease Inhibitors with a P1 Phosphonate Modification Maintain Potency against Drug Resistant Variants by Increased van der Waals Contacts with Flaps Residues
To Be Published
7LEH
DownloadVisualize
BU of 7leh by Molmil
HIV-1 Protease WT (NL4-3) in Complex with PU9 (LR2-80)
Descriptor: Protease, SULFATE ION, diethyl [(4-{(2S,3R)-4-{[(2H-1,3-benzodioxol-5-yl)sulfonyl](2-ethylbutyl)amino}-2-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxybutyl}phenoxy)methyl]phosphonate
Authors:Lockbaum, G.J, Rusere, L.N, Henes, M, Kosovrasti, K, Lee, S.K, Spielvogel, E, Nalivaika, E.A, Swanstrom, R, KurtYilmaz, N, Schiffer, C.A, Ali, A.
Deposit date:2021-01-14
Release date:2022-01-26
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2 Å)
Cite:HIV-1 Protease Inhibitors with a P1 Phosphonate Modification Maintain Potency against Drug Resistant Variants by Increased van der Waals Contacts with Flaps Residues
To Be Published
3MXE
DownloadVisualize
BU of 3mxe by Molmil
Crystal structure of HIV-1 protease inhibitor, KC32 complexed with wild-type protease
Descriptor: (5S)-N-{(1S,2R)-3-[(1,3-benzothiazol-6-ylsulfonyl)(2-methylpropyl)amino]-1-benzyl-2-hydroxypropyl}-2-oxo-3-[2-(trifluoromethyl)phenyl]-1,3-oxazolidine-5-carboxamide, ACETATE ION, HIV-1 protease, ...
Authors:Nalam, M.N.L, Schiffer, C.A.
Deposit date:2010-05-07
Release date:2010-11-10
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structure-Based Design, Synthesis, and Structure-Activity Relationship Studies of HIV-1 Protease Inhibitors Incorporating Phenyloxazolidinones.
J.Med.Chem., 53, 2010
7LDY
DownloadVisualize
BU of 7ldy by Molmil
HIV-1 Protease WT (NL4-3) in Complex with TMC-126
Descriptor: (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL [(1S,2R)-1-BENZYL-2-HYDROXY-3-{ISOBUTYL[(4-METHOXYPHENYL)SULFONYL]AMINO}PROPYL]CARBAMATE, Protease, SULFATE ION
Authors:Lockbaum, G.J, Rusere, L.N, Henes, M, Kosovrasti, K, Lee, S.K, Spielvogel, E, Nalivaika, E.A, Swanstrom, R, KurtYilmaz, N, Schiffer, C.A, Ali, A.
Deposit date:2021-01-14
Release date:2022-07-06
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.984 Å)
Cite:HIV-1 Protease Inhibitors with a P1 Phosphonate Modification Maintain Potency against Drug Resistant Variants by Increased van der Waals Contacts with Flaps Residues
To Be Published
7LE0
DownloadVisualize
BU of 7le0 by Molmil
HIV-1 Protease WT (NL4-3) in Complex with a Darunavir Derivative
Descriptor: (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-4-{[(1,3-benzothiazol-6-yl)sulfonyl](2-methylpropyl)amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate, Protease, SULFATE ION
Authors:Lockbaum, G.J, Rusere, L.N, Henes, M, Kosovrasti, K, Lee, S.K, Spielvogel, E, Nalivaika, E.A, Swanstrom, R, KurtYilmaz, N, Schiffer, C.A, Ali, A.
Deposit date:2021-01-14
Release date:2022-07-06
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.952 Å)
Cite:HIV-1 Protease Inhibitors with a P1 Phosphonate Modification Maintain Potency against Drug Resistant Variants by Increased van der Waals Contacts with Flaps Residues
To Be Published
7LE2
DownloadVisualize
BU of 7le2 by Molmil
HIV-1 Protease WT (NL4-3) in Complex with UMass4
Descriptor: (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(1S,2R)-3-{(1,3-benzodioxol-5-ylsulfonyl)[(2S)-2-methylbutyl]amino}-1-benzyl-2-hydroxypropyl]carbamate, Protease, SULFATE ION
Authors:Lockbaum, G.J, Rusere, L.N, Henes, M, Kosovrasti, K, Lee, S.K, Spielvogel, E, Nalivaika, E.A, Swanstrom, R, KurtYilmaz, N, Schiffer, C.A, Ali, A.
Deposit date:2021-01-14
Release date:2022-07-06
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.971 Å)
Cite:HIV-1 Protease Inhibitors with a P1 Phosphonate Modification Maintain Potency against Drug Resistant Variants by Increased van der Waals Contacts with Flaps Residues
To Be Published
7LE1
DownloadVisualize
BU of 7le1 by Molmil
HIV-1 Protease WT (NL4-3) in Complex with UMass2
Descriptor: (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(1S,2R)-1-benzyl-2-hydroxy-3-{[(4-methoxyphenyl)sulfonyl][(2S)-2-methylbutyl]amino}propyl]carbamate, Protease, SULFATE ION
Authors:Lockbaum, G.J, Rusere, L.N, Henes, M, Kosovrasti, K, Lee, S.K, Spielvogel, E, Nalivaika, E.A, Swanstrom, R, KurtYilmaz, N, Schiffer, C.A, Ali, A.
Deposit date:2021-01-14
Release date:2022-07-06
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.001 Å)
Cite:HIV-1 Protease Inhibitors with a P1 Phosphonate Modification Maintain Potency against Drug Resistant Variants by Increased van der Waals Contacts with Flaps Residues
To Be Published
3MXD
DownloadVisualize
BU of 3mxd by Molmil
Crystal structure of HIV-1 protease inhibitor KC53 in complex with wild-type protease
Descriptor: (5S)-N-{(1S,2R)-3-[(1,3-benzodioxol-5-ylsulfonyl)(2-methylpropyl)amino]-1-benzyl-2-hydroxypropyl}-3-(2-hydroxyphenyl)-2 -oxo-1,3-oxazolidine-5-carboxamide, ACETATE ION, HIV-1 protease, ...
Authors:Nalam, M.N.L, Schiffer, C.A.
Deposit date:2010-05-07
Release date:2010-11-10
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structure-Based Design, Synthesis, and Structure-Activity Relationship Studies of HIV-1 Protease Inhibitors Incorporating Phenyloxazolidinones.
J.Med.Chem., 53, 2010
7LDZ
DownloadVisualize
BU of 7ldz by Molmil
HIV-1 Protease WT (NL4-3) in Complex with GRL-98065
Descriptor: (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(2S,3R)-3-HYDROXY-4-(N-ISOBUTYLBENZO[D][1,3]DIOXOLE-5-SULFONAMIDO)-1-PHENYLBUTAN-2-YLCARBAMATE, Protease, SULFATE ION
Authors:Lockbaum, G.J, Rusere, L.N, Henes, M, Kosovrasti, K, Lee, S.K, Spielvogel, E, Nalivaika, E.A, Swanstrom, R, KurtYilmaz, N, Schiffer, C.A, Ali, A.
Deposit date:2021-01-14
Release date:2022-07-06
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.861 Å)
Cite:HIV-1 Protease Inhibitors with a P1 Phosphonate Modification Maintain Potency against Drug Resistant Variants by Increased van der Waals Contacts with Flaps Residues
To Be Published
3EM3
DownloadVisualize
BU of 3em3 by Molmil
Crystal structure of amprenavir (APV) in complex with a drug resistant HIV-1 protease variant (I50L/A71V).
Descriptor: ACETATE ION, Protease, {3-[(4-AMINO-BENZENESULFONYL)-ISOBUTYL-AMINO]-1-BENZYL-2-HYDROXY-PROPYL}-CARBAMIC ACID TETRAHYDRO-FURAN-3-YL ESTER
Authors:Prabu-Jeyabalan, M, King, N, Royer, C, Schiffer, C.
Deposit date:2008-09-23
Release date:2009-09-01
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Kinetic and Structural Studies on Atazanavir-specific I50L Drug-Resistant HIV-1 Protease Mutant
To be Published
3EM4
DownloadVisualize
BU of 3em4 by Molmil
Crystal structure of atazanavir (ATV) in complex with I50L/A71V drug-resistant HIV-1 protease
Descriptor: (3S,8S,9S,12S)-3,12-BIS(1,1-DIMETHYLETHYL)-8-HYDROXY-4,11-DIOXO-9-(PHENYLMETHYL)-6-[[4-(2-PYRIDINYL)PHENYL]METHYL]-2,5, 6,10,13-PENTAAZATETRADECANEDIOIC ACID DIMETHYL ESTER, PHOSPHATE ION, ...
Authors:Prabu-Jeyabalan, M, King, N, Royer, C, Schiffer, C.
Deposit date:2008-09-23
Release date:2009-09-01
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Kinetic and Structural studies on atazanavir-specific I50L drug-resistant HIV-1 protease mutant
To be Published
6P6M
DownloadVisualize
BU of 6p6m by Molmil
HCV NS3/4A protease domain of genotype 1a C159 in complex with glecaprevir
Descriptor: (3aR,7S,10S,12R,21E,24aR)-7-tert-butyl-N-[(1R,2R)-2-(difluoromethyl)-1-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}cyclop ropyl]-20,20-difluoro-5,8-dioxo-2,3,3a,5,6,7,8,11,12,20,23,24a-dodecahydro-1H,10H-9,12-methanocyclopenta[18,19][1,10,17, 3,6]trioxadiazacyclononadecino[11,12-b]quinoxaline-10-carboxamide, CHLORIDE ION, ...
Authors:Timm, J, Schiffer, C.A.
Deposit date:2019-06-04
Release date:2020-06-10
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.201 Å)
Cite:HCV NS3/4A protease domain of genotype 1a in complex with glecaprevir
To Be Published
6P6R
DownloadVisualize
BU of 6p6r by Molmil
HCV NS3/4A protease domain of genotype 1a3a chimera in complex with glecaprevir
Descriptor: (3aR,7S,10S,12R,21E,24aR)-7-tert-butyl-N-[(1R,2R)-2-(difluoromethyl)-1-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}cyclop ropyl]-20,20-difluoro-5,8-dioxo-2,3,3a,5,6,7,8,11,12,20,23,24a-dodecahydro-1H,10H-9,12-methanocyclopenta[18,19][1,10,17, 3,6]trioxadiazacyclononadecino[11,12-b]quinoxaline-10-carboxamide, 1,2-ETHANEDIOL, ...
Authors:Timm, J, Schiffer, C.A.
Deposit date:2019-06-04
Release date:2020-06-10
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.749 Å)
Cite:Molecular mechanism of pan-genotypic HCV NS3/4A protease inhibition by glecaprevir and characterization of genotype-specific structural differences
To Be Published
6P6Q
DownloadVisualize
BU of 6p6q by Molmil
HCV NS3/4A protease domain of genotype 1a3a chimera in complex with grazoprevir
Descriptor: (1aR,5S,8S,10R,22aR)-5-tert-butyl-N-{(1R,2S)-1-[(cyclopropylsulfonyl)carbamoyl]-2-ethenylcyclopropyl}-14-methoxy-3,6-di oxo-1,1a,3,4,5,6,9,10,18,19,20,21,22,22a-tetradecahydro-8H-7,10-methanocyclopropa[18,19][1,10,3,6]dioxadiazacyclononadec ino[11,12-b]quinoxaline-8-carboxamide, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Non-structural protein 4A,Serine protease NS3, ...
Authors:Timm, J, Schiffer, C.A.
Deposit date:2019-06-04
Release date:2020-06-10
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Molecular mechanism of pan-genotypic HCV NS3/4A protease inhibition by glecaprevir and characterization of genotype-specific structural differences
To Be Published
6P6Z
DownloadVisualize
BU of 6p6z by Molmil
HCV NS3/4A protease domain of genotype 4a with an extended linker in complex with glecaprevir
Descriptor: (3aR,7S,10S,12R,21E,24aR)-7-tert-butyl-N-[(1R,2R)-2-(difluoromethyl)-1-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}cyclop ropyl]-20,20-difluoro-5,8-dioxo-2,3,3a,5,6,7,8,11,12,20,23,24a-dodecahydro-1H,10H-9,12-methanocyclopenta[18,19][1,10,17, 3,6]trioxadiazacyclononadecino[11,12-b]quinoxaline-10-carboxamide, Non-structural protein 4A,Serine protease NS3, ...
Authors:Timm, J, Schiffer, C.A.
Deposit date:2019-06-04
Release date:2020-06-10
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.294 Å)
Cite:Molecular mechanism of pan-genotypic HCV NS3/4A protease inhibition by glecaprevir and characterization of genotype-specific structural differences
To Be Published

224572

건을2024-09-04부터공개중

PDB statisticsPDBj update infoContact PDBjnumon