Loading
PDBj
English日本語简体中文繁體中文한국어
✖
ﾒﾆｭｰPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help
Search by PDB author
7LE6
DownloadVisualize
BU of 7le6 by Molmil
HIV-1 Protease WT (NL4-3) in Complex with UMass10
分子名称: (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
著者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.
登録日2021-01-14
公開日2022-01-26
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.962 Å)
主引用文献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)
分子名称: 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
著者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.
登録日2021-01-14
公開日2022-01-26
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.797 Å)
主引用文献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)
分子名称: 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
著者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.
登録日2021-01-14
公開日2022-01-26
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.943 Å)
主引用文献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)
分子名称: 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
著者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.
登録日2021-01-14
公開日2022-01-26
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献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
分子名称: (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
著者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.
登録日2021-01-14
公開日2022-01-26
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献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
分子名称: 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
著者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.
登録日2021-01-14
公開日2022-01-26
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.978 Å)
主引用文献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)
分子名称: 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
著者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.
登録日2021-01-14
公開日2022-01-26
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.996 Å)
主引用文献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)
分子名称: 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
著者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.
登録日2021-01-14
公開日2022-01-26
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献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)
分子名称: 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
著者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.
登録日2021-01-14
公開日2022-01-26
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献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
7LDY
DownloadVisualize
BU of 7ldy by Molmil
HIV-1 Protease WT (NL4-3) in Complex with TMC-126
分子名称: (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
著者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.
登録日2021-01-14
公開日2022-07-06
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.984 Å)
主引用文献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
分子名称: (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
著者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.
登録日2021-01-14
公開日2022-07-06
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.952 Å)
主引用文献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
分子名称: (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
著者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.
登録日2021-01-14
公開日2022-07-06
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.001 Å)
主引用文献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
分子名称: (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
著者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.
登録日2021-01-14
公開日2022-07-06
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.971 Å)
主引用文献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
7LDZ
DownloadVisualize
BU of 7ldz by Molmil
HIV-1 Protease WT (NL4-3) in Complex with GRL-98065
分子名称: (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
著者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.
登録日2021-01-14
公開日2022-07-06
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.861 Å)
主引用文献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
6UE3
DownloadVisualize
BU of 6ue3 by Molmil
Crystal structure of HCV NS3/4A D168A protease in complex with PC (JZ01-15)
分子名称: 1,2-ETHANEDIOL, GLYCEROL, NS3 protease, ...
著者Zephyr, J, Schiffer, C.A.
登録日2019-09-20
公開日2020-03-04
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.56 Å)
主引用文献Avoiding Drug Resistance by Substrate Envelope-Guided Design: Toward Potent and Robust HCV NS3/4A Protease Inhibitors.
Mbio, 11, 2020
6PJ2
DownloadVisualize
BU of 6pj2 by Molmil
Crystal structure of HCV NS3/4A D168A protease in complex with P4-P5-4 (AJ-65)
分子名称: (2R,6S,12Z,13aS,14aR,16aS)-6-[(N-acetyl-L-isoleucyl)amino]-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-N-[(1-methylcyclo propyl)sulfonyl]-5,16-dioxo-1,2,3,6,7,8,9,10,11,13a,14,15,16,16a-tetradecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacycl opentadecine-14a(5H)-carboxamide, 1,2-ETHANEDIOL, NS3 protease, ...
著者Zephyr, J, Schiffer, C.A.
登録日2019-06-27
公開日2020-03-04
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Avoiding Drug Resistance by Substrate Envelope-Guided Design: Toward Potent and Robust HCV NS3/4A Protease Inhibitors.
Mbio, 11, 2020
6PIU
DownloadVisualize
BU of 6piu by Molmil
Crystal structure of HCV NS3/4A D168A protease in complex with P4-P5-6 (NR03-68)
分子名称: 1,2-ETHANEDIOL, NS3 protease, ZINC ION, ...
著者Zephyr, J, Schiffer, C.A.
登録日2019-06-27
公開日2020-03-04
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献Avoiding Drug Resistance by Substrate Envelope-Guided Design: Toward Potent and Robust HCV NS3/4A Protease Inhibitors.
Mbio, 11, 2020
6PIY
DownloadVisualize
BU of 6piy by Molmil
Crystal structure of HCV NS3/4A D168A protease in complex with P4-2 (NR02-61)
分子名称: 1,2-ETHANEDIOL, 1-methylcyclobutyl [(2R,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]carbamate, NS3/4A protease, ...
著者Zephyr, J, Schiffer, C.A.
登録日2019-06-27
公開日2020-03-04
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.862 Å)
主引用文献Avoiding Drug Resistance by Substrate Envelope-Guided Design: Toward Potent and Robust HCV NS3/4A Protease Inhibitors.
Mbio, 11, 2020
6PIX
DownloadVisualize
BU of 6pix by Molmil
Crystal structure of HCV NS3/4A D168A protease in complex with P4-P5-5 (WK-25)
分子名称: 1,2-ETHANEDIOL, NS3/4A protease, SULFATE ION, ...
著者Zephyr, J, Schiffer, C.A.
登録日2019-06-27
公開日2020-03-04
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献Avoiding Drug Resistance by Substrate Envelope-Guided Design: Toward Potent and Robust HCV NS3/4A Protease Inhibitors.
Mbio, 11, 2020
6DH5
DownloadVisualize
BU of 6dh5 by Molmil
Crystal structure of HIV-1 Protease NL4-3 V82I Mutant in complex with UMass6
分子名称: (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(1S,2R)-3-{[(4-aminophenyl)sulfonyl](2-ethylbutyl)amino}-1-benzyl-2-hydroxypropyl]carbamate, Protease, SULFATE ION
著者Lockbaum, G.J, Schiffer, C.A.
登録日2018-05-18
公開日2018-12-26
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.008 Å)
主引用文献Structural Adaptation of Darunavir Analogues against Primary Mutations in HIV-1 Protease.
ACS Infect Dis, 5, 2019
6DH1
DownloadVisualize
BU of 6dh1 by Molmil
Crystal structure of HIV-1 Protease NL4-3 I84V Mutant in complex with UMass1
分子名称: (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(1S,2R)-3-{[(4-aminophenyl)sulfonyl][(2S)-2-methylbutyl]amino}-1-benzyl-2-hydroxypropyl]carbamate, Protease, SULFATE ION
著者Lockbaum, G.J, Schiffer, C.A.
登録日2018-05-18
公開日2018-12-26
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.971 Å)
主引用文献Structural Adaptation of Darunavir Analogues against Primary Mutations in HIV-1 Protease.
ACS Infect Dis, 5, 2019
6DGX
DownloadVisualize
BU of 6dgx by Molmil
Crystal structure of HIV-1 Protease NL4-3 WT in complex with darunavir
分子名称: (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, Protease, SULFATE ION
著者Lockbaum, G.J, Schiffer, C.A.
登録日2018-05-18
公開日2018-12-26
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.001 Å)
主引用文献Structural Adaptation of Darunavir Analogues against Primary Mutations in HIV-1 Protease.
ACS Infect Dis, 5, 2019
6DH6
DownloadVisualize
BU of 6dh6 by Molmil
Crystal structure of HIV-1 Protease NL4-3 I50V Mutant in complex with darunavir
分子名称: (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, Protease, SULFATE ION
著者Lockbaum, G.J, Schiffer, C.A.
登録日2018-05-18
公開日2018-12-26
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Structural Adaptation of Darunavir Analogues against Primary Mutations in HIV-1 Protease.
ACS Infect Dis, 5, 2019
6DGY
DownloadVisualize
BU of 6dgy by Molmil
Crystal structure of HIV-1 Protease NL4-3 WT in complex with UMass1
分子名称: (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(1S,2R)-3-{[(4-aminophenyl)sulfonyl][(2S)-2-methylbutyl]amino}-1-benzyl-2-hydroxypropyl]carbamate, Protease, SULFATE ION
著者Lockbaum, G.J, Schiffer, C.A.
登録日2018-05-18
公開日2018-12-26
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.954 Å)
主引用文献Structural Adaptation of Darunavir Analogues against Primary Mutations in HIV-1 Protease.
ACS Infect Dis, 5, 2019
6DH7
DownloadVisualize
BU of 6dh7 by Molmil
Crystal structure of HIV-1 Protease NL4-3 I50V Mutant in complex with UMass1
分子名称: (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(1S,2R)-3-{[(4-aminophenyl)sulfonyl][(2S)-2-methylbutyl]amino}-1-benzyl-2-hydroxypropyl]carbamate, Protease, SULFATE ION
著者Lockbaum, G.J, Schiffer, C.A.
登録日2018-05-18
公開日2018-12-26
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.997 Å)
主引用文献Structural Adaptation of Darunavir Analogues against Primary Mutations in HIV-1 Protease.
ACS Infect Dis, 5, 2019

222926

件を2024-07-24に公開中

PDB statisticsPDBj update infoContact PDBjnumon