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PDB: 2660 results
7M9R
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BU of 7m9r by Molmil
HIV-1 Protease WT (NL4-3) in Complex with LR4-44
Descriptor: (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-[{4-[(1S)-1-hydroxyethyl]benzene-1-sulfonyl}(2-methylpropyl)amino]butan-2-yl}carbamate, Protease, SULFATE ION
Authors:Lockbaum, G.J, Schiffer, C.A.
Deposit date:2021-03-31
Release date:2022-04-06
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.891 Å)
Cite:HIV-1 Protease WT (NL4-3) in Complex with LR4-44
To Be Published
7MAI
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BU of 7mai by Molmil
HIV-1 Protease (I84V) in Complex with PU5 (LR4-47)
Descriptor: Protease, diethyl [(4-{(2S,3R)-4-{[(1,3-benzothiazol-6-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, Schiffer, C.A.
Deposit date:2021-03-31
Release date:2022-04-06
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:HIV-1 Protease (I84V) in Complex with PU5 (LR4-47)
To Be Published
7MHC
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BU of 7mhc by Molmil
Structure of human STING in complex with MK-1454
Descriptor: (2R,5R,7R,8S,10R,12aR,14R,15S,15aR,16R)-7-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-14-(6-amino-9H-purin-9-yl)-15,16-difluoro-2,10-bis(sulfanyl)octahydro-2H,10H,12H-5,8-methano-2lambda~5~,10lambda~5~-furo[3,2-l][1,3,6,9,11,2,10]pentaoxadiphosphacyclotetradecine-2,10-dione, Stimulator of interferon genes protein
Authors:Lesburg, C.A.
Deposit date:2021-04-15
Release date:2022-04-06
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.32 Å)
Cite:A kinase-cGAS cascade to synthesize a therapeutic STING activator.
Nature, 603, 2022
8DSV
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BU of 8dsv by Molmil
The structure of NicA2 in complex with N-methylmyosmine
Descriptor: DI(HYDROXYETHYL)ETHER, DIHYDROFLAVINE-ADENINE DINUCLEOTIDE, FAD-dependent oxidoreductase, ...
Authors:Wu, K, Dulchavsky, M, Li, J, Bardwell, J.C.A.
Deposit date:2022-07-22
Release date:2023-07-26
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Directed evolution unlocks oxygen reactivity for a nicotine-degrading flavoenzyme.
Nat.Chem.Biol., 19, 2023
8DQ7
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BU of 8dq7 by Molmil
The structure of NicA2 variant F104L/A107T/S146I/G317D/H368R/L449V/N462S from Pseudomonas putida
Descriptor: Amine oxidase, DIHYDROFLAVINE-ADENINE DINUCLEOTIDE
Authors:Wu, K, Dulchavsky, M, Li, J, Bardwell, J.C.A.
Deposit date:2022-07-18
Release date:2023-07-26
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Directed evolution unlocks oxygen reactivity for a nicotine-degrading flavoenzyme.
Nat.Chem.Biol., 2023
7M9O
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BU of 7m9o by Molmil
HIV-1 Protease (I84V) in Complex with LR3-48
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-[(1R)-1-hydroxyethyl]benzene-1-sulfonyl}(2-methylpropyl)amino]butyl}phenoxy)methyl]phosphonate
Authors:Lockbaum, G.J, Schiffer, C.A.
Deposit date:2021-03-31
Release date:2022-04-20
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.895 Å)
Cite:HIV-1 Protease in Complex with ligands
To Be Published
8DQ8
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BU of 8dq8 by Molmil
The structure of NicA2 variant F104L/A107T/S146I/G317D/H368R/L449V/N462S in complex with N-methylmyosmine
Descriptor: (S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE, 1,2-ETHANEDIOL, Amine oxidase, ...
Authors:Wu, K, Dulchavsky, M, Li, J, Bardwell, J.C.A.
Deposit date:2022-07-18
Release date:2023-07-26
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Directed evolution unlocks oxygen reactivity for a nicotine-degrading flavoenzyme.
Nat.Chem.Biol., 19, 2023
7M9M
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BU of 7m9m by Molmil
HIV-1 Protease WT (NL4-3) in Complex with LR3-55
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-[(1S)-1-hydroxyethyl]benzene-1-sulfonyl}[(2S)-2-methylbutyl]amino)butyl]phenoxy}methyl)phosphonate
Authors:Lockbaum, G.J, Schiffer, C.A.
Deposit date:2021-03-31
Release date:2022-04-20
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.881 Å)
Cite:HIV-1 Protease in Complex with ligands
To Be Published
7MAG
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BU of 7mag by Molmil
HIV-1 Protease (I84V) in Complex with PU3 (LR3-69)
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-(hydroxymethyl)phenyl]sulfonyl}[(2S)-2-methylbutyl]amino)butyl]phenoxy}methyl)phosphonate
Authors:Lockbaum, G.J, Schiffer, C.A.
Deposit date:2021-03-31
Release date:2022-04-20
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:HIV-1 Protease in Complex with ligands
To Be Published
7M9P
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BU of 7m9p by Molmil
HIV-1 Protease (I84V) in Complex with LR3-55
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-[(1S)-1-hydroxyethyl]benzene-1-sulfonyl}[(2S)-2-methylbutyl]amino)butyl]phenoxy}methyl)phosphonate
Authors:Lockbaum, G.J, Schiffer, C.A.
Deposit date:2021-03-31
Release date:2022-04-20
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.819 Å)
Cite:HIV-1 Protease in Complex with ligands
To Be Published
7MAK
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BU of 7mak by Molmil
HIV-1 Protease (I84V) in Complex with PU7 (LR3-67)
Descriptor: Protease, SULFATE ION, diethyl [(4-{(2S,3R)-4-{(2-ethylbutyl)[(4-methoxyphenyl)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, Schiffer, C.A.
Deposit date:2021-03-31
Release date:2022-04-20
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.972 Å)
Cite:HIV-1 Protease in Complex with ligands
To Be Published
7MAE
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BU of 7mae by Molmil
HIV-1 Protease (I84V) 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, Schiffer, C.A.
Deposit date:2021-03-31
Release date:2022-04-20
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.735 Å)
Cite:HIV-1 Protease in Complex with ligands
To Be Published
5MM4
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BU of 5mm4 by Molmil
Ustilago maydis kinesin-5 motor domain in the AMPPNP state bound to microtubules
Descriptor: GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
Authors:Moores, C.A, von Loeffelholz, O.
Deposit date:2016-12-08
Release date:2018-06-27
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (4.5 Å)
Cite:Cryo-EM structure of the Ustilago maydis kinesin-5 motor domain bound to microtubules.
J.Struct.Biol., 2019
7M9N
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BU of 7m9n by Molmil
HIV-1 Protease (I84V) in Complex with LR3-68
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-[(1S)-1-hydroxyethyl]benzene-1-sulfonyl}(2-methylpropyl)amino]butyl}phenoxy)methyl]phosphonate
Authors:Lockbaum, G.J, Schiffer, C.A.
Deposit date:2021-03-31
Release date:2022-04-20
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:HIV-1 Protease in Complex with ligands
To Be Published
7M9I
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BU of 7m9i by Molmil
HIV-1 Protease (I84V) in Complex with LR2-26
Descriptor: (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-4-[({4-[(1R)-1,2-dihydroxyethyl]phenyl}sulfonyl)(2-ethylbutyl)amino]-3-hydroxy-1-phenylbutan-2-yl}carbamate, Protease, SULFATE ION
Authors:Lockbaum, G.J, Schiffer, C.A.
Deposit date:2021-03-31
Release date:2022-04-27
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.817 Å)
Cite:HIV-1 Protease (I84V) in Complex with LR2-26
To Be Published
7MAF
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BU of 7maf by Molmil
HIV-1 Protease (I84V) 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, Schiffer, C.A.
Deposit date:2021-03-31
Release date:2022-04-27
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.902 Å)
Cite:HIV-1 Protease (I84V) in Complex with PU2 (LR2-79)
To Be Published
7M9K
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BU of 7m9k by Molmil
HIV-1 Protease WT (NL4-3) in Complex with LR3-48
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-[(1R)-1-hydroxyethyl]benzene-1-sulfonyl}(2-methylpropyl)amino]butyl}phenoxy)methyl]phosphonate
Authors:Lockbaum, G.J, Schiffer, C.A.
Deposit date:2021-03-31
Release date:2022-04-20
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.838 Å)
Cite:HIV-1 Protease in Complex with ligands
To Be Published
7MAJ
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BU of 7maj by Molmil
HIV-1 Protease (I84V) in Complex with PU6 (LR3-66)
Descriptor: Protease, SULFATE ION, diethyl [(4-{(2S,3R)-4-{[(4-aminophenyl)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, Schiffer, C.A.
Deposit date:2021-03-31
Release date:2022-04-20
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.871 Å)
Cite:HIV-1 Protease in Complex with ligands
To Be Published
7M9G
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BU of 7m9g by Molmil
HIV-1 Protease (I84V) in Complex with LR2-18
Descriptor: (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-4-[({4-[(1R)-1,2-dihydroxyethyl]phenyl}sulfonyl)(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl}carbamate, Protease, SULFATE ION
Authors:Lockbaum, G.J, Schiffer, C.A.
Deposit date:2021-03-31
Release date:2022-04-27
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:HIV-1 Protease (I84V) in Complex with LR2-18
To Be Published
7M9H
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BU of 7m9h by Molmil
HIV-1 Protease (I84V) in Complex with LR2-20
Descriptor: (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-4-{({4-[(1R)-1,2-dihydroxyethyl]phenyl}sulfonyl)[(2S)-2-methylbutyl]amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate, Protease, SULFATE ION
Authors:Lockbaum, G.J, Schiffer, C.A.
Deposit date:2021-03-31
Release date:2022-04-27
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.891 Å)
Cite:HIV-1 Protease (I84V) in Complex with LR2-20
To Be Published
7MAH
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BU of 7mah by Molmil
HIV-1 Protease (I84V) 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, Schiffer, C.A.
Deposit date:2021-03-31
Release date:2022-04-27
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.881 Å)
Cite:HIV-1 Protease (I84V) in Complex with PU4 (LR2-78)
To Be Published
7MAB
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BU of 7mab by Molmil
HIV-1 Protease (I84V) 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, Schiffer, C.A.
Deposit date:2021-03-31
Release date:2022-04-27
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.879 Å)
Cite:HIV-1 Protease (I84V) in Complex with GS-8374
To Be Published
7MAN
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BU of 7man by Molmil
HIV-1 Protease (I84V) 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, Schiffer, C.A.
Deposit date:2021-03-31
Release date:2022-04-27
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.892 Å)
Cite:HIV-1 Protease (I84V) in Complex with PU9 (LR2-80)
To Be Published
7M9J
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BU of 7m9j by Molmil
HIV-1 Protease WT (NL4-3) in Complex with LR3-68
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-[(1S)-1-hydroxyethyl]benzene-1-sulfonyl}(2-methylpropyl)amino]butyl}phenoxy)methyl]phosphonate
Authors:Lockbaum, G.J, Schiffer, C.A.
Deposit date:2021-03-31
Release date:2022-04-27
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.859 Å)
Cite:HIV-1 Protease in Complex with ligands
To Be Published
7MA1
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BU of 7ma1 by Molmil
HIV-1 Protease (I84V) 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, Schiffer, C.A.
Deposit date:2021-03-31
Release date:2022-04-27
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.848 Å)
Cite:HIV-1 Protease (I84V) in Complex with GRL-98065
To Be Published

226707

数据于2024-10-30公开中

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