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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
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
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
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
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
7MA0
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BU of 7ma0 by Molmil
HIV-1 Protease (I84V) in Complex with LR2-91
Descriptor: (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-3-hydroxy-4-[{[4-(hydroxymethyl)phenyl]sulfonyl}(2-methylpropyl)amino]-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 (1.92 Å)
Cite:HIV-1 Protease (I84V) in Complex with LR2-91
To Be Published
7MA2
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BU of 7ma2 by Molmil
HIV-1 Protease (I84V) 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, Schiffer, C.A.
Deposit date:2021-03-31
Release date:2022-04-27
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.869 Å)
Cite:HIV-1 Protease (I84V) in Complex with a Darunavir Derivative
To Be Published
7M9Z
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BU of 7m9z by Molmil
HIV-1 Protease (I84V) 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, Schiffer, C.A.
Deposit date:2021-03-31
Release date:2022-04-27
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.828 Å)
Cite:HIV-1 Protease (I84V) in Complex with TMC-126
To Be Published
1BSP
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BU of 1bsp by Molmil
THERMOSTABLE THYMIDYLATE SYNTHASE A FROM BACILLUS SUBTILIS
Descriptor: PHOSPHATE ION, THYMIDYLATE SYNTHASE A
Authors:Stout, T.J, Schellenberger, U, Santi, D.V, Stroud, R.M.
Deposit date:1998-07-09
Release date:1999-02-16
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structures of a unique thermal-stable thymidylate synthase from Bacillus subtilis.
Biochemistry, 37, 1998
8FWX
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BU of 8fwx by Molmil
Apo crystal structure of beluga whale Gammacoronavirus SW1 Mpro
Descriptor: DI(HYDROXYETHYL)ETHER, Main Protease, SULFATE ION
Authors:Ornelas, E, Knapp, M.S.
Deposit date:2023-01-23
Release date:2023-03-29
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:Crystal Structures of Inhibitor-Bound Main Protease from Delta- and Gamma-Coronaviruses.
Viruses, 15, 2023
6WKW
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BU of 6wkw by Molmil
EM structure of CtBP2 with a minimal dehydrogenase domain of CtBP2
Descriptor: C-terminal-binding protein 2, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Jecrois, A.M.
Deposit date:2020-04-17
Release date:2020-12-02
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Cryo-EM structure of CtBP2 confirms tetrameric architecture.
Structure, 29, 2021
7R8N
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BU of 7r8n by Molmil
Structure of the SARS-CoV-2 S 6P trimer in complex with neutralizing antibody C051
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, C051 Fab Heavy Chain, ...
Authors:Barnes, C.O, Bjorkman, P.J.
Deposit date:2021-06-26
Release date:2021-08-04
Last modified:2021-10-06
Method:ELECTRON MICROSCOPY (3.55 Å)
Cite:Affinity maturation of SARS-CoV-2 neutralizing antibodies confers potency, breadth, and resilience to viral escape mutations.
Immunity, 54, 2021
7R8O
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BU of 7r8o by Molmil
Structure of the SARS-CoV-2 S 6P trimer in complex with neutralizing antibody C548
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:DeLaitsch, A.T, Barnes, C.O, Bjorkman, P.J.
Deposit date:2021-06-26
Release date:2021-08-04
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Affinity maturation of SARS-CoV-2 neutralizing antibodies confers potency, breadth, and resilience to viral escape mutations.
Immunity, 54, 2021
7R8L
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BU of 7r8l by Molmil
Structure of the SARS-CoV-2 RBD in complex with neutralizing antibody C099 and CR3022
Descriptor: C099 Fab Heavy Chain, C099 Fab Light Chain, CR3022 Fab heavy chain, ...
Authors:Barnes, C.O, Bjorkman, P.J.
Deposit date:2021-06-26
Release date:2021-08-04
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Affinity maturation of SARS-CoV-2 neutralizing antibodies confers potency, breadth, and resilience to viral escape mutations.
Immunity, 54, 2021
7R8M
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BU of 7r8m by Molmil
Structure of the SARS-CoV-2 S 6P trimer in complex with neutralizing antibody C032
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:DeLaitsch, A.T, Barnes, C.O, Bjorkman, P.J.
Deposit date:2021-06-26
Release date:2021-08-04
Last modified:2024-11-13
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Affinity maturation of SARS-CoV-2 neutralizing antibodies confers potency, breadth, and resilience to viral escape mutations.
Immunity, 54, 2021
4OBJ
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BU of 4obj by Molmil
Crystal Structure of Inactive HIV-1 Protease in Complex with the p1-p6 substrate variant (S451N)
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, GLYCEROL, ...
Authors:Kolli, M.
Deposit date:2014-01-07
Release date:2014-11-26
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:HIV-1 protease-substrate coevolution in nelfinavir resistance.
J.Virol., 88, 2014
4OBF
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BU of 4obf by Molmil
Crystal Structure of Nelfinavir-Resistant, Inactive HIV-1 Protease Variant (D30N/N88D) in Complex with the p1-p6 substrate variant (S451N)
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, GLYCEROL, ...
Authors:Kolli, M.
Deposit date:2014-01-07
Release date:2014-11-26
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:HIV-1 protease-substrate coevolution in nelfinavir resistance.
J.Virol., 88, 2014
4OBH
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BU of 4obh by Molmil
Crystal Structure of Inactive HIV-1 Protease in Complex with the p1-p6 substrate variant (L449F)
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, GLYCEROL, ...
Authors:Kolli, M.
Deposit date:2014-01-07
Release date:2014-11-26
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:HIV-1 protease-substrate coevolution in nelfinavir resistance.
J.Virol., 88, 2014
4OBD
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BU of 4obd by Molmil
Crystal Structure of Nelfinavir-Resistant, Inactive HIV-1 Protease (D30N/N88D) in Complex with the p1-p6 substrate variant (L449F/S451N)
Descriptor: 1,2-ETHANEDIOL, GLYCEROL, HIV-1 Protease, ...
Authors:Kolli, M.
Deposit date:2014-01-07
Release date:2014-11-26
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:HIV-1 protease-substrate coevolution in nelfinavir resistance.
J.Virol., 88, 2014

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