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3OXW
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BU of 3oxw by Molmil
Crystal Structure of HIV-1 I50V, A71V Protease in Complex with the Protease Inhibitor Darunavir
Descriptor: (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, 1,2-ETHANEDIOL, ACETATE ION, ...
Authors:Mittal, S, Bandaranayake, R.M, Schiffer, C.A.
Deposit date:2010-09-22
Release date:2011-09-28
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structural and thermodynamic basis of amprenavir/darunavir and atazanavir resistance in HIV-1 protease with mutations at residue 50.
J.Virol., 87, 2013
3OXV
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BU of 3oxv by Molmil
Crystal Structure of HIV-1 I50V, A71 Protease in Complex with the protease inhibitor amprenavir.
Descriptor: ACETATE ION, GLYCEROL, HIV-1 Protease, ...
Authors:Schiffer, C.A, Mittal, S, Bandaranayake, R.M.
Deposit date:2010-09-22
Release date:2011-09-28
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structural and thermodynamic basis of amprenavir/darunavir and atazanavir resistance in HIV-1 protease with mutations at residue 50.
J.Virol., 87, 2013
4F74
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BU of 4f74 by Molmil
Crystal Structure of active HIV-1 Protease in Complex with the N terminal product of the substrate MA-CA.
Descriptor: N terminal product of substrate MA-CA, Protease
Authors:Schiffer, C.A, Mittal, S, Nalam, M.N.L.
Deposit date:2012-05-15
Release date:2013-05-15
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal Structure of active HIV-1 Protease in Complex with the N terminal product of the substrate MA-CA.
To be Published
4F73
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BU of 4f73 by Molmil
Crystal Structure of active HIV-1 Protease in Complex with the N terminal product of CA-p2 cleavage site
Descriptor: ACETATE ION, GLYCEROL, N terminal product of substrate CA-p2, ...
Authors:Schiffer, C.A, Mittal, S, Nalam, M.N.L.
Deposit date:2012-05-15
Release date:2013-05-15
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal Structure of active HIV-1 Protease in Complex with the N terminal product of CA-p2 cleavage site
To be Published
4F76
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BU of 4f76 by Molmil
Crystal Structure of the active HIV-1 Protease in Complex with the products of p1-p6 substrate
Descriptor: C terminal product of substrate p1-p6, N terminal product of substrate p1-p6, Protease
Authors:Schiffer, C.A, Nalam, M.N.L, Mittal, S.
Deposit date:2012-05-15
Release date:2013-05-15
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Crystal Structure of the active HIV-1 Protease in Complex with the products of p1-p6 substrate
To be Published
4F75
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BU of 4f75 by Molmil
Crystal Structure of active HIV-1 Protease in Complex with the N terminal product of the substrate RH-IN
Descriptor: ACETATE ION, C terminal product of substrate RH-IN, GLYCEROL, ...
Authors:Schiffer, C.A, Mittal, S, Nalam, M.N.L.
Deposit date:2012-05-15
Release date:2013-05-15
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal Structure of active HIV-1 Protease in Complex with the N terminal product of the substrate RH-IN
To be Published
4DQH
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BU of 4dqh by Molmil
Crystal Structure of (R14C/E65C) HIV-1 Protease in complex with DRV
Descriptor: (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, GLYCEROL, Wild-type HIV-1 protease dimer
Authors:Schiffer, C.A, Mittal, S.
Deposit date:2012-02-15
Release date:2012-03-07
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Hydrophobic core flexibility modulates enzyme activity in HIV-1 protease.
J.Am.Chem.Soc., 134, 2012
4DQB
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BU of 4dqb by Molmil
Crystal Structure of wild-type HIV-1 Protease in Complex with DRV
Descriptor: (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, 1,2-ETHANEDIOL, Aspartyl protease, ...
Authors:Schiffer, C.A, Mittal, S.
Deposit date:2012-02-15
Release date:2012-03-07
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Hydrophobic core flexibility modulates enzyme activity in HIV-1 protease.
J.Am.Chem.Soc., 134, 2012
4DQC
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BU of 4dqc by Molmil
Crystal Structure of (G16C/L38C) HIV-1 Protease in Complex with DRV
Descriptor: (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, Aspartyl protease, GLYCEROL, ...
Authors:Schiffer, C.A, Mittal, S.
Deposit date:2012-02-15
Release date:2012-03-07
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Hydrophobic core flexibility modulates enzyme activity in HIV-1 protease.
J.Am.Chem.Soc., 134, 2012
4DQG
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BU of 4dqg by Molmil
Crystal Structure of apo(G16C/L38C) HIV-1 Protease
Descriptor: ACETATE ION, Aspartyl protease, GLYCEROL, ...
Authors:Schiffer, C.A, Mittal, S.
Deposit date:2012-02-15
Release date:2012-03-07
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (2.79 Å)
Cite:Hydrophobic core flexibility modulates enzyme activity in HIV-1 protease.
J.Am.Chem.Soc., 134, 2012
4DQF
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BU of 4dqf by Molmil
Crystal Structure of (G16A/L38A) HIV-1 Protease in Complex with DRV
Descriptor: (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, 1,2-ETHANEDIOL, Aspartyl protease, ...
Authors:Schiffer, C.A, Mittal, S.
Deposit date:2012-02-15
Release date:2012-03-07
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Hydrophobic core flexibility modulates enzyme activity in HIV-1 protease.
J.Am.Chem.Soc., 134, 2012
4DQE
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BU of 4dqe by Molmil
Crystal Structure of (G16C/L38C) HIV-1 Protease in Complex with DRV
Descriptor: (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, ACETATE ION, Aspartyl protease
Authors:Schiffer, C.A, Mittal, S.
Deposit date:2012-02-15
Release date:2012-03-07
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Hydrophobic core flexibility modulates enzyme activity in HIV-1 protease.
J.Am.Chem.Soc., 134, 2012
4EP3
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BU of 4ep3 by Molmil
Crystal Structure of inactive single chain wild-type HIV-1 Protease in Complex with the substrate CA-p2
Descriptor: BETA-MERCAPTOETHANOL, GLYCEROL, protease, ...
Authors:Schiffer, C.A, Mittal, S.
Deposit date:2012-04-16
Release date:2012-06-06
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Structural, kinetic, and thermodynamic studies of specificity designed HIV-1 protease.
Protein Sci., 21, 2012
4EP2
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BU of 4ep2 by Molmil
Crystal Structure of inactive single chain wild-type HIV-1 Protease in Complex with the substrate RT-RH
Descriptor: GLYCEROL, PHOSPHATE ION, protease, ...
Authors:Schiffer, C.A, Mittal, S.
Deposit date:2012-04-16
Release date:2012-06-06
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural, kinetic, and thermodynamic studies of specificity designed HIV-1 protease.
Protein Sci., 21, 2012
4EPJ
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BU of 4epj by Molmil
Crystal Structure of inactive single chain wild-type HIV-1 Protease in Complex with the substrate p2-NC
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, BETA-MERCAPTOETHANOL, ...
Authors:Schiffer, C.A, Mittal, S.
Deposit date:2012-04-17
Release date:2012-06-06
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Structural, kinetic, and thermodynamic studies of specificity designed HIV-1 protease.
Protein Sci., 21, 2012
4EQJ
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BU of 4eqj by Molmil
Crystal Structure of inactive single chain variant of HIV-1 Protease in Complex with the substrate RT-RH
Descriptor: 1,2-ETHANEDIOL, GLYCEROL, protease, ...
Authors:Schiffer, C.A, Mittal, S.
Deposit date:2012-04-19
Release date:2012-06-06
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural, kinetic, and thermodynamic studies of specificity designed HIV-1 protease.
Protein Sci., 21, 2012
4EQ0
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BU of 4eq0 by Molmil
Crystal Structure of inactive single chain variant of HIV-1 Protease in Complex with the substrate p2-NC
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, BETA-MERCAPTOETHANOL, ...
Authors:Schiffer, C.A, Mittal, S.
Deposit date:2012-04-17
Release date:2012-06-06
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural, kinetic, and thermodynamic studies of specificity designed HIV-1 protease.
Protein Sci., 21, 2012
3OXX
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BU of 3oxx by Molmil
Crystal Structure of HIV-1 I50V, A71V Protease in Complex with the Protease Inhibitor Atazanavir
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, 1,2-ETHANEDIOL, ...
Authors:Schiffer, C.A, Bandaranayake, R.M.
Deposit date:2010-09-22
Release date:2011-09-28
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structural and thermodynamic basis of amprenavir/darunavir and atazanavir resistance in HIV-1 protease with mutations at residue 50.
J.Virol., 87, 2013
6Y7T
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BU of 6y7t by Molmil
Engineered conjugation of lysine-specific molecular tweezers with ExoS derived peptidic inhibitor enhance affinity towards target protein 14-3-3 through ditopic binding
Descriptor: 14-3-3 protein sigma, ExoSTWZ molecular tweezer, Exoenzyme S, ...
Authors:Guillory, X, Ottmann, C.
Deposit date:2020-03-02
Release date:2021-03-31
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Supramolecular Enhancement of a Natural 14-3-3 Protein Ligand.
J.Am.Chem.Soc., 143, 2021
5M35
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BU of 5m35 by Molmil
The molecular tweezer CLR01 stabilizes a disordered protein-protein interface
Descriptor: 14-3-3 protein zeta/delta, BENZOIC ACID, GLYCEROL, ...
Authors:Bier, D, Ottmann, C.
Deposit date:2016-10-14
Release date:2017-11-15
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.38 Å)
Cite:The Molecular Tweezer CLR01 Stabilizes a Disordered Protein-Protein Interface.
J. Am. Chem. Soc., 139, 2017
5M36
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BU of 5m36 by Molmil
The molecular tweezer CLR01 stabilizes a disordered protein-protein interface
Descriptor: (1R,5S,9S,16R,20R,24S,28S,35R)-3,22-Bis(dihydroxyphosphoryloxy)tridecacyclo[22.14.1.15,20.19,16.128,35.02,23.04,21.06,19.08,17.010,15.025,38.027,36.029,34]dotetraconta-2(23),3,6,8(17),10,12,14,18,21,25,27(36),29,31,33,37-pentadecaene, 14-3-3 protein zeta/delta, BENZOIC ACID, ...
Authors:Bier, D, Ottmann, C.
Deposit date:2016-10-14
Release date:2017-11-15
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:The Molecular Tweezer CLR01 Stabilizes a Disordered Protein-Protein Interface.
J. Am. Chem. Soc., 139, 2017
5M37
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BU of 5m37 by Molmil
The molecular tweezer CLR01 stabilizes a disordered protein-protein interface
Descriptor: (1R,5S,9S,16R,20R,24S,28S,35R)-3,22-Bis(dihydroxyphosphoryloxy)tridecacyclo[22.14.1.15,20.19,16.128,35.02,23.04,21.06,19.08,17.010,15.025,38.027,36.029,34]dotetraconta-2(23),3,6,8(17),10,12,14,18,21,25,27(36),29,31,33,37-pentadecaene, 14-3-3 protein zeta/delta, BENZOIC ACID, ...
Authors:Bier, D, Ottmann, C.
Deposit date:2016-10-14
Release date:2017-11-15
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:The Molecular Tweezer CLR01 Stabilizes a Disordered Protein-Protein Interface.
J. Am. Chem. Soc., 139, 2017
7KUK
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BU of 7kuk by Molmil
High resolution RNA primer complex with guanosine dinucleotide ligand G(5')ppp(5')G
Descriptor: DIGUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, RNA (5'-R(*(LKC)P*(LCC)P*(LCC)P*(LCG)P*AP*CP*UP*UP*AP*AP*GP*UP*CP*G)-3')
Authors:Fang, Z, Giurgiu, C, Szostak, J.W.
Deposit date:2020-11-25
Release date:2021-09-08
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Structure-Activity Relationships in Nonenzymatic Template-Directed RNA Synthesis.
Angew.Chem.Int.Ed.Engl., 60, 2021
7KUP
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BU of 7kup by Molmil
2'-OMe modification at 3' end of RNA primer complex with guanosine dinucleotide ligand G(5')ppp(5')G
Descriptor: 5'-R((LCC)P*(LCC)P*(LCC)P*(LCG)P*AP*CP*UP*UP*AP*AP*GP*UP*CP*(OMG))-3', DIGUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION
Authors:Fang, Z, Giurgiu, C, Szostak, J.W.
Deposit date:2020-11-25
Release date:2021-09-08
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.44 Å)
Cite:Structure-Activity Relationships in Nonenzymatic Template-Directed RNA Synthesis.
Angew.Chem.Int.Ed.Engl., 60, 2021
7KUM
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BU of 7kum by Molmil
LNA modification at 3' end of RNA primer complex with guanosine dinucleotide ligand G(5')ppp(5')G
Descriptor: 5'-R((LCC)P*(LCC)P*(LCC)P*(LCG)P*AP*CP*UP*UP*AP*AP*GP*UP*CP*(LCG)-3', DIGUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION
Authors:Fang, Z, Giurgiu, C, Szostak, J.W.
Deposit date:2020-11-25
Release date:2021-09-08
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.714 Å)
Cite:Structure-Activity Relationships in Nonenzymatic Template-Directed RNA Synthesis.
Angew.Chem.Int.Ed.Engl., 60, 2021

 

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