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PDB: 40 results

4X3R
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Avi-GCPII structure in complex with FITC-conjugated GCPII-specific inhibitor
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Tykvart, J, Konvalinka, J.
Deposit date:2014-12-01
Release date:2015-10-14
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Design of highly potent urea-based, exosite-binding inhibitors selective for glutamate carboxypeptidase II.
J.Med.Chem., 58, 2015
5F09
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Structure of inactive GCPII mutant in complex with beta-citryl glutamate
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Tykvart, J, Navratil, M, Pachl, P, Konvalinka, J.
Deposit date:2015-11-27
Release date:2016-06-01
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Comparison of human glutamate carboxypeptidases II and III reveals their divergent substrate specificities.
Febs J., 283, 2016
2PYM
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BU of 2pym by Molmil
HIV-1 PR mutant in complex with nelfinavir
Descriptor: 2-[2-HYDROXY-3-(3-HYDROXY-2-METHYL-BENZOYLAMINO)-4-PHENYL SULFANYL-BUTYL]-DECAHYDRO-ISOQUINOLINE-3-CARBOXYLIC ACID TERT-BUTYLAMIDE, PROTEASE RETROPEPSIN
Authors:Rezacova, P, Kozisek, M, Saskova, K, Brynda, J, Konvalinka, J.
Deposit date:2007-05-16
Release date:2008-02-26
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Molecular analysis of the HIV-1 resistance development: enzymatic activities, crystal structures, and thermodynamics of nelfinavir-resistant HIV protease mutants
J.Mol.Biol., 374, 2007
2Q63
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HIV-1 PR mutant in complex with nelfinavir
Descriptor: 2-[2-HYDROXY-3-(3-HYDROXY-2-METHYL-BENZOYLAMINO)-4-PHENYL SULFANYL-BUTYL]-DECAHYDRO-ISOQUINOLINE-3-CARBOXYLIC ACID TERT-BUTYLAMIDE, PROTEASE RETROPEPSIN
Authors:Rezacova, P, Kozisek, M, Saskova, K, Brynda, J, Konvalinka, J.
Deposit date:2007-06-04
Release date:2008-02-26
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Molecular analysis of the HIV-1 resistance development: enzymatic activities, crystal structures, and thermodynamics of nelfinavir-resistant HIV protease mutants
J.Mol.Biol., 374, 2007
2Q64
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HIV-1 PR mutant in complex with nelfinavir
Descriptor: 2-[2-HYDROXY-3-(3-HYDROXY-2-METHYL-BENZOYLAMINO)-4-PHENYL SULFANYL-BUTYL]-DECAHYDRO-ISOQUINOLINE-3-CARBOXYLIC ACID TERT-BUTYLAMIDE, PROTEASE RETROPEPSIN
Authors:Rezacova, P, Kozisek, M, Saskova, K, Brynda, J, Konvalinka, J.
Deposit date:2007-06-04
Release date:2008-02-26
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Molecular analysis of the HIV-1 resistance development: enzymatic activities, crystal structures, and thermodynamics of nelfinavir-resistant HIV protease mutants
J.Mol.Biol., 374, 2007
4TWE
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Structure of ligand-free N-acetylated-alpha-linked-acidic-dipeptidase like protein (NAALADaseL)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Tykvart, J, Barinka, C, Lubkowski, J, Sacha, P, Konvalinka, J.
Deposit date:2014-06-30
Release date:2015-03-18
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structural and biochemical characterization of a novel aminopeptidase from human intestine.
J.Biol.Chem., 290, 2015
1FQX
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CRYSTAL STRUCTURE OF THE COMPLEX OF HIV-1 PROTEASE WITH A PEPTIDOMIMETIC INHIBITOR
Descriptor: N-{(2S,3S)-3-[(tert-butoxycarbonyl)amino]-2-hydroxy-4-phenylbutyl}-L-phenylalanyl-L-alpha-glutamyl-L-phenylalaninamide, PROTEASE RETROPEPSIN
Authors:Dohnalek, J, Hasek, J, Duskova, J, Petrokova, H, Hradilek, M, Soucek, M, Konvalinka, J, Brynda, J, Sedlacek, J, Fabry, M.
Deposit date:2000-09-07
Release date:2001-03-14
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:A distinct binding mode of a hydroxyethylamine isostere inhibitor of HIV-1 protease.
Acta Crystallogr.,Sect.D, 57, 2001
2QHC
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The Influence of I47A Mutation on Reduced Susceptibility to the Protease Inhibitor Lopinavir
Descriptor: BETA-MERCAPTOETHANOL, N-{1-BENZYL-4-[2-(2,6-DIMETHYL-PHENOXY)-ACETYLAMINO]-3-HYDROXY-5-PHENYL-PENTYL}-3-METHYL-2-(2-OXO-TETRAHYDRO-PYRIMIDIN-1-YL)-BUTYRAMIDE, PROTEASE RETROPEPSIN
Authors:Brynda, J, Saskova, K.G, Kozisek, M, Lepsik, M, Machala, L, Konvalinka, J.
Deposit date:2007-07-02
Release date:2008-07-22
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.802 Å)
Cite:Enzymatic and structural analysis of the I47A mutation contributing to the reduced susceptibility to HIV protease inhibitor lopinavir.
Protein Sci., 17, 2008
3TTP
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BU of 3ttp by Molmil
Structure of multiresistant HIV-1 protease in complex with darunavir
Descriptor: (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, BETA-MERCAPTOETHANOL, CHLORIDE ION, ...
Authors:Saskova, K.G, Brynda, J, Kozisek, M, Konvalinka, J, Rezacova, P.
Deposit date:2011-09-15
Release date:2012-09-26
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:Thermodynamic and structural analysis of HIV protease resistance to darunavir - analysis of heavily mutated patient-derived HIV-1 proteases.
Febs J., 281, 2014
3U7S
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BU of 3u7s by Molmil
HIV PR drug resistant patient's variant in complex with darunavir
Descriptor: (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, BETA-MERCAPTOETHANOL, Pol polyprotein
Authors:Saskova, K.G, Rezacova, P, Konvalinka, J, Brynda, J, Kozisek, M.
Deposit date:2011-10-14
Release date:2012-01-18
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Molecular characterization of clinical isolates of human immunodeficiency virus resistant to the protease inhibitor darunavir.
J.Virol., 83, 2009
1NH0
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1.03 A structure of HIV-1 protease: inhibitor binding inside and outside the active site
Descriptor: BETA-MERCAPTOETHANOL, PROTEASE RETROPEPSIN, SULFATE ION, ...
Authors:Brynda, J, Rezacova, P, Fabry, M, Horejsi, M, Hradilek, M, Soucek, M, Konvalinka, J, Sedlacek, J.
Deposit date:2002-12-18
Release date:2004-04-13
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.03 Å)
Cite:A Phenylnorstatine Inhibitor Binding to HIV-1 Protease: Geometry, Protonation, and Subsite-Pocket Interactions Analyzed at Atomic Resolution
J.Med.Chem., 47, 2004
1U8G
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Crystal structure of a HIV-1 Protease in complex with peptidomimetic inhibitor KI2-PHE-GLU-GLU-NH2
Descriptor: PROTEASE RETROPEPSIN, peptidomimetic inhibitor KI2-PHE-GLU-GLU-NH2
Authors:Brynda, J, Rezacova, P, Fabry, M, Horejsi, M, Hradilek, M, Soucek, R, Stouracova, R, Konvalinka, J, Sedlacek, J.
Deposit date:2004-08-06
Release date:2004-11-02
Last modified:2018-02-14
Method:X-RAY DIFFRACTION (2.201 Å)
Cite:Inhibitor binding at the protein interface in crystals of a HIV-1 protease complex.
Acta Crystallogr.,Sect.D, 60, 2004
1RL8
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BU of 1rl8 by Molmil
Crystal structure of the complex of resistant strain of hiv-1 protease(v82a mutant) with ritonavir
Descriptor: RITONAVIR, protease RETROPEPSIN
Authors:Rezacova, P, Brynda, J, Sedlacek, J, Konvalinka, J, Fabry, M, Horejsi, M.
Deposit date:2003-11-25
Release date:2005-04-19
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of the complex of resistant strain of hiv-1 protease(v82a mutant) with ritonavir
To be Published, 2005
1IIQ
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BU of 1iiq by Molmil
CRYSTAL STRUCTURE OF HIV-1 PROTEASE COMPLEXED WITH A HYDROXYETHYLAMINE PEPTIDOMIMETIC INHIBITOR
Descriptor: GLYCEROL, N-{(2R,3S)-3-[(tert-butoxycarbonyl)amino]-2-hydroxy-4-phenylbutyl}-L-phenylalanyl-L-glutaminyl-L-phenylalaninamide, PROTEASE RETROPEPSIN
Authors:Dohnalek, J, Hasek, J, Duskova, J, Petrokova, H, Hradilek, M, Soucek, M, Konvalinka, J, Brynda, J, Sedlacek, J, Fabry, M.
Deposit date:2001-04-24
Release date:2002-04-12
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Hydroxyethylamine isostere of an HIV-1 protease inhibitor prefers its amine to the hydroxy group in binding to catalytic aspartates. A synchrotron study of HIV-1 protease in complex with a peptidomimetic inhibitor.
J.Med.Chem., 45, 2002
1ZTZ
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BU of 1ztz by Molmil
Crystal structure of HIV protease- metallacarborane complex
Descriptor: COBALT BIS(1,2-DICARBOLLIDE), PROTEASE RETROPEPSIN, autoproteolytic tetrapeptide
Authors:Cigler, P, Kozisek, M, Rezacova, P, Brynda, J, Otwinowski, Z, Sedlacek, J, Bodem, J, Kraeusslich, H.-G, Kral, V, Konvalinka, J.
Deposit date:2005-05-28
Release date:2005-11-01
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:From nonpeptide toward noncarbon protease inhibitors: Metallacarboranes as specific and potent inhibitors of HIV protease
Proc.Natl.Acad.Sci.USA, 102, 2005
2Z54
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BU of 2z54 by Molmil
The Influence of I47A Mutation on Reduced Susceptibility to the Protease Inhibitor Lopinavir
Descriptor: BETA-MERCAPTOETHANOL, HIV-1 Protease, N-{1-BENZYL-4-[2-(2,6-DIMETHYL-PHENOXY)-ACETYLAMINO]-3-HYDROXY-5-PHENYL-PENTYL}-3-METHYL-2-(2-OXO-TETRAHYDRO-PYRIMIDIN-1-YL)-BUTYRAMIDE
Authors:Brynda, J, Klara, S, Kozisek, M, Lepsik, M, Machala, L, Konvalinka, J.
Deposit date:2007-06-28
Release date:2008-07-01
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:Enzymatic and structural analysis of the I47A mutation contributing to the reduced susceptibility to HIV protease inhibitor lopinavir.
Protein Sci., 17, 2008
2QAK
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BU of 2qak by Molmil
HIV-1 PR mutant in complex with nelfinavir
Descriptor: 2-[2-HYDROXY-3-(3-HYDROXY-2-METHYL-BENZOYLAMINO)-4-PHENYL SULFANYL-BUTYL]-DECAHYDRO-ISOQUINOLINE-3-CARBOXYLIC ACID TERT-BUTYLAMIDE, PROTEASE RETROPEPSIN
Authors:Rezacova, P, Kozisek, M, Saskova, K, Brynda, J, Konvalinka, J.
Deposit date:2007-06-16
Release date:2008-07-01
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Evolutionary pathway of HIV resistance analyzed on molecular level: Enzymatic activities, 3-D structures and thermodynamics of HIV proteases resistant to nelfinavir
To be Published
2RKF
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BU of 2rkf by Molmil
HIV-1 PR resistant mutant + LPV
Descriptor: GLYCEROL, N-{1-BENZYL-4-[2-(2,6-DIMETHYL-PHENOXY)-ACETYLAMINO]-3-HYDROXY-5-PHENYL-PENTYL}-3-METHYL-2-(2-OXO-TETRAHYDRO-PYRIMIDIN-1-YL)-BUTYRAMIDE, PROTEASE RETROPEPSIN, ...
Authors:Rezacova, P, Brynda, J, Kozisek, M, Saskova, K.G, Konvalinka, J.
Deposit date:2007-10-16
Release date:2008-08-05
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Ninety-nine is not enough: molecular characterization of inhibitor-resistant human immunodeficiency virus type 1 protease mutants with insertions in the flap region
J.Virol., 82, 2008
2RKG
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BU of 2rkg by Molmil
HIV-1 PR resistant mutant + LPV
Descriptor: GLYCEROL, N-{1-BENZYL-4-[2-(2,6-DIMETHYL-PHENOXY)-ACETYLAMINO]-3-HYDROXY-5-PHENYL-PENTYL}-3-METHYL-2-(2-OXO-TETRAHYDRO-PYRIMIDIN-1-YL)-BUTYRAMIDE, PROTEASE RETROPEPSIN
Authors:Rezacova, P, Brynda, J, Kozisek, M, Saskova, K, Konvalinka, J.
Deposit date:2007-10-16
Release date:2008-08-05
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Ninety-nine is not enough: molecular characterization of inhibitor-resistant human immunodeficiency virus type 1 protease mutants with insertions in the flap region
J.Virol., 82, 2008
6R5H
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BU of 6r5h by Molmil
Major aspartyl peptidase 1 from C. neoformans
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETIC ACID, ...
Authors:Krystufek, R, Sacha, P, Brynda, J, Konvalinka, J.
Deposit date:2019-03-25
Release date:2021-04-07
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Re-emerging Aspartic Protease Targets: Examining Cryptococcus neoformans Major Aspartyl Peptidase 1 as a Target for Antifungal Drug Discovery.
J.Med.Chem., 64, 2021
6R6A
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BU of 6r6a by Molmil
Major aspartyl peptidase 1 from C. neoformans
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, DI(HYDROXYETHYL)ETHER, Endopeptidase, ...
Authors:Krystufek, R, Sacha, P, Brynda, J, Konvalinka, J.
Deposit date:2019-03-26
Release date:2021-04-07
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Re-emerging Aspartic Protease Targets: Examining Cryptococcus neoformans Major Aspartyl Peptidase 1 as a Target for Antifungal Drug Discovery.
J.Med.Chem., 64, 2021
2PYN
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BU of 2pyn by Molmil
HIV-1 PR mutant in complex with nelfinavir
Descriptor: 2-[2-HYDROXY-3-(3-HYDROXY-2-METHYL-BENZOYLAMINO)-4-PHENYL SULFANYL-BUTYL]-DECAHYDRO-ISOQUINOLINE-3-CARBOXYLIC ACID TERT-BUTYLAMIDE, PROTEASE RETROPEPSIN
Authors:Rezacova, P, Kozisek, M, Saskova, K, Brynda, J, Konvalinka, J.
Deposit date:2007-05-16
Release date:2008-02-26
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Molecular analysis of the HIV-1 resistance development: enzymatic activities, crystal structures, and thermodynamics of nelfinavir-resistant HIV protease mutants
J.Mol.Biol., 374, 2007
6R61
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BU of 6r61 by Molmil
Major aspartyl peptidase 1 from C. neoformans in complex with Inhibitor LP258
Descriptor: (3~{S},7~{S},8~{S})-7-oxidanyl-8-(phenylmethyl)-3-(pyridin-2-ylmethyl)-1,4,9-triazacyclotricosane-2,5,10-trione, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ...
Authors:Krystufek, R, Sacha, P, Brynda, J, Konvalinka, J.
Deposit date:2019-03-26
Release date:2021-04-07
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Major aspartyl peptidase 1 from C. neoformans in complex with Inhibitor LP258
To Be Published
2C6C
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BU of 2c6c by Molmil
membrane-bound glutamate carboxypeptidase II (GCPII) in complex with GPI-18431 (S)-2-(4-iodobenzylphosphonomethyl)-pentanedioic acid
Descriptor: (2S)-2-{[HYDROXY(4-IODOBENZYL)PHOSPHORYL]METHYL}PENTANEDIOIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Mesters, J.R, Barinka, C, Li, W, Tsukamoto, T, Majer, P, Slusher, B.S, Konvalinka, J, Hilgenfeld, R.
Deposit date:2005-11-09
Release date:2006-02-15
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure of Glutamate Carboxypeptidase II, a Drug Target in Neuronal Damage and Prostate Cancer.
Embo J., 25, 2006
2C6G
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BU of 2c6g by Molmil
Membrane-bound glutamate carboxypeptidase II (GCPII) with bound glutamate
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Mesters, J.R, Barinka, C, Li, W, Tsukamoto, T, Majer, P, Slusher, B.S, Konvalinka, J, Hilgenfeld, R.
Deposit date:2005-11-09
Release date:2006-02-15
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure of glutamate carboxypeptidase II, a drug target in neuronal damage and prostate cancer.
EMBO J., 25, 2006

 

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