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1ZTZ
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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
1IIQ
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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
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
1HC0
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structure of lysozyme with periodate
Descriptor: CHLORIDE ION, IODIDE ION, LYSOZYME C
Authors:Ondracek, J, Jursik, F, Brynda, J, Rezacova, P, Sedlacek, J.
Deposit date:2001-04-25
Release date:2005-11-14
Last modified:2017-06-28
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Regular Arrangement of Periodates Bound to Lysozyme.
Acta Crystallogr.,Sect.D, 61, 2005
1SVZ
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Crystal structure of the single-chain Fv fragment 1696 in complex with the epitope peptide corresponding to N-terminus of HIV-2 protease
Descriptor: epitope peptide corresponding to N-terminus of HIV-2 protease, single-chain Fv fragment 1696
Authors:Rezacova, P, Brynda, J, Lescar, J, Bentley, G.A, Fabry, M, Horejsi, M, Sedlacek, J.
Deposit date:2004-03-30
Release date:2005-03-01
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Crystal structure of a cross-reaction complex between an anti-HIV-1 protease antibody and an HIV-2 protease peptide
J.Struct.Biol., 149, 2005
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
2HKH
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Crystal structure of the Fab M75
Descriptor: GLYCEROL, Immunoglobulin Heavy chain Fab fragment, Immunoglobulin Light chain Fab fragment
Authors:Kral, V, Mader, P, Stouracova, R, Fabry, M, Sedlacek, J, Brynda, J.
Deposit date:2006-07-04
Release date:2007-11-13
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Stabilization of antibody structure upon association to a human carbonic anhydrase IX epitope studied by X-ray crystallography, microcalorimetry, and molecular dynamics simulations.
Proteins, 71, 2008
1JP5
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Crystal structure of the single-chain Fv fragment 1696 in complex with the epitope peptide corresponding to N-terminus of HIV-1 protease
Descriptor: epitope peptide corresponding to N-terminus of HIV-1 protease, single-chain Fv fragment 1696
Authors:Rezacova, P, Lescar, J, Brynda, J, Fabry, M, Horejsi, M, Sedlacek, J, Bentley, G.A.
Deposit date:2001-08-01
Release date:2001-10-12
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural basis of HIV-1 and HIV-2 protease inhibition by a monoclonal antibody.
Structure, 9, 2001
1SP5
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Crystal structure of HIV-1 protease complexed with a product of autoproteolysis
Descriptor: 5-mer peptide from Protease, BETA-MERCAPTOETHANOL, CHLORIDE ION, ...
Authors:Vondrackova, E, Hasek, J, Jaskolski, M, Rezacova, P, Dohnalek, J, Skalova, T, Petrokova, H, Duskova, J, Brynda, J, Sedlacek, J.
Deposit date:2004-03-16
Release date:2005-07-19
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Product of enzymatic self-cleavage bound in the active site of HIV protease
To be Published
1N4X
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Structure of scFv 1696 at acidic pH
Descriptor: CHLORIDE ION, immunoglobulin heavy chain variable region, immunoglobulin kappa chain variable region
Authors:Lescar, J, Brynda, J, Fabry, M, Horejsi, M, Rezacova, P, Sedlacek, J, Bentley, G.A.
Deposit date:2002-11-02
Release date:2003-06-10
Last modified:2022-12-21
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structure of a single-chain Fv fragment of an antibody that inhibits the HIV-1 and HIV-2 proteases.
Acta Crystallogr.,Sect.D, 59, 2003
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
1RL8
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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
3CMS
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BU of 3cms by Molmil
ENGINEERING ENZYME SUB-SITE SPECIFICITY: PREPARATION, KINETIC CHARACTERIZATION AND X-RAY ANALYSIS AT 2.0-ANGSTROMS RESOLUTION OF VAL111PHE SITE-MUTATED CALF CHYMOSIN
Descriptor: CHYMOSIN B
Authors:Newman, M, Frazao, C, Shearer, A, Tickle, I.J, Blundell, T.L.
Deposit date:1990-02-26
Release date:1992-10-15
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:Engineering enzyme subsite specificity: preparation, kinetic characterization, and X-ray analysis at 2.0-A resolution of Val111Phe site-mutated calf chymosin.
Biochemistry, 29, 1990
1VIJ
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HIV-1 PROTEASE COMPLEXED WITH THE INHIBITOR HOE/BAY 793 HEXAGONAL FORM
Descriptor: HIV-1 PROTEASE, N-(1-BENZYL-2,3-DIHYDROXY-4-{3-METHYL-2-[2-(2-METHYL-PROPANE-2-SULFONYLMETHYL)-3-NAPHTHALEN-1-YL-PROPIONYLAMINO]-BUTYRYLAMINO}-5-PHENYL-PENTYL)-3-METHYL-2-[2-(2-METHYL-PROPANE-2-SULFONYLMETHYL)-3-NAPHTHALEN-1-YL-PROPIONYLAMINO]-BUTYRAMIDE
Authors:Lange-Savage, G, Berchtold, H, Liesum, A, Hilgenfeld, R.
Deposit date:1997-05-07
Release date:1999-01-13
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure of HOE/BAY 793 complexed to human immunodeficiency virus (HIV-1) protease in two different crystal forms--structure/function relationship and influence of crystal packing.
Eur.J.Biochem., 248, 1997
1VIK
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BU of 1vik by Molmil
HIV-1 PROTEASE COMPLEXED WITH THE INHIBITOR HOE/BAY 793 ORTHORHOMBIC FORM
Descriptor: HIV-1 PROTEASE, N-(1-BENZYL-2,3-DIHYDROXY-4-{3-METHYL-2-[2-(2-METHYL-PROPANE-2-SULFONYLMETHYL)-3-NAPHTHALEN-1-YL-PROPIONYLAMINO]-BUTYRYLAMINO}-5-PHENYL-PENTYL)-3-METHYL-2-[2-(2-METHYL-PROPANE-2-SULFONYLMETHYL)-3-NAPHTHALEN-1-YL-PROPIONYLAMINO]-BUTYRAMIDE
Authors:Lange-Savage, G, Berchtold, H, Liesum, A, Hilgenfeld, R.
Deposit date:1997-05-07
Release date:1998-12-09
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure of HOE/BAY 793 complexed to human immunodeficiency virus (HIV-1) protease in two different crystal forms--structure/function relationship and influence of crystal packing.
Eur.J.Biochem., 248, 1997
1ZSF
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Crystal Structure of Complex of a Hydroxyethylamine Inhibitor with HIV-1 Protease at 2.0A Resolution
Descriptor: N-{(2R,3S)-3-[(tert-butoxycarbonyl)amino]-2-hydroxy-4-phenylbutyl}-L-phenylalanyl-L-alpha-glutamyl-L-phenylalaninamide, PROTEASE RETROPEPSIN
Authors:Duskova, J, Skalova, T, Dohnalek, J, Petrokova, H, Hasek, J.
Deposit date:2005-05-24
Release date:2006-04-25
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:On the role of the R configuration of the reaction-intermediate isostere in HIV-1 protease-inhibitor binding: X-ray structure at 2.0 A resolution.
Acta Crystallogr.,Sect.D, 62, 2006
1ZSR
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Crystal structure of wild type HIV-1 protease (BRU isolate) with a hydroxyethylamine peptidomimetic inhibitor BOC-PHE-PSI[S-CH(OH)CH2NH]-PHE-GLU-PHE-NH2
Descriptor: N-{(2S,3S)-3-[(tert-butoxycarbonyl)amino]-2-hydroxy-4-phenylbutyl}-L-phenylalanyl-L-alpha-glutamyl-L-phenylalaninamide, PROTEASE RETROPEPSIN
Authors:Skalova, T, Dohnalek, J, Duskova, J, Petrokova, H, Hasek, J.
Deposit date:2005-05-24
Release date:2006-04-25
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:On the role of the R configuration of the reaction-intermediate isostere in HIV-1 protease-inhibitor binding: X-ray structure at 2.0 A resolution.
Acta Crystallogr.,Sect.D, 62, 2006
2HRP
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ANTIGEN-ANTIBODY COMPLEX
Descriptor: HIV-1 PROTEASE PEPTIDE, MONOCLONAL ANTIBODY F11.2.32
Authors:Lescar, J, Bentley, G.A.
Deposit date:1996-12-27
Release date:1997-12-31
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Three-dimensional structure of an Fab-peptide complex: structural basis of HIV-1 protease inhibition by a monoclonal antibody.
J.Mol.Biol., 267, 1997
1MF2
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ANTI HIV1 PROTEASE FAB COMPLEX
Descriptor: MONOCLONAL ANTIBODY F11.2.32
Authors:Lescar, J, Bentley, G.A.
Deposit date:1996-12-27
Release date:1997-12-31
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Three-dimensional structure of an Fab-peptide complex: structural basis of HIV-1 protease inhibition by a monoclonal antibody.
J.Mol.Biol., 267, 1997
1CL7
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ANTI HIV1 PROTEASE FAB
Descriptor: PROTEIN (IGG1 ANTIBODY 1696 (constant heavy chain)), PROTEIN (IGG1 ANTIBODY 1696 (light chain)), PROTEIN (IGG1 ANTIBODY 1696 (variable heavy chain))
Authors:Lescar, J, Bentley, G.A.
Deposit date:1999-05-06
Release date:2000-01-12
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (3 Å)
Cite:Inhibition of the HIV-1 and HIV-2 proteases by a monoclonal antibody.
Protein Sci., 8, 1999
1M0B
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HIV-1 protease in complex with an ethyleneamine inhibitor
Descriptor: GLYCEROL, N-{(3S)-3-[(tert-butoxycarbonyl)amino]-4-phenylbutyl}-L-phenylalanyl-L-alpha-glutamyl-L-phenylalaninamide, PROTEASE RETROPEPSIN
Authors:Petrokova, H, Hasek, J, Dohnalek, J.
Deposit date:2002-06-12
Release date:2004-01-13
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Role of hydroxyl group and R/S configuration of isostere in binding properties of HIV-1 protease inhibitors
Eur.J.Biochem., 271, 2004
2HKF
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Crystal structure of the Complex Fab M75- Peptide
Descriptor: Carbonic anhydrase 9, Immunoglobulin Heavy chain Fab fragment, Immunoglobulin Light chain Fab fragment
Authors:Kral, V, Mader, P, Stouracova, R, Fabry, M, Horejsi, M, Brynda, J.
Deposit date:2006-07-04
Release date:2007-11-13
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Stabilization of antibody structure upon association to a human carbonic anhydrase IX epitope studied by X-ray crystallography, microcalorimetry, and molecular dynamics simulations.
Proteins, 71, 2008
2G98
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human gamma-D-crystallin
Descriptor: Gamma crystallin D
Authors:Kmoch, S, Brynda, J, Awsav, B, Bezouska, K, Novak, P, Rezacova, P.
Deposit date:2006-03-06
Release date:2006-05-02
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Link between a novel human gamma-D-crystallin allele and a unique cataract phenotype explained by protein crystallography.
Hum.Mol.Genet., 12, 2000
4CMS
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BU of 4cms by Molmil
X-RAY ANALYSES OF ASPARTIC PROTEINASES IV. STRUCTURE AND REFINEMENT AT 2.2 ANGSTROMS RESOLUTION OF BOVINE CHYMOSIN
Descriptor: CHYMOSIN B
Authors:Newman, M, Frazao, C, Khan, G, Tickle, I.J, Blundell, T.L, Safro, M, Andreeva, N, Zdanov, A.
Deposit date:1991-11-01
Release date:1991-11-07
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:X-ray analyses of aspartic proteinases. IV. Structure and refinement at 2.2 A resolution of bovine chymosin.
J.Mol.Biol., 221, 1991
1MVP
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STRUCTURAL STUDIES OF THE RETROVIRAL PROTEINASE FROM AVIAN MYELOBLASTOSIS ASSOCIATED VIRUS
Descriptor: MYELOBLASTOSIS ASSOCIATED VIRAL PROTEASE
Authors:Ohlendorf, D.H, Foundling, S.I, Salemme, F.R.
Deposit date:1990-09-07
Release date:1992-01-15
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural studies of the retroviral proteinase from avian myeloblastosis associated virus.
Proteins, 14, 1992

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