Author results

1IIQ
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CRYSTAL STRUCTURE OF HIV-1 PROTEASE COMPLEXED WITH A HYDROXYETHYLAMINE PEPTIDOMIMETIC INHIBITOR
Descriptor:PROTEASE RETROPEPSIN, N-{(2R,3S)-3-[(tert-butoxycarbonyl)amino]-2-hydroxy-4-phenylbutyl}-L-phenylalanyl-L-glutaminyl-L-phenylalaninamide, GLYCEROL
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:2017-10-04
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:PROTEASE RETROPEPSIN, N-{(2S,3S)-3-[(tert-butoxycarbonyl)amino]-2-hydroxy-4-phenylbutyl}-L-phenylalanyl-L-alpha-glutamyl-L-phenylalaninamide
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:2012-12-12
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
1NH0
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1.03 A STRUCTURE OF HIV-1 PROTEASE: INHIBITOR BINDING INSIDE AND OUTSIDE THE ACTIVE SITE
Descriptor:PROTEASE RETROPEPSIN, peptidomimetic inhibitor KI2-PHE-GLU-GLU-NH2, 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:2012-12-12
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
2HKF
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CRYSTAL STRUCTURE OF THE COMPLEX FAB M75- PEPTIDE
Descriptor:Immunoglobulin Light chain Fab fragment, Immunoglobulin Heavy chain Fab fragment, Carbonic anhydrase 9
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
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:single-chain Fv fragment 1696, epitope peptide corresponding to N-terminus of HIV-1 protease
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:2011-07-13
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
1N4X
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STRUCTURE OF SCFV 1696 AT ACIDIC PH
Descriptor:immunoglobulin kappa chain variable region, immunoglobulin heavy chain variable region, CHLORIDE ION
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:2017-10-11
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
1RL8
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CRYSTAL STRUCTURE OF THE COMPLEX OF RESISTANT STRAIN OF HIV-1 PROTEASE(V82A MUTANT) WITH RITONAVIR
Descriptor:protease RETROPEPSIN, RITONAVIR
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:2013-02-27
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
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:single-chain Fv fragment 1696, epitope peptide corresponding to N-terminus of HIV-2 protease
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:2011-07-13
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
2HKH
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CRYSTAL STRUCTURE OF THE FAB M75
Descriptor:Immunoglobulin Light chain Fab fragment, Immunoglobulin Heavy chain Fab fragment, GLYCEROL
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:2017-10-18
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
2N3A
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SOLUTION STRUCTURE OF LEDGF/P75 IBD IN COMPLEX WITH POGZ PEPTIDE (1389-1404)
Descriptor:Pogo transposable element with ZNF domain, PC4 and SFRS1-interacting protein
Authors:Tesina, P., Cermakova, K., Horejsi, M., Prochazkova, K., Fabry, M., Sharma, S., Christ, F., Demeulemeester, J., Debyser, Z., De Rijck, J., Veverka, V., Rezacova, P.
Deposit date:2015-05-26
Release date:2015-08-19
Method:SOLUTION NMR
Cite:Multiple cellular proteins interact with LEDGF/p75 through a conserved unstructured consensus motif.
Nat Commun, 6, 2015
4OQP
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STRUCTURE OF THE EFFECTOR-BINDING DOMAIN OF DEOXYRIBONUCLEOSIDE REGULATOR DEOR FROM BACILLUS SUBTILIS IN COMPLEX WITH DEOXYRIBOSE-5-PHOSPHATE
Descriptor:Deoxyribonucleoside regulator, PENTANE-3,4-DIOL-5-PHOSPHATE, CADMIUM ION, ...
Authors:Rezacova, P., Skerlova, J.
Deposit date:2014-02-10
Release date:2014-06-04
Last modified:2019-11-20
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structure of the effector-binding domain of deoxyribonucleoside regulator DeoR from Bacillus subtilis.
Febs J., 281, 2014
4OQQ
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STRUCTURE OF THE EFFECTOR-BINDING DOMAIN OF DEOXYRIBONUCLEOSIDE REGULATOR DEOR FROM BACILLUS SUBTILIS
Descriptor:Deoxyribonucleoside regulator, BICINE
Authors:Rezacova, P., Skerlova, J.
Deposit date:2014-02-10
Release date:2014-06-04
Last modified:2014-10-01
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure of the effector-binding domain of deoxyribonucleoside regulator DeoR from Bacillus subtilis.
Febs J., 281, 2014
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:2011-07-13
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
2HRP
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ANTIGEN-ANTIBODY COMPLEX
Descriptor:MONOCLONAL ANTIBODY F11.2.32, HIV-1 PROTEASE PEPTIDE
Authors:Lescar, J., Bentley, G.A.
Deposit date:1996-12-27
Release date:1997-12-31
Last modified:2011-07-13
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
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:2011-07-13
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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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:2011-07-13
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
3CMS
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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
5OGN
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METALACARBORANE INHIBITORS OF CARBONIC ANHYDRASE IX
Descriptor:Carbonic anhydrase 2, ZINC ION, cobaltcarborane
Authors:Brynda, J., Rezacova, P., Pospisilova, K., Kugler, M., Gruner, B., Sicha, V.
Deposit date:2017-07-13
Release date:2018-08-01
Last modified:2019-11-13
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Metallacarborane Sulfamides: Unconventional, Specific, and Highly Selective Inhibitors of Carbonic Anhydrase IX.
J.Med.Chem., 2019
5OGP
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METALACARBORANE INHIBITORS OF CARBONIC ANHYDRASE IX
Descriptor:Carbonic anhydrase 2, ZINC ION, cobaltcarborane
Authors:Brynda, J., Rezacova, P., Pospisilova, K., Kugler, M., Gruner, B., Sicha, V.
Deposit date:2017-07-13
Release date:2018-08-01
Last modified:2019-11-13
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Metallacarborane Sulfamides: Unconventional, Specific, and Highly Selective Inhibitors of Carbonic Anhydrase IX.
J.Med.Chem., 2019
5OPL
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CRYSTAL STRUCTURE OF K25E CN-II MUTANT
Descriptor:Cytosolic purine 5'-nucleotidase, GLYCEROL, MAGNESIUM ION
Authors:Kugler, M., Hnizda, A., Pachl, P., Rezacova, P.
Deposit date:2017-08-10
Release date:2018-06-13
Last modified:2018-06-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Relapsed acute lymphoblastic leukemia-specific mutations in NT5C2 cluster into hotspots driving intersubunit stimulation.
Leukemia, 32, 2018
6RVA
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STRUCTURE OF [ASP58]-IGF-I ANALOGUE
Descriptor:Insulin-like growth factor I
Authors:Jiracek, J., Zakova, L., Socha, O.
Deposit date:2019-05-31
Release date:2019-10-02
Last modified:2019-11-27
Method:SOLUTION NMR
Cite:Mutations at hypothetical binding site 2 in insulin and insulin-like growth factors 1 and 2 result in receptor- and hormone-specific responses.
J.Biol.Chem., 294, 2019
1ZSF
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CRYSTAL STRUCTURE OF COMPLEX OF A HYDROXYETHYLAMINE INHIBITOR WITH HIV-1 PROTEASE AT 2.0A RESOLUTION
Descriptor:PROTEASE RETROPEPSIN, N-{(2R,3S)-3-[(tert-butoxycarbonyl)amino]-2-hydroxy-4-phenylbutyl}-L-phenylalanyl-L-alpha-glutamyl-L-phenylalaninamide
Authors:Duskova, J., Skalova, T., Dohnalek, J., Petrokova, H., Hasek, J.
Deposit date:2005-05-24
Release date:2006-04-25
Last modified:2012-12-12
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:PROTEASE RETROPEPSIN, N-{(2S,3S)-3-[(tert-butoxycarbonyl)amino]-2-hydroxy-4-phenylbutyl}-L-phenylalanyl-L-alpha-glutamyl-L-phenylalaninamide
Authors:Skalova, T., Dohnalek, J., Duskova, J., Petrokova, H., Hasek, J.
Deposit date:2005-05-24
Release date:2006-04-25
Last modified:2012-12-12
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
4L6C
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CRYSTAL STRUCTURE OF HUMAN MITOCHONDRIAL DEOXYRIBONUCLEOTIDASE IN COMPLEX WITH THE INHIBITOR PIB-T
Descriptor:5'(3')-deoxyribonucleotidase, mitochondrial, MAGNESIUM ION, ...
Authors:Pachl, P., Brynda, J., Rezacova, P.
Deposit date:2013-06-12
Release date:2014-09-10
Last modified:2014-10-08
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Conformationally constrained nucleoside phosphonic acids - potent inhibitors of human mitochondrial and cytosolic 5'(3')-nucleotidases.
Org.Biomol.Chem., 12, 2014
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