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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
2N3A
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BU of 2n3a by Molmil
Solution structure of LEDGF/p75 IBD in complex with POGZ peptide (1389-1404)
Descriptor: PC4 and SFRS1-interacting protein, Pogo transposable element with ZNF domain
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
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Multiple cellular proteins interact with LEDGF/p75 through a conserved unstructured consensus motif.
Nat Commun, 6, 2015
2HKH
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BU of 2hkh by Molmil
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
2HKF
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BU of 2hkf by Molmil
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
1NH0
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BU of 1nh0 by Molmil
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
1JP5
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BU of 1jp5 by Molmil
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
1U8G
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BU of 1u8g by Molmil
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
1N4X
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BU of 1n4x by Molmil
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
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
1SVZ
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BU of 1svz by Molmil
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
1FQX
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BU of 1fqx by Molmil
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
8C25
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BU of 8c25 by Molmil
purine nucleoside phosphorylase in complex with JS-375
Descriptor: CHLORIDE ION, GLYCEROL, Purine nucleoside phosphorylase, ...
Authors:Djukic, S, Pachl, P, Rezacova, P.
Deposit date:2022-12-21
Release date:2023-05-31
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:Design, Synthesis, Biological Evaluation, and Crystallographic Study of Novel Purine Nucleoside Phosphorylase Inhibitors.
J.Med.Chem., 66, 2023
8R3G
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BU of 8r3g by Molmil
Central glycolytic genes regulator (CggR) bound to DNA operator
Descriptor: Central glycolytic genes regulator, operator DNA
Authors:Skerlova, J, Soltysova, M, Rezacova, P, Skubnik, K.
Deposit date:2023-11-09
Release date:2024-06-19
Last modified:2024-07-17
Method:ELECTRON MICROSCOPY (4.4 Å)
Cite:Structural characterization of two prototypical repressors of SorC family reveals tetrameric assemblies on DNA and mechanism of function.
Nucleic Acids Res., 52, 2024
8R6T
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BU of 8r6t by Molmil
NMR solution structure of thyropin IrThy-Cd from the hard tick Ixodes ricinus
Descriptor: Putative two thyropin protein (Fragment)
Authors:Srb, P, Veverka, V, Matouskova, Z, Orsaghova, K, Mares, M.
Deposit date:2023-11-23
Release date:2024-02-28
Last modified:2024-03-06
Method:SOLUTION NMR
Cite:An Unusual Two-Domain Thyropin from Tick Saliva: NMR Solution Structure and Highly Selective Inhibition of Cysteine Cathepsins Modulated by Glycosaminoglycans.
Int J Mol Sci, 25, 2024
8R7Y
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BU of 8r7y by Molmil
Deoxyribonucleoside regulator DeoR in complex with the DNA operator
Descriptor: Deoxyribonucleoside regulator, OL18 DNA operator, strand 1, ...
Authors:Pachl, P, Soltysova, M, Rezacova, P.
Deposit date:2023-11-27
Release date:2024-06-19
Last modified:2024-07-17
Method:X-RAY DIFFRACTION (3.7 Å)
Cite:Structural characterization of two prototypical repressors of SorC family reveals tetrameric assemblies on DNA and mechanism of function.
Nucleic Acids Res., 52, 2024
2HRP
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BU of 2hrp by Molmil
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
6RVA
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BU of 6rva by Molmil
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:2023-06-14
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
7OYK
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BU of 7oyk by Molmil
DNA-binding domain of CggR in complex with the DNA operator
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, Central glycolytic genes regulator, ...
Authors:Novakova, M, Rezacova, P, Skerlova, J, Brynda, J.
Deposit date:2021-06-24
Release date:2021-11-10
Last modified:2021-11-24
Method:X-RAY DIFFRACTION (2.101 Å)
Cite:Structural insight into DNA recognition by bacterial transcriptional regulators of the SorC/DeoR family.
Acta Crystallogr D Struct Biol, 77, 2021
1MF2
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BU of 1mf2 by Molmil
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
6EMR
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BU of 6emr by Molmil
Solution structure of the LEDGF/p75 IBD - IWS1 (aa 446-548) complex
Descriptor: PC4 and SFRS1-interacting protein,Protein IWS1 homolog
Authors:Veverka, V.
Deposit date:2017-10-03
Release date:2018-07-25
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:Affinity switching of the LEDGF/p75 IBD interactome is governed by kinase-dependent phosphorylation.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
6EMP
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BU of 6emp by Molmil
Solution structure of the LEDGF/p75 IBD - POGZ (aa 1370-1404) complex
Descriptor: PC4 and SFRS1-interacting protein,Pogo transposable element with ZNF domain
Authors:Veverka, V.
Deposit date:2017-10-03
Release date:2018-07-25
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:Affinity switching of the LEDGF/p75 IBD interactome is governed by kinase-dependent phosphorylation.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
6EMO
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BU of 6emo by Molmil
Solution structure of the LEDGF/p75 IBD - JPO2 (aa 1-32) complex
Descriptor: PC4 and SFRS1-interacting protein,LEDGF/p75 IBD-JPO2 M1
Authors:Veverka, V.
Deposit date:2017-10-03
Release date:2018-07-25
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:Affinity switching of the LEDGF/p75 IBD interactome is governed by kinase-dependent phosphorylation.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
6EMQ
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BU of 6emq by Molmil
Solution structure of the LEDGF/p75 IBD - MLL1 (aa 111-160) complex
Descriptor: PC4 and SFRS1-interacting protein,Histone-lysine N-methyltransferase 2A
Authors:Veverka, V.
Deposit date:2017-10-03
Release date:2018-08-01
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:Affinity switching of the LEDGF/p75 IBD interactome is governed by kinase-dependent phosphorylation.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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
7BHY
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BU of 7bhy by Molmil
DNA-binding domain of DeoR in complex with the DNA operator
Descriptor: DNA operator - strand 1, DNA operator - strand 2, Deoxyribonucleoside regulator, ...
Authors:Novakova, M, Rezacova, P, Skerlova, J, Brynda, J.
Deposit date:2021-01-11
Release date:2021-11-10
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural insight into DNA recognition by bacterial transcriptional regulators of the SorC/DeoR family.
Acta Crystallogr D Struct Biol, 77, 2021

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