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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
Method:SOLUTION NMR
Cite:Multiple cellular proteins interact with LEDGF/p75 through a conserved unstructured consensus motif.
Nat Commun, 6, 2015
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
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
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
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
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
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
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
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
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
7MX9
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BU of 7mx9 by Molmil
Crystal structure of the SARS-CoV-2 ORF8 accessory protein
Descriptor: ORF8 protein
Authors:Bailey-Elkin, B.A, Stetefeld, J.
Deposit date:2021-05-18
Release date:2023-01-25
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:The unique ORF8 protein of SARS-CoV-2 binds to human dendritic cells and induces a cytokine storm
To Be Published
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
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
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
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
4YIH
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BU of 4yih by Molmil
Crystal structure of human cytosolic 5'(3')-deoxyribonucleotidase in complex with the inhibitor PB-PVU
Descriptor: 1-{2-deoxy-3,5-O-[phenyl(phosphono)methylidene]-beta-D-threo-pentofuranosyl}-5-[(E)-2-phosphonoethenyl]pyrimidine-2,4(1H,3H)-dione, 5'(3')-deoxyribonucleotidase, cytosolic type, ...
Authors:Pachl, P, Rezacova, P, Brynda, J.
Deposit date:2015-03-02
Release date:2015-09-09
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Structure-based design of a bisphosphonate 5'(3')-deoxyribonucleotidase inhibitor
Medchemcomm, 6, 2015
4YIK
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BU of 4yik by Molmil
Crystal structure of human cytosolic 5'(3')-deoxyribonucleotidase in complex with the inhibitor PB-PVU
Descriptor: 1-{2-deoxy-3,5-O-[phenyl(phosphono)methylidene]-beta-D-threo-pentofuranosyl}-5-[(E)-2-phosphonoethenyl]pyrimidine-2,4(1H,3H)-dione, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5'(3')-deoxyribonucleotidase, ...
Authors:Pachl, P, Rezacova, P, Brynda, J.
Deposit date:2015-03-02
Release date:2015-09-09
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.483 Å)
Cite:Structure-based design of a bisphosphonate 5'(3')-deoxyribonucleotidase inhibitor
Medchemcomm, 6, 2015
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
6T7U
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BU of 6t7u by Molmil
Carborane inhibitor of Carbonic Anhydrase IX
Descriptor: Carbonic anhydrase 2, Carborane inhibitor, ZINC ION
Authors:Brynda, J, Rezacova, P, Kugler, M, Gruner, B.
Deposit date:2019-10-23
Release date:2020-06-17
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Sulfonamido carboranes as highly selective inhibitors of cancer-specific carbonic anhydrase IX.
Eur.J.Med.Chem., 200, 2020
6T9Z
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BU of 6t9z by Molmil
Nidocarborane inhibitor of Carbonic Anhydrase IX
Descriptor: Carbonic anhydrase 2, DIMETHYL SULFOXIDE, Nidocarborane, ...
Authors:Brynda, J, Rezacova, P, Kugler, M, Gruner, B.
Deposit date:2019-10-29
Release date:2020-06-17
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.12 Å)
Cite:Sulfonamido carboranes as highly selective inhibitors of cancer-specific carbonic anhydrase IX.
Eur.J.Med.Chem., 200, 2020
5YI9
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BU of 5yi9 by Molmil
Solution structure of the LEDGF/p75 IBD - JPO2 (aa 56-91) complex
Descriptor: PC4 and SFRS1-interacting protein,Cell division cycle-associated 7-like protein
Authors:Veverka, V.
Deposit date:2017-10-03
Release date:2018-08-15
Last modified:2023-06-14
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
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
6TRJ
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BU of 6trj by Molmil
LEDGF/p75 IBD dimer
Descriptor: PC4 and SFRS1-interacting protein
Authors:Kugler, M, Brynda, J.
Deposit date:2019-12-19
Release date:2020-09-09
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Fine-tuning of the LEDGF/p75 interaction network by dimerization
Structure
6TVM
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BU of 6tvm by Molmil
LEDGF/p75 dimer (residues 345-467)
Descriptor: PC4 and SFRS1-interacting protein
Authors:Lux, V, Veverka, V.
Deposit date:2020-01-10
Release date:2020-09-09
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Molecular Mechanism of LEDGF/p75 Dimerization.
Structure, 28, 2020

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PDB entries from 2024-03-27

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