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5HYB
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BU of 5hyb by Molmil
Crystal structure of myristoylated Y81A mutant MMTV matrix protein
Descriptor: DI(HYDROXYETHYL)ETHER, MYRISTIC ACID, Matrix Protein
Authors:Brynda, J, Dostal, J, Zabransky, A, Dolezal, M.
Deposit date:2016-02-01
Release date:2017-06-28
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Crystal structure of myristoylated Y81A mutant MMTV matrix protein
To Be Published
5I27
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BU of 5i27 by Molmil
Crystal structure of non-myristoylated MMTV matrix protein
Descriptor: Matrix protein
Authors:Brynda, J, Dostal, J, Zabransky, A, Dolezal, M.
Deposit date:2016-02-08
Release date:2017-06-28
Last modified:2019-02-20
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Crystal structure non-myristoylated MMTV matrix protein
To Be Published
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
5DVH
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BU of 5dvh by Molmil
Structure of the Kunitz-type cysteine protease inhibitor PCPI-3 from potato
Descriptor: CHLORIDE ION, PCPI-3
Authors:Brynda, J, Mishra, M, Mares, M.
Deposit date:2015-09-21
Release date:2016-10-12
Last modified:2017-09-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure of the Kunitz-type cysteine protease inhibitor PCPI-3 from potato
To Be Published
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
3T11
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BU of 3t11 by Molmil
Dimeric inhibitor of HIV-1 protease.
Descriptor: (3S,11S)-11-(3-chloro-4-hydroxy-5-methoxyphenyl)-3-phenyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one, BETA-MERCAPTOETHANOL, CHLORIDE ION, ...
Authors:Brynda, J, Rezacova, P, Saskova, G.K, Kozisek, M, Konvalinka, J.
Deposit date:2011-07-21
Release date:2012-08-22
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.22 Å)
Cite:Dimeric inhibitor of HIV-1 protease.
To be Published
4MDL
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BU of 4mdl by Molmil
Meta Carborane Carbonic Anhydrase Inhibitor
Descriptor: 1-(sulfamoylamino)methyl-1,7-dicarba-closo-dodecaborane, Carbonic anhydrase 2, MERCURIBENZOIC ACID, ...
Authors:Brynda, J, Mader, P, Rezacova, P, Cigler, P.
Deposit date:2013-08-23
Release date:2014-01-01
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.516 Å)
Cite:Carborane-based carbonic anhydrase inhibitors.
Angew.Chem.Int.Ed.Engl., 52, 2013
4MDG
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BU of 4mdg by Molmil
Closo Carborane Carbonic Anhydrase Inhibitor
Descriptor: 1-(sulfamoylamino)methyl-1,2-dicarba-closo-dodecaborane, Carbonic anhydrase 2, ZINC ION
Authors:Brynda, J, Mader, P, Rezacova, P.
Deposit date:2013-08-22
Release date:2014-01-01
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Carborane-based carbonic anhydrase inhibitors.
Angew.Chem.Int.Ed.Engl., 52, 2013
4MDM
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BU of 4mdm by Molmil
Nido-Carborane Carbonic Anhydrase Inhibitor
Descriptor: 7-(sulfamoylamino)methyl-7,8-dicarba-nido-undecaborane, Carbonic anhydrase 2, ZINC ION
Authors:Brynda, J, Mader, P, Rezacova, P, Cigler, P, Gruner, B.
Deposit date:2013-08-23
Release date:2014-01-01
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Carborane-based carbonic anhydrase inhibitors.
Angew.Chem.Int.Ed.Engl., 52, 2013
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
3CCK
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BU of 3cck by Molmil
Human CD69
Descriptor: CHLORIDE ION, Early activation antigen CD69
Authors:Brynda, J, Vanek, O, Rezacova, P.
Deposit date:2008-02-26
Release date:2008-11-25
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Soluble recombinant CD69 receptors optimized to have an exceptional physical and chemical stability display prolonged circulation and remain intact in the blood of mice
Febs J., 275, 2008
4RCG
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BU of 4rcg by Molmil
Crystal Structure Analysis of MTB PEPCK without Mn+2
Descriptor: DI(HYDROXYETHYL)ETHER, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
Authors:Brynda, J, Dostal, J, Snasel, J, Fanfrlik, J, Pichova, I, Machova, I.
Deposit date:2014-09-16
Release date:2015-04-08
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural and Functional Studies of Phosphoenolpyruvate Carboxykinase from Mycobacterium tuberculosis.
Plos One, 10, 2015
4R43
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BU of 4r43 by Molmil
Crystal Structure Analysis of MTB PEPCK
Descriptor: DI(HYDROXYETHYL)ETHER, GUANOSINE-5'-DIPHOSPHATE, MANGANESE (II) ION, ...
Authors:Brynda, J, Dostal, J, Pichova, I, Snasel, J, Fanfrlik, J, Machova, I.
Deposit date:2014-08-19
Release date:2015-04-08
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural and Functional Studies of Phosphoenolpyruvate Carboxykinase from Mycobacterium tuberculosis.
Plos One, 10, 2015
4RGH
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BU of 4rgh by Molmil
Human DNA Damage-Inducible Protein: From Protein Chemistry and 3D Structure to Deciphering its Cellular Role
Descriptor: CHLORIDE ION, Protein DDI1 homolog 2
Authors:Brynda, J, Grantz Saskova, K.
Deposit date:2014-09-30
Release date:2016-02-17
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Human DNA Damage-Inducible Protein: From Protein Chemistry and 3D Structure to Deciphering its Cellular Role
To be Published
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
5N71
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BU of 5n71 by Molmil
CRYSTAL STRUCTURE OF MATURE CATHEPSIN D FROM THE TICK IXODES RICINUS (IRCD1)
Descriptor: DI(HYDROXYETHYL)ETHER, Putative cathepsin d, SULFATE ION
Authors:Brynda, J, Hanova, I, Hobizalova, R, Mares, M.
Deposit date:2017-02-17
Release date:2017-12-27
Last modified:2018-03-28
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Novel Structural Mechanism of Allosteric Regulation of Aspartic Peptidases via an Evolutionarily Conserved Exosite.
Cell Chem Biol, 25, 2018
5N7Q
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BU of 5n7q by Molmil
CRYSTAL STRUCTURE OF MATURE CATHEPSIN D FROM THE TICK IXODES RICINUS (IRCD1) IN COMPLEX WITH THE INHIBITOR PEPSTATIN A
Descriptor: DI(HYDROXYETHYL)ETHER, GLYCEROL, PEPSTATIN A, ...
Authors:Brynda, J, Hanova, I, Hobizalova, R, Mares, M.
Deposit date:2017-02-21
Release date:2017-12-27
Last modified:2018-06-13
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Novel Structural Mechanism of Allosteric Regulation of Aspartic Peptidases via an Evolutionarily Conserved Exosite.
Cell Chem Biol, 25, 2018
5N70
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BU of 5n70 by Molmil
CRYSTAL STRUCTURE OF MATURE CATHEPSIN D FROM THE TICK IXODES RICINUS (IRCD1) IN COMPLEX WITH THE N-TERMINAL OCTAPEPTIDE OF THE PROPEPTID
Descriptor: ALA-PHE-ARG-ILE-PRO-LEU-THR-ARG, Putative cathepsin d
Authors:Brynda, J, Hanova, I, Hobizalova, R, Mares, M.
Deposit date:2017-02-17
Release date:2017-12-27
Last modified:2018-03-28
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Novel Structural Mechanism of Allosteric Regulation of Aspartic Peptidases via an Evolutionarily Conserved Exosite.
Cell Chem Biol, 25, 2018
5N7N
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BU of 5n7n by Molmil
CRYSTAL STRUCTURE OF CATHEPSIN D ZYMOGEN FROM THE TICK IXODES RICINUS (IRCD1)
Descriptor: AMMONIUM ION, Putative cathepsin d, SULFATE ION
Authors:Brynda, J, Hanova, I, Hobizalova, R, Mares, M.
Deposit date:2017-02-21
Release date:2017-12-27
Last modified:2018-03-28
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Novel Structural Mechanism of Allosteric Regulation of Aspartic Peptidases via an Evolutionarily Conserved Exosite.
Cell Chem Biol, 25, 2018
8AAE
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BU of 8aae by Molmil
CAII in complex with para-carboran-propylsulfonamid
Descriptor: Carbonic anhydrase 2, Para-Carborane propyl-sulfonamide, ZINC ION
Authors:Brynda, J, Rezacova, P.
Deposit date:2022-07-01
Release date:2023-05-10
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:B-H⋯ pi and C-H⋯ pi interactions in protein-ligand complexes: carbonic anhydrase II inhibition by carborane sulfonamides.
Phys Chem Chem Phys, 25, 2023
8AA6
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BU of 8aa6 by Molmil
CAII in complex with meta-carboran-propylsulfonamid
Descriptor: Carbonic anhydrase 2, ZINC ION, meta-carboran-propylsulfonamid
Authors:Brynda, J, Rezacova, P, Kugler, M.
Deposit date:2022-06-30
Release date:2023-05-10
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:B-H⋯ pi and C-H⋯ pi interactions in protein-ligand complexes: carbonic anhydrase II inhibition by carborane sulfonamides.
Phys Chem Chem Phys, 25, 2023
6GWU
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BU of 6gwu by Molmil
Carbonic anhydrase CaNce103p from Candida albicans
Descriptor: BETA-MERCAPTOETHANOL, Carbonic anhydrase, DI(HYDROXYETHYL)ETHER, ...
Authors:Brynda, J, Dostal, J, Heidingsfeld, O, Machacek, S, Blaha, J, Pichova, I.
Deposit date:2018-06-26
Release date:2018-11-07
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of carbonic anhydrase CaNce103p from the pathogenic yeast Candida albicans.
BMC Struct. Biol., 18, 2018
6GXB
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BU of 6gxb by Molmil
Carbonic Anhydrase CAIX mimic in complex with inhibitor JS13
Descriptor: Carbonic anhydrase 2, ZINC ION, ~{N}-[4-[4-[(4-sulfamoylphenyl)carbamoylamino]phenoxy]butyl]ethanamide
Authors:Brynda, J, Rezacova, P, Pospisilova, K.
Deposit date:2018-06-27
Release date:2019-05-08
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Inhibitor-Polymer Conjugates as a Versatile Tool for Detection and Visualization of Cancer-Associated Carbonic Anhydrase Isoforms
Acs Omega, 4, 2019
6GXE
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BU of 6gxe by Molmil
Carbonic Anhydrase CAIX mimic in complex with inhibitor JS14
Descriptor: 3-[2-[2-[2-[2-(aminomethyloxy)ethoxy]ethoxy]ethoxy]ethoxy]-~{N}-[4-[4-[(4-sulfamoylphenyl)carbamoylamino]phenoxy]butyl]propanamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ...
Authors:Brynda, J, Rezacova, P, Pospisilova, K.
Deposit date:2018-06-27
Release date:2019-05-08
Last modified:2019-12-25
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Inhibitor-Polymer Conjugates as a Versatile Tool for Detection and Visualization of Cancer-Associated Carbonic Anhydrase Isoforms
Acs Omega, 2019

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PDB entries from 2024-03-27

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