6YLM
 
 | | mCherry | | Descriptor: | CHLORIDE ION, mCherry | | Authors: | Myskova, J, Rybakova, M, Brynda, J, Lazar, J. | | Deposit date: | 2020-04-07 | | Release date: | 2020-12-16 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Directionality of light absorption and emission in representative fluorescent proteins.
Proc.Natl.Acad.Sci.USA, 117, 2020
|
|
6YLP
 | | EGFP_in_Acidic_env Directionality of Optical Properties of Fluorescent Proteins | | Descriptor: | PHOSPHATE ION, eGFP_in_Acidic_env | | Authors: | Myskova, J, Rybakova, O, Brynda, J, Lazar, J. | | Deposit date: | 2020-04-07 | | Release date: | 2020-12-16 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Directionality of light absorption and emission in representative fluorescent proteins.
Proc.Natl.Acad.Sci.USA, 117, 2020
|
|
6YLQ
 | | EGFP in neutral pH, Directionality of Optical Properties of Fluorescent Proteins | | Descriptor: | GLYCEROL, MAGNESIUM ION, eGFP | | Authors: | Myskova, J, Rybakova, M, Brynda, J, Lazar, J. | | Deposit date: | 2020-04-07 | | Release date: | 2020-12-16 | | Last modified: | 2021-01-27 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Directionality of light absorption and emission in representative fluorescent proteins.
Proc.Natl.Acad.Sci.USA, 117, 2020
|
|
6YLS
 | | mEos4b - Directionality of Optical Properties of Fluorescent Proteins | | Descriptor: | CHLORIDE ION, Green to red photoconvertible GFP-like protein EosFP, SODIUM ION | | Authors: | Myskova, J, Rybakova, O, Brynda, J, Lazar, J. | | Deposit date: | 2020-04-07 | | Release date: | 2020-12-16 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Directionality of light absorption and emission in representative fluorescent proteins.
Proc.Natl.Acad.Sci.USA, 117, 2020
|
|
4M8X
 | | GS-8374, a Novel Phosphonate-Containing Inhibitor of HIV-1 Protease, Effectively Inhibits HIV PR Mutants with Amino Acid Insertions | | Descriptor: | DIETHYL ({4-[(2S,3R)-2-({[(3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YLOXY]CARBONYL}AMINO)-3-HYDROXY-4-{ISOBUTYL[(4-METHOXYPHENYL)SULFONYL]AMINO}BUTYL]PHENOXY}METHYL)PHOSPHONATE, Protease | | Authors: | Grantz saskova, K, Brynda, J, Rezacova, P, Kozisek, M, Konvalinka, J. | | Deposit date: | 2013-08-14 | | Release date: | 2014-05-07 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | GS-8374, a prototype phosphonate-containing inhibitor of HIV-1 protease, effectively inhibits protease mutants with amino acid insertions.
J.Virol., 88, 2014
|
|
4M8Y
 | | GS-8374, a Novel Phosphonate-Containing Inhibitor of HIV-1 Protease, Effectively Inhibits HIV PR Mutants with Amino Acid Insertions | | Descriptor: | DIETHYL ({4-[(2S,3R)-2-({[(3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YLOXY]CARBONYL}AMINO)-3-HYDROXY-4-{ISOBUTYL[(4-METHOXYPHENYL)SULFONYL]AMINO}BUTYL]PHENOXY}METHYL)PHOSPHONATE, Protease | | Authors: | Grantz saskova, K, Brynda, J, Rezacova, P, Kozisek, M, Konvalinka, J. | | Deposit date: | 2013-08-14 | | Release date: | 2014-05-07 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.22 Å) | | Cite: | GS-8374, a prototype phosphonate-containing inhibitor of HIV-1 protease, effectively inhibits protease mutants with amino acid insertions.
J.Virol., 88, 2014
|
|
6YOL
 | | Meta-Nidocarborane propyl-sulfonamide in complex with CA IX mimic | | Descriptor: | Carbonic anhydrase 2, Meta-Nidocarborane propyl-sulfonamide, ZINC ION | | Authors: | Kugler, M, Brynda, J, Pospisilova, K, Rezacova, P. | | Deposit date: | 2020-04-14 | | Release date: | 2020-08-19 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.15 Å) | | Cite: | Direct Introduction of an Alkylsulfonamido Group on C-sites of Isomeric Dicarba-closo-dodecaboranes: The Influence of Stereochemistry on Inhibitory Activity against the Cancer-Associated Carbonic Anhydrase IX Isoenzyme.
Chemistry, 26, 2020
|
|
6YKH
 | | Metala-Carborane di-ethyl-sulfonamide (cis isomer) in complex with CA IX mimic | | Descriptor: | Carbonic anhydrase 2, Metala-Carborane di-ethyl-sulfonamide, ZINC ION | | Authors: | Kugler, M, Brynda, J, Pospisilova, K, Rezacova, P. | | Deposit date: | 2020-04-06 | | Release date: | 2020-09-09 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | Cobalt Bis(dicarbollide) Alkylsulfonamides: Potent and Highly Selective Inhibitors of Tumor Specific Carbonic Anhydrase IX.
Chempluschem, 86, 2021
|
|
6YOI
 | | Meta-Carborane di-propyl-sulfonamide in complex with CA IX mimic | | Descriptor: | Carbonic anhydrase 2, Meta-Carborane di-propyl-sulfonamide, ZINC ION | | Authors: | Kugler, M, Brynda, J, Pospisilova, K, Rezacova, P. | | Deposit date: | 2020-04-14 | | Release date: | 2020-08-19 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Direct Introduction of an Alkylsulfonamido Group on C-sites of Isomeric Dicarba-closo-dodecaboranes: The Influence of Stereochemistry on Inhibitory Activity against the Cancer-Associated Carbonic Anhydrase IX Isoenzyme.
Chemistry, 26, 2020
|
|
6YO7
 | | Ortho-Carborane di-propyl-sulfonamide in complex with CA IX mimic | | Descriptor: | Carbonic anhydrase 2, Ortho-Carborane di-propyl-sulfonamide, ZINC ION | | Authors: | Kugler, M, Brynda, J, Pospisilova, K, Rezacova, P. | | Deposit date: | 2020-04-14 | | Release date: | 2020-08-19 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.17 Å) | | Cite: | Direct Introduction of an Alkylsulfonamido Group on C-sites of Isomeric Dicarba-closo-dodecaboranes: The Influence of Stereochemistry on Inhibitory Activity against the Cancer-Associated Carbonic Anhydrase IX Isoenzyme.
Chemistry, 26, 2020
|
|
6YO2
 | | Meta-Carborane propyl-sulfonamide in complex with CA IX mimic | | Descriptor: | Carbonic anhydrase 2, Meta-Carborane propyl-sulfonamide, ZINC ION | | Authors: | Kugler, M, Brynda, J, Pospisilova, K, Rezacova, P. | | Deposit date: | 2020-04-14 | | Release date: | 2020-08-19 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Direct Introduction of an Alkylsulfonamido Group on C-sites of Isomeric Dicarba-closo-dodecaboranes: The Influence of Stereochemistry on Inhibitory Activity against the Cancer-Associated Carbonic Anhydrase IX Isoenzyme.
Chemistry, 26, 2020
|
|
6YO4
 | | Para-Carborane propyl-sulfonamide in complex with CA IX mimic | | Descriptor: | Carbonic anhydrase 2, Para-Carborane propyl-sulfonamide, ZINC ION | | Authors: | Kugler, M, Brynda, J, Pospisilova, K, Rezacova, P. | | Deposit date: | 2020-04-14 | | Release date: | 2020-08-19 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Direct Introduction of an Alkylsulfonamido Group on C-sites of Isomeric Dicarba-closo-dodecaboranes: The Influence of Stereochemistry on Inhibitory Activity against the Cancer-Associated Carbonic Anhydrase IX Isoenzyme.
Chemistry, 26, 2020
|
|
6YOK
 | | Para-Carborane di-propyl-sulfonamide in complex with CA IX mimic | | Descriptor: | Carbonic anhydrase 2, Para-Carborane di-propyl-sulfonamide, ZINC ION | | Authors: | Kugler, M, Brynda, J, Pospisilova, K, Rezacova, P. | | Deposit date: | 2020-04-14 | | Release date: | 2020-08-19 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | Direct Introduction of an Alkylsulfonamido Group on C-sites of Isomeric Dicarba-closo-dodecaboranes: The Influence of Stereochemistry on Inhibitory Activity against the Cancer-Associated Carbonic Anhydrase IX Isoenzyme.
Chemistry, 26, 2020
|
|
6YKC
 | | Metala-Carborane di-ethyl-sulfonamide (trans isomer) in complex with CA IX mimic | | Descriptor: | CA IX mimic, Carbonic anhydrase 2, Metala-Carborane di-ethyl-sulfonamide, ... | | Authors: | Kugler, M, Brynda, J, Pospisilova, K, Rezacova, P. | | Deposit date: | 2020-04-06 | | Release date: | 2020-09-09 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Cobalt Bis(dicarbollide) Alkylsulfonamides: Potent and Highly Selective Inhibitors of Tumor Specific Carbonic Anhydrase IX.
Chempluschem, 86, 2021
|
|
5OAR
 | | Crystal structure of native beta-N-acetylhexosaminidase isolated from Aspergillus oryzae | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 3AR,5R,6S,7R,7AR-5-HYDROXYMETHYL-2-METHYL-5,6,7,7A-TETRAHYDRO-3AH-PYRANO[3,2-D]THIAZOLE-6,7-DIOL, ... | | Authors: | Skerlova, J, Rezacova, P, Brynda, J, Pachl, P, Otwinowski, Z, Vanek, O. | | Deposit date: | 2017-06-23 | | Release date: | 2017-12-27 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal structure of native beta-N-acetylhexosaminidase isolated from Aspergillus oryzae sheds light onto its substrate specificity, high stability, and regulation by propeptide.
FEBS J., 285, 2018
|
|
3PO6
 | | Crystal structure of human carbonic anhydrase II with 6,7-Dimethoxy-1-methyl-3,4-dihydroisoquinoline-2(1H)-sulfonamide | | Descriptor: | (1R)-6,7-dimethoxy-1-methyl-3,4-dihydroisoquinoline-2(1H)-sulfonamide, (1S)-6,7-dimethoxy-1-methyl-3,4-dihydroisoquinoline-2(1H)-sulfonamide, ACETATE ION, ... | | Authors: | Mader, P, Brynda, J, Gitto, R, Agnello, S, Ferro, S, De Luca, L, Vullo, D, Supuran, C.T, Chimirri, A. | | Deposit date: | 2010-11-22 | | Release date: | 2011-04-06 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.47 Å) | | Cite: | Structural basis for the interaction between carbonic anhydrase and 1,2,3,4-tetrahydroisoquinolin-2-ylsulfonamides.
J.Med.Chem., 54, 2011
|
|
4YIK
 | | 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
|
|
6G2M
 | | Crystal structure of human mitochondrial 5'(3')-deoxyribonucleotidase in complex with the inhibitor PB-PAU | | Descriptor: | 1,2-ETHANEDIOL, 5'(3')-deoxyribonucleotidase, mitochondrial, ... | | Authors: | Pachl, P, Rezacova, P, Brynda, J. | | Deposit date: | 2018-03-23 | | Release date: | 2018-07-11 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.37 Å) | | Cite: | Structure-based optimization of bisphosphonate nucleoside inhibitors of human 5'(3')-deoxyribonucleotidases
Eur.J.Org.Chem., 2018
|
|
6G2L
 | |
6G2N
 | |
6G22
 | | Crystal structure of human mitochondrial 5'(3')-deoxyribonucleotidase in complex with the inhibitor PB-PEU | | 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, mitochondrial, ... | | Authors: | Pachl, P, Rezacova, P, Brynda, J. | | Deposit date: | 2018-03-22 | | Release date: | 2018-07-11 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Structure-based optimization of bisphosphonate nucleoside inhibitors of human 5'(3')-deoxyribonucleotidases
Eur.J.Org.Chem., 2018
|
|
4YIH
 | | 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
|
|
6YZJ
 | | Closo-carborane ethyl-sulfonamide in complex with CA IX mimic | | Descriptor: | Carbonic anhydrase 2, Carborane ethyl-sulfonamide, ZINC ION | | Authors: | Kugler, M, Brynda, J, Pospisilova, K, Rezacova, P. | | Deposit date: | 2020-05-07 | | Release date: | 2020-10-28 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | The structural basis for the selectivity of sulfonamido dicarbaboranes toward cancer-associated carbonic anhydrase IX.
J Enzyme Inhib Med Chem, 35, 2020
|
|
6YZO
 | | Carborane closo-hexyl-sulfonamide in complex with CA IX mimic | | Descriptor: | Carbonic anhydrase 2, Carborane closo-hexyl-sulfonamide, ZINC ION | | Authors: | Kugler, M, Brynda, J, Pospisilova, K, Rezacova, P. | | Deposit date: | 2020-05-07 | | Release date: | 2020-10-28 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | The structural basis for the selectivity of sulfonamido dicarbaboranes toward cancer-associated carbonic anhydrase IX.
J Enzyme Inhib Med Chem, 35, 2020
|
|
6YZW
 | | Carborane closo-hexyl-sulfonamide in complex with CA II | | Descriptor: | Carbonic anhydrase 2, Carborane closo-hexyl-sulfonamide, ZINC ION | | Authors: | Kugler, M, Brynda, J, Pospisilova, K, Rezacova, P. | | Deposit date: | 2020-05-07 | | Release date: | 2020-10-28 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.03 Å) | | Cite: | The structural basis for the selectivity of sulfonamido dicarbaboranes toward cancer-associated carbonic anhydrase IX.
J Enzyme Inhib Med Chem, 35, 2020
|
|
