Author results

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
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
1D1W
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BOVINE ENDOTHELIAL NITRIC OXIDE SYNTHASE HEME DOMAIN COMPLEXED WITH 2-AMINOTHIAZOLINE (H4B BOUND)
Descriptor:NITRIC OXIDE SYNTHASE, ACETATE ION, ZINC ION, ...
Authors:Li, H., Raman, C.S., Martasek, P., Kral, V., Masters, B.S.S., Poulos, T.L.
Deposit date:1999-09-21
Release date:2000-10-25
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Mapping the active site polarity in structures of endothelial nitric oxide synthase heme domain complexed with isothioureas.
J.Inorg.Biochem., 81, 2000
1ED4
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BOVINE ENDOTHELIAL NITRIC OXIDE SYNTHASE HEME DOMAIN COMPLEXED WITH IPITU (H4B FREE)
Descriptor:NITRIC OXIDE SYNTHASE, ACETATE ION, ZINC ION, ...
Authors:Raman, C.S., Li, H., Martasek, P., Kral, V., Masters, B.S.S., Poulos, T.L.
Deposit date:2000-01-26
Release date:2000-10-25
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Mapping the active site polarity in structures of endothelial nitric oxide synthase heme domain complexed with isothioureas.
J.Inorg.Biochem., 81, 2000
9NSE
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BOVINE ENDOTHELIAL NITRIC OXIDE SYNTHASE, ETHYL-ISOSELENOUREA COMPLEX
Descriptor:PROTEIN (NITRIC OXIDE SYNTHASE), ACETATE ION, ZINC ION, ...
Authors:Li, H., Raman, C.S., Martasek, P., Kral, V., Masters, B.S.S., Poulos, T.L.
Deposit date:1999-01-13
Release date:2000-10-25
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:Mapping the active site polarity in structures of endothelial nitric oxide synthase heme domain complexed with isothioureas.
J.Inorg.Biochem., 81, 2000
1NSE
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BOVINE ENDOTHELIAL NITRIC OXIDE SYNTHASE
Descriptor:NITRIC OXIDE SYNTHASE, ACETATE ION, CACODYLATE ION, ...
Authors:Raman, C.S., Li, H., Martasek, P., Kral, V., Masters, B.S.S., Poulos, T.L.
Deposit date:1998-05-14
Release date:1999-05-18
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of constitutive endothelial nitric oxide synthase: a paradigm for pterin function involving a novel metal center.
Cell(Cambridge,Mass.), 95, 1998
1ZTZ
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CRYSTAL STRUCTURE OF HIV PROTEASE- METALLACARBORANE COMPLEX
Descriptor:PROTEASE RETROPEPSIN, autoproteolytic tetrapeptide, COBALT BIS(1,2-DICARBOLLIDE)
Authors:Cigler, P., Kozisek, M., Rezacova, P., Brynda, J., Otwinowski, Z., Sedlacek, J., Bodem, J., Kraeusslich, H.-G., Kral, V., Konvalinka, J.
Deposit date:2005-05-28
Release date:2005-11-01
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:From nonpeptide toward noncarbon protease inhibitors: Metallacarboranes as specific and potent inhibitors of HIV protease
Proc.Natl.Acad.Sci.USA, 102, 2005
2NSE
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BOVINE ENDOTHELIAL NITRIC OXIDE SYNTHASE SUBSTRATE COMPLEX
Descriptor:NITRIC OXIDE SYNTHASE, CACODYLATE ION, ARGININE, ...
Authors:Raman, C.S., Li, H., Martasek, P., Kral, V., Masters, B.S.S., Poulos, T.L.
Deposit date:1998-08-13
Release date:1999-05-25
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.34 Å)
Cite:Crystal structure of constitutive endothelial nitric oxide synthase: a paradigm for pterin function involving a novel metal center.
Cell(Cambridge,Mass.), 95, 1998
3NSE
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BOVINE ENOS, H4B-FREE, SEITU COMPLEX
Descriptor:NITRIC OXIDE SYNTHASE, ACETATE ION, CACODYLATE ION, ...
Authors:Raman, C.S., Li, H., Martasek, P., Kral, V., Masters, B.S.S., Poulos, T.L.
Deposit date:1998-09-23
Release date:1999-05-18
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of constitutive endothelial nitric oxide synthase: a paradigm for pterin function involving a novel metal center.
Cell(Cambridge,Mass.), 95, 1998
4NSE
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BOVINE ENDOTHELIAL NITRIC OXIDE SYNTHASE, H4B-FREE, L-ARG COMPLEX
Descriptor:NITRIC OXIDE SYNTHASE, ACETATE ION, CACODYLATE ION, ...
Authors:Raman, C.S., Li, H., Martasek, P., Kral, V., Masters, B.S.S., Poulos, T.L.
Deposit date:1998-10-07
Release date:1999-05-18
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Crystal structure of constitutive endothelial nitric oxide synthase: a paradigm for pterin function involving a novel metal center.
Cell(Cambridge,Mass.), 95, 1998
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
6GXB
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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
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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CARBONIC ANHYDRASE CAIX MIMIC IN COMPLEX WITH INHIBITOR JS14
Descriptor:Carbonic anhydrase 2, ZINC ION, 3-[2-[2-[2-[2-(aminomethyloxy)ethoxy]ethoxy]ethoxy]ethoxy]-~{N}-[4-[4-[(4-sulfamoylphenyl)carbamoylamino]phenoxy]butyl]propanamide, ...
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
6T7U
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CARBORANE INHIBITOR OF CARBONIC ANHYDRASE IX
Descriptor:Carbonic anhydrase 2, ZINC ION, Carborane inhibitor
Authors:Brynda, J., Rezacova, P., Kugler, M., Gruner, B.
Deposit date:2019-10-23
Release date:2020-06-17
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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NIDOCARBORANE INHIBITOR OF CARBONIC ANHYDRASE IX
Descriptor:Carbonic anhydrase 2, ZINC ION, Nidocarborane, ...
Authors:Brynda, J., Rezacova, P., Kugler, M., Gruner, B.
Deposit date:2019-10-29
Release date:2020-06-17
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
6RZX
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CARBONIC ANHYDRASE CAIX MIMIC IN COMPLEX WITH INHIBITOR FBSA
Descriptor:Carbonic anhydrase 2, ZINC ION, 1,1,2,2,3,3,4,4,4-nonakis(fluoranyl)butane-1-sulfonamide
Authors:Kugler, M., Brynda, J., Rezacova, P.
Deposit date:2019-06-13
Release date:2020-06-03
Last modified:2020-09-30
Method:X-RAY DIFFRACTION (1 Å)
Cite:Identification of Novel Carbonic Anhydrase IX Inhibitors Using High-Throughput Screening of Pooled Compound Libraries by DNA-Linked Inhibitor Antibody Assay (DIANA).
SLAS Discov, 25, 2020
6S03
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CARBONIC ANHYDRASE CAIX MIMIC IN COMPLEX WITH INHIBITOR I39LT379
Descriptor:Carbonic anhydrase 2, ZINC ION, 4-[[4-[5,5-dimethyl-2-(6-methylpyridin-2-yl)-4,6-dihydropyrrolo[1,2-b]pyrazol-3-yl]pyridin-2-yl]amino]benzenesulfonamide
Authors:Kugler, M., Brynda, J., Rezacova, P.
Deposit date:2019-06-13
Release date:2020-06-03
Last modified:2020-09-30
Method:X-RAY DIFFRACTION (1.38 Å)
Cite:Identification of Novel Carbonic Anhydrase IX Inhibitors Using High-Throughput Screening of Pooled Compound Libraries by DNA-Linked Inhibitor Antibody Assay (DIANA).
SLAS Discov, 25, 2020
3I8W
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CRYSTAL STRUCTURE OF A METALLACARBORANE INHIBITOR BOUND TO HIV PROTEASE
Descriptor:Protease, COBALT BIS(1,2-DICARBOLLIDE), CHLORIDE ION, ...
Authors:Rezacova, P.
Deposit date:2009-07-10
Release date:2009-12-01
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Design of HIV Protease Inhibitors Based on Inorganic Polyhedral Metallacarboranes
J.Med.Chem., 52, 2009
6YJ3
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METALA-CARBORANE DI-PROPYL-SULFONAMIDE
Descriptor:Carbonic anhydrase 2, ZINC ION, Metala-Carborane di-propyl-sulfonamide
Authors:Brynda, J., Rezacova, P., Pospisilova, K., Kugler, M.
Deposit date:2020-04-02
Release date:2020-09-09
Last modified:2020-09-30
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Cobalt Bis(dicarbollide) Alkylsulfonamides: Potent and Highly Selective Inhibitors of Tumor Specific Carbonic Anhydrase IX.
Chempluschem, 2020
6YKC
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METALA-CARBORANE DI-ETHYL-SULFONAMIDE (TRANS ISOMER) IN COMPLEX WITH CA IX MIMIC
Descriptor:Carbonic anhydrase 2, ZINC ION, 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:2020-09-30
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Cobalt Bis(dicarbollide) Alkylsulfonamides: Potent and Highly Selective Inhibitors of Tumor Specific Carbonic Anhydrase IX.
Chempluschem, 2020
6YKH
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METALA-CARBORANE DI-ETHYL-SULFONAMIDE (CIS ISOMER) IN COMPLEX WITH CA IX MIMIC
Descriptor:Carbonic anhydrase 2, ZINC ION, 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:2020-09-30
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Cobalt Bis(dicarbollide) Alkylsulfonamides: Potent and Highly Selective Inhibitors of Tumor Specific Carbonic Anhydrase IX.
Chempluschem, 2020
1DMJ
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BOVINE ENDOTHELIAL NITRIC OXIDE SYNTHASE HEME DOMAIN COMPLEXED WITH 5,6-CYCLIC-TETRAHYDROPTERIDINE
Descriptor:NITRIC OXIDE SYNTHASE, ACETATE ION, CACODYLATE ION, ...
Authors:Kotsonis, P., Frohlich, L.G., Raman, C.S., Li, H., Berg, M., Gerwig, R., Groehn, V., Kang, Y., Al-Masoudi, N., Taghavi-Moghadam, S., Mohr, D., Munch, U., Schnabel, J., Martasek, P., Masters, B.S., Strobel, H., Poulos, T., Matter, H., Pfleiderer, W., Schmidt, H.H.
Deposit date:1999-12-14
Release date:2000-12-20
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Structural basis for pterin antagonism in nitric-oxide synthase. Development of novel 4-oxo-pteridine antagonists of (6R)-5,6,7,8-tetrahydrobiopterin
J.Biol.Chem., 276, 2001
1DMK
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BOVINE ENDOTHELIAL NITRIC OXIDE SYNTHASE HEME DOMAIN COMPLEXED WITH 4-AMINO-6-PHENYL-TETRAHYDROPTERIDINE
Descriptor:NITRIC OXIDE SYNTHASE, ACETATE ION, CACODYLATE ION, ...
Authors:Kotsonis, P., Frohlich, L.G., Raman, C.S., Li, H., Berg, M., Gerwig, R., Groehn, V., Kang, Y., Al-Masoudi, N., Taghavi-Moghadam, S., Mohr, D., Munch, U., Schnabel, J., Martasek, P., Masters, B.S., Strobel, H., Poulos, T., Matter, H., Pfleiderer, W., Schmidt, H.H.
Deposit date:1999-12-14
Release date:2000-12-20
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural basis for pterin antagonism in nitric-oxide synthase. Development of novel 4-oxo-pteridine antagonists of (6R)-5,6,7,8-tetrahydrobiopterin
J.Biol.Chem., 276, 2001
1D0C
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BOVINE ENDOTHELIAL NITRIC OXIDE SYNTHASE HEME DOMAIN COMPLEXED WITH 3-BROMO-7-NITROINDAZOLE (H4B FREE)
Descriptor:BOVINE ENDOTHELIAL NITRIC OXIDE SYNTHASE HEME DOMAIN, ACETATE ION, ZINC ION, ...
Authors:Raman, C.S., Li, H., Martasek, P., Southan, G.J., Masters, B.S.S., Poulos, T.L.
Deposit date:1999-09-09
Release date:2001-11-21
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Crystal structure of nitric oxide synthase bound to nitro indazole reveals a novel inactivation mechanism.
Biochemistry, 40, 2001
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170172
PDB entries from 2020-10-21