Author results

1EM0
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COMPLEX OF D(CCTAGG) WITH TETRA-[N-METHYL-PYRIDYL] PORPHYRIN
分子名称:DNA (5'-D(*(CBR)P*CP*TP*AP*GP*G)-3'), MAGNESIUM ION, TETRA[N-METHYL-PYRIDYL] PORPHYRIN-NICKEL
著者Neidle, S., Sanderson, M., Bennett, M., Krah, A., Wien, F., Garman, E., McKenna, R.
登録日2000-03-14
公開日2000-08-21
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (0.9 Å)
主引用文献A DNA-porphyrin minor-groove complex at atomic resolution: the structural consequences of porphyrin ruffling.
Proc.Natl.Acad.Sci.USA, 97, 2000
3KS3
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HIGH RESOLUTION STRUCTURE OF HUMAN CARBONIC ANHYDRASE II AT 0.9 A
分子名称:Carbonic anhydrase 2, ZINC ION, GLYCEROL
著者Avvaru, B.S.
登録日2009-11-20
公開日2010-01-26
最終更新日2019-07-17
実験手法X-RAY DIFFRACTION (0.9 Å)
主引用文献A short, strong hydrogen bond in the active site of human carbonic anhydrase II.
Biochemistry, 49, 2010
5Y2S
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7.0 ATM CO2-PRESSURIZED HUMAN CARBONIC ANHYDRASE II
分子名称:Carbonic anhydrase 2, ZINC ION, CARBON DIOXIDE, ...
著者Kim, C.U., Park, S.Y.
登録日2017-07-27
公開日2018-02-14
実験手法X-RAY DIFFRACTION (0.9 Å)
主引用文献Active-site solvent replenishment observed during human carbonic anhydrase II catalysis.
IUCrJ, 5, 2018
3U7C
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CRYSTAL STRUCTURE OF THE V143I MUTANT OF HUMAN CARBONIC ANHYDRASE II
分子名称:Carbonic anhydrase 2, ZINC ION, CARBON DIOXIDE, ...
著者West, D.M., Kim, C.U., Robbins, A.H., Mckenna, R.
登録日2011-10-13
公開日2013-02-13
実験手法X-RAY DIFFRACTION (0.93 Å)
主引用文献crystal structure of the V143I mutant of human carbonic anhydrase II
To be Published
5Y2R
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2.5 ATM CO2-PRESSURIZED HUMAN CARBONIC ANHYDRASE II
分子名称:Carbonic anhydrase 2, ZINC ION, CARBON DIOXIDE, ...
著者Kim, C.U., Park, S.Y.
登録日2017-07-27
公開日2018-02-14
実験手法X-RAY DIFFRACTION (1 Å)
主引用文献Active-site solvent replenishment observed during human carbonic anhydrase II catalysis.
IUCrJ, 5, 2018
1MOO
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SITE SPECIFIC MUTANT (H64A) OF HUMAN CARBONIC ANHYDRASE II AT HIGH RESOLUTION
分子名称:Carbonic Anhydrase II, ZINC ION, MERCURY (II) ION, ...
著者Duda, D.M., Govindasamy, L., Agbandje-McKenna, M., Tu, C.K., Silverman, D.N., McKenna, R.
登録日2002-09-09
公開日2002-09-18
最終更新日2018-04-04
実験手法X-RAY DIFFRACTION (1.05 Å)
主引用文献The refined atomic structure of carbonic anhydrase II at 1.05 A resolution: implications of chemical rescue of proton transfer.
Acta Crystallogr.,Sect.D, 59, 2003
2ILI
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REFINE ATOMIC STRUCTURE OF HUMAN CARBONIC ANHYDRASE II
分子名称:Carbonic anhydrase 2, ZINC ION
著者Fisher, S.Z.
登録日2006-10-02
公開日2007-06-05
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.05 Å)
主引用文献Atomic crystal and molecular dynamics simulation structures of human carbonic anhydrase II: insights into the proton transfer mechanism
Biochemistry, 46, 2007
3D92
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HUMAN CARBONIC ANHYDRASE II BOUND WITH SUBSTRATE CARBON DIOXIDE
分子名称:carbonic anhydrase II, ZINC ION, CARBON DIOXIDE, ...
著者Domsic, J.F., Avvaru, B.S., McKenna, R.
登録日2008-05-26
公開日2008-09-02
最終更新日2018-01-24
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Entrapment of carbon dioxide in the active site of carbonic anhydrase II
J.Biol.Chem., 283, 2008
3D93
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APO HUMAN CARBONIC ANHYDRASE II BOUND WITH SUBSTRATE CARBON DIOXIDE
分子名称:carbonic anhydrase II, CARBON DIOXIDE, GLYCEROL
著者Domsic, J.F., Avvaru, B.S., McKenna, R.
登録日2008-05-26
公開日2008-09-02
最終更新日2017-10-25
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Entrapment of carbon dioxide in the active site of carbonic anhydrase II
J.Biol.Chem., 283, 2008
3HS4
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HUMAN CARBONIC ANHYDRASE II COMPLEXED WITH ACETAZOLAMIDE
分子名称:Carbonic anhydrase 2, ZINC ION, GLYCEROL, ...
著者Robbins, A.H., Genis, C., Domsic, J., Sippel, K.H., Agbandje-McKenna, M., McKenna, R.
登録日2009-06-10
公開日2009-12-08
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献High-resolution structure of human carbonic anhydrase II complexed with acetazolamide reveals insights into inhibitor drug design.
Acta Crystallogr.,Sect.F, 65, 2009
4RUX
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CRYSTAL STRUCTURE OF HUMAN CARBONIC ANHYDRASE II IN COMPLEX WITH 4-(ALLYLOXY)BENZENESULFONAMIDE
分子名称:Carbonic anhydrase 2, ZINC ION, 4-(allyloxy)benzenesulfonamide, ...
著者Pinard, M.A., Mckenna, R.
登録日2014-11-23
公開日2015-04-22
最終更新日2017-11-22
実験手法X-RAY DIFFRACTION (1.14 Å)
主引用文献A class of sulfonamide carbonic anhydrase inhibitors with neuropathic pain modulating effects.
Bioorg.Med.Chem., 23, 2015
4RUY
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CRYSTAL STRUCTURE OF HUMAN CARBONIC ANHYDRASE II IN COMPLEX WITH 4-PROPOXYBENZENESULFONAMIDE
分子名称:Carbonic anhydrase 2, ZINC ION, 4-propoxybenzenesulfonamide, ...
著者Pinard, M.A., Mckenna, R.
登録日2014-11-23
公開日2015-04-22
最終更新日2017-11-22
実験手法X-RAY DIFFRACTION (1.14 Å)
主引用文献A class of sulfonamide carbonic anhydrase inhibitors with neuropathic pain modulating effects.
Bioorg.Med.Chem., 23, 2015
4HF3
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ACTIVITY ENHANCERS OF H64A VARIANT OF HUMAN CARBONIC ANHYDRASE II POSSESS MULTIPLE BINDING SITES WITHIN AND AROUND THE ENZYME STRUCTURE
分子名称:Carbonic anhydrase 2, ZINC ION, IMIDAZOLE
著者Aggarwal, M., McKenna, R.
登録日2012-10-04
公開日2013-10-23
最終更新日2017-11-15
実験手法X-RAY DIFFRACTION (1.1476 Å)
主引用文献Structural insight into activity enhancement and inhibition of H64A carbonic anhydrase II by imidazoles.
IUCrJ, 1, 2014
2EU2
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HUMAN CARBONIC ANHYDRASE II IN COMPLEX WITH NOVEL INHIBITORS
分子名称:Carbonic anhydrase 2, ZINC ION, (R)-1-AMINO-1-[5-(DIMETHYLAMINO)-1,3,4-THIADIAZOL-2-YL]METHANESULFONAMIDE
著者Fisher, S.Z., Govindasamy, L., Boyle, N., Agbandje-McKenna, M., Silverman, D.N., Blackburn, G.M., McKenna, R.
登録日2005-10-28
公開日2006-07-11
最終更新日2017-10-18
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献X-ray crystallographic studies reveal that the incorporation of spacer groups in carbonic anhydrase inhibitors causes alternate binding modes.
Acta Crystallogr.,Sect.F, 62, 2006
2NXT
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STRUCTURAL AND KINETIC EFFECTS OF HYDROPHOBIC MUTATIONS IN THE ACTIVE SITE OF HUMAN CARBONIC ANHYDRASE II
分子名称:carbonic anhydrase 2, ZINC ION
著者Fisher, S.Z., McKenna, R.
登録日2006-11-19
公開日2007-04-24
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献Speeding Up Proton Transfer in a Fast Enzyme: Kinetic and Crystallographic Studies on the Effect of Hydrophobic Amino Acid Substitutions in the Active Site of Human Carbonic Anhydrase II.
Biochemistry, 46, 2007
5SZ6
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CARBONIC ANHYDRASE IX-MIMIC IN COMPLEX WITH 4-(3-FORMYLPHENYL)-BENZENESULFONAMIDE
分子名称:Carbonic anhydrase 2, ZINC ION, 4-(3-formylphenyl)-benzenesulfonamide, ...
著者Bhatt, A., Mahon, B.P., Cornelio, B., McKenna, R.
登録日2016-08-12
公開日2016-12-28
最終更新日2017-02-01
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献Structure-Activity Relationships of Benzenesulfonamide-Based Inhibitors towards Carbonic Anhydrase Isoform Specificity.
Chembiochem, 18, 2017
4ITO
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HUMAN CA II INHIBITION BY NOVEL SULFONAMIDE
分子名称:Carbonic anhydrase 2, ZINC ION, GLYCEROL, ...
著者Aggarwal, M., McKenna, R.
登録日2013-01-18
公開日2014-03-26
実験手法X-RAY DIFFRACTION (1.162 Å)
主引用文献Human CA II inhibition by novel sulfonamide
To be Published
6B4D
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CRYSTAL STRUCTURE OF HUMAN CARBONIC ANHYDRASE II IN COMPLEX WITH A HETEROARYL-PYRAZOLE CARBOXYLIC ACID DERIVATIVE.
分子名称:Carbonic anhydrase 2, ZINC ION, DIMETHYL SULFOXIDE, ...
著者Lomelino, C.L., Mahon, B.P., McKenna, R.
登録日2017-09-26
公開日2018-02-07
最終更新日2018-04-18
実験手法X-RAY DIFFRACTION (1.196 Å)
主引用文献Exploring Heteroaryl-pyrazole Carboxylic Acids as Human Carbonic Anhydrase XII Inhibitors.
ACS Med Chem Lett, 8, 2017
2R8N
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STRUCTURAL ANALYSIS OF THE UNBOUND FORM OF HIV-1 SUBTYPE C PROTEASE
分子名称:Pol protein, GLYCEROL
著者Coman, R.M., Robbins, A.H., McKenna, R., Dunn, B.M.
登録日2007-09-11
公開日2008-07-29
最終更新日2017-10-25
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献High-resolution structure of unbound human immunodeficiency virus 1 subtype C protease: implications of flap dynamics and drug resistance.
Acta Crystallogr.,Sect.D, 64, 2008
4FIK
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HUMAN CARBONIC ANHYDRASE II H64A COMPLEXED WITH THIOXOLONE HYDROLYSIS PRODUCTS
分子名称:Carbonic anhydrase 2, ZINC ION, 2,4-dihydroxybenzenesulfenic acid, ...
著者Sippel, K.H., Genis, C., Govindasamy, L., Agbandje-McKenna, M., Tripp, B.C., McKenna, R.
登録日2012-06-08
公開日2012-06-27
最終更新日2019-07-17
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Synchrotron Radiation Provides a Plausible Explanation for the Generation of a Free Radical Adduct of Thioxolone in Mutant Carbonic Anhydrase II.
J Phys Chem Lett, 1, 2010
5YUI
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CO2 RELEASE IN HUMAN CARBONIC ANHYDRASE II CRYSTALS: REVEAL HISTIDINE 64 AND SOLVENT DYNAMICS
分子名称:Carbonic anhydrase 2, ZINC ION, CARBON DIOXIDE, ...
著者Kim, C.U., Park, S.Y., McKenna, R.
登録日2017-11-22
公開日2018-08-01
最終更新日2019-02-20
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Tracking solvent and protein movement during CO2 release in carbonic anhydrase II crystals.
Proc. Natl. Acad. Sci. U.S.A., 113, 2016
3L14
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HUMAN CARBONIC ANHYDRASE II COMPLEXED WITH ALTHIAZIDE
分子名称:Carbonic anhydrase 2, ZINC ION, 4-AMINO-6-CHLOROBENZENE-1,3-DISULFONAMIDE
著者Quirit, J.G., Robbins, A., Genis, C., Tu, C., Silverman, D.N., McKenna, R.
登録日2009-12-10
公開日2011-01-05
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.22 Å)
主引用文献The Promiscuous Nature of Althiazide in Adducts with CA II and CA IX Mimic
To be Published
5YUJ
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CO2 RELEASE IN HUMAN CARBONIC ANHYDRASE II CRYSTALS: REVEAL HISTIDINE 64 AND SOLVENT DYNAMICS
分子名称:Carbonic anhydrase 2, ZINC ION, GLYCEROL
著者Kim, C.U., Park, S.Y., McKenna, R.
登録日2017-11-22
公開日2018-08-01
最終更新日2019-02-20
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Tracking solvent and protein movement during CO2 release in carbonic anhydrase II crystals.
Proc. Natl. Acad. Sci. U.S.A., 113, 2016
3GZ0
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APO-HUMAN CARBONIC ANHYDRASE II REVISITED: IMPLICATIONS OF THE LOSS OF A METAL IN PROTEIN STRUCTURE, STABILITY AND SOLVENT NETWORK
分子名称:Carbonic anhydrase 2, ZINC ION
著者Avvaru, B.S., McKenna, R.
登録日2009-04-06
公開日2009-07-21
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.26 Å)
主引用文献Apo-Human Carbonic Anhydrase II Revisited: Implications of the Loss of a Metal in Protein Structure, Stability, and Solvent Network .
Biochemistry, 48, 2009
5SZ5
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CARBONIC ANHYDRASE IX-MIMIC IN COMPLEX WITH 4-(2-METHYLPHENYL)-BENZENESULFONAMIDE
分子名称:Carbonic anhydrase 2, ZINC ION, DIMETHYL SULFOXIDE, ...
著者Bhatt, A., Mahon, B.P., Cornelio, B., McKenna, R.
登録日2016-08-12
公開日2016-12-28
最終更新日2017-02-01
実験手法X-RAY DIFFRACTION (1.274 Å)
主引用文献Structure-Activity Relationships of Benzenesulfonamide-Based Inhibitors towards Carbonic Anhydrase Isoform Specificity.
Chembiochem, 18, 2017