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2EU3
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BU of 2eu3 by Molmil
Human Carbonic anhydrase II in complex with novel inhibitors
分子名称: 1-(5-AMINO-1,3,4-THIADIAZOL-2-YL)-1,1-DIFLUOROMETHANESULFONAMIDE, Carbonic anhydrase 2, ZINC ION
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2023-08-23
実験手法X-RAY DIFFRACTION (1.6 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
1LZV
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BU of 1lzv by Molmil
Site-Specific Mutant (Tyr7 replaced with His) of Human Carbonic Anhydrase II
分子名称: Carbonic Anhydrase II, ZINC ION
著者Tu, C.K, Qian, M, An, H, Wadhwa, N.R, Duda, D.M, Yoshioka, C, Pathak, Y, McKenna, R, Laipis, P.J, Silverman, D.N.
登録日2002-06-11
公開日2002-10-23
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Kinetic analysis of multiple proton shuttles in the active site of human carbonic anhydrase.
J.Biol.Chem., 277, 2002
1LUW
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BU of 1luw by Molmil
CATALYTIC AND STRUCTURAL EFFECTS OF AMINO-ACID SUBSTITUTION AT HIS 30 IN HUMAN MANGANESE SUPEROXIDE DISMUTASE: INSERTION OF VAL CGAMMA INTO THE SUBSTRATE ACCESS CHANNEL
分子名称: MANGANESE (II) ION, SULFATE ION, Superoxide dismutase [Mn]
著者Hearn, A.S, Stroupe, M.E, Ramilo, C.A, Luba, J.P, Cabelli, D.E, Tainer, J.A, Silverman, D.N.
登録日2002-05-23
公開日2002-06-19
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Catalytic and structural effects of amino acid substitution at histidine 30 in human manganese superoxide dismutase: insertion of valine C gamma into the substrate access channel
Biochemistry, 42, 2003
2FNM
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BU of 2fnm by Molmil
Activation of human carbonic anhdyrase II by exogenous proton donors
分子名称: ZINC ION, carbonic anhydrase 2
著者Bhatt, D, Fisher, S.Z, Tu, C, McKenna, R, Silverman, D.N.
登録日2006-01-11
公開日2006-11-28
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Location of binding sites in small molecule rescue of human carbonic anhydrase II.
Biophys.J., 92, 2007
3C3S
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BU of 3c3s by Molmil
Role of a Glutamate Bridge Spanning the Dimeric Interface of Human Manganese Superoxide Dismutase
分子名称: MANGANESE (II) ION, SULFATE ION, Superoxide dismutase [Mn]
著者Quint, P.S, Domsic, J.F, Cabelli, D.E, McKenna, R, Silverman, D.N.
登録日2008-01-28
公開日2008-04-22
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Role of a glutamate bridge spanning the dimeric interface of human manganese superoxide dismutase.
Biochemistry, 47, 2008
2QKA
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BU of 2qka by Molmil
Structural and Kinetic Study of the Differences between Human and E.coli Manganese Superoxide Dismutases
分子名称: MANGANESE (II) ION, Superoxide dismutase [Mn]
著者Zheng, J, Domsic, J.F, Cabelli, D, McKenna, R, Silverman, D.N.
登録日2007-07-10
公開日2008-07-29
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural and kinetic study of differences between human and Escherichia coli manganese superoxide dismutases.
Biochemistry, 46, 2007
1KEQ
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BU of 1keq by Molmil
Crystal Structure of F65A/Y131C Carbonic Anhydrase V, covalently modified with 4-chloromethylimidazole
分子名称: 4-METHYLIMIDAZOLE, ACETIC ACID, F65A/Y131C-MI Carbonic Anhydrase V, ...
著者Jude, K.M, Wright, S.K, Tu, C, Silverman, D.N, Viola, R.E, Christianson, D.W.
登録日2001-11-16
公開日2002-03-06
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Crystal structure of F65A/Y131C-methylimidazole carbonic anhydrase V reveals architectural features of an engineered proton shuttle.
Biochemistry, 41, 2002
3L14
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BU of 3l14 by Molmil
Human Carbonic Anhydrase II complexed with Althiazide
分子名称: 4-AMINO-6-CHLOROBENZENE-1,3-DISULFONAMIDE, Carbonic anhydrase 2, ZINC ION
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2024-02-21
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
2QKC
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BU of 2qkc by Molmil
Structural and Kinetic Study of the Differences between Human and E.coli Manganese Superoxide Dismutases
分子名称: MANGANESE (II) ION, Superoxide dismutase [Mn]
著者Zheng, J, Domsic, J.F, Cabelli, D, McKenna, R, Silverman, D.N.
登録日2007-07-10
公開日2008-07-29
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural and kinetic study of differences between human and Escherichia coli manganese superoxide dismutases.
Biochemistry, 46, 2007
1EM1
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BU of 1em1 by Molmil
X-RAY CRYSTAL STRUCTURE FOR HUMAN MANGANESE SUPEROXIDE DISMUTASE, Q143A
分子名称: MANGANESE (II) ION, MANGANESE SUPEROXIDE DISMUTASE, SULFATE ION
著者Leveque, V, Stroupe, M.E, Lepock, J.R, Cabelli, D.E, Tainer, J.A, Nick, H.S, Silverman, D.N.
登録日2000-03-14
公開日2000-03-24
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.13 Å)
主引用文献Multiple replacements of glutamine 143 in human manganese superoxide dismutase: effects on structure, stability, and catalysis.
Biochemistry, 39, 2000
1MOO
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BU of 1moo by Molmil
Site Specific Mutant (H64A) of Human Carbonic Anhydrase II at high resolution
分子名称: 4-METHYLIMIDAZOLE, Carbonic Anhydrase II, 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2024-02-14
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
3C3T
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BU of 3c3t by Molmil
Role of a Glutamate Bridge Spanning the Dimeric Interface of Human Manganese Superoxide Dismutase
分子名称: MANGANESE (II) ION, SULFATE ION, Superoxide dismutase [Mn]
著者Quint, P.S, Domsic, J.F, Cabelli, D.E, McKenna, R, Silverman, D.N.
登録日2008-01-28
公開日2008-04-22
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Role of a glutamate bridge spanning the dimeric interface of human manganese superoxide dismutase.
Biochemistry, 47, 2008
2FNN
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BU of 2fnn by Molmil
Activation of human carbonic anhydrase II by exogenous proton donors
分子名称: 4-METHYLIMIDAZOLE, Carbonic Anhydrase 2, ZINC ION
著者Bhatt, D, Fisher, S.Z, Tu, C, McKenna, R, Silverman, D.N.
登録日2006-01-11
公開日2006-11-28
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Location of binding sites in small molecule rescue of human carbonic anhydrase II.
Biophys.J., 92, 2007
2FNK
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BU of 2fnk by Molmil
Activation of Human Carbonic Anhydrase II by exogenous proton donors
分子名称: Carbonic anhydrase 2, ZINC ION
著者Bhatt, D, Fisher, S.Z, Tu, C, McKenna, R, Silverman, D.N.
登録日2006-01-11
公開日2006-11-28
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Location of binding sites in small molecule rescue of human carbonic anhydrase II.
Biophys.J., 92, 2007
2HFW
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BU of 2hfw by Molmil
Structural and kinetic analysis of proton shuttle residues in the active site of human carbonic anhydrase III
分子名称: Carbonic anhydrase 3, ZINC ION
著者Elder, I, Fisher, S.Z, Laipis, P.J, Tu, C.K, McKenna, R, Silverman, D.N.
登録日2006-06-26
公開日2007-05-08
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural and kinetic analysis of proton shuttle residues in the active site of human carbonic anhydrase III.
Proteins, 68, 2007
3OIK
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BU of 3oik by Molmil
Human Carbonic anhydrase II mutant A65S, N67Q (CA IX mimic) bound by 2-Ethylestradiol 3,17-O,O-bis-sulfamate
分子名称: (9BETA,13ALPHA,14BETA,17ALPHA)-2-ETHYLESTRA-1(10),2,4-TRIENE-3,17-DIYL DISULFAMATE, Carbonic anhydrase 2, GLYCEROL, ...
著者Sippel, K.H, Stander, B.A, Robbins, A.H, Tu, C.K, Agbandje-McKenna, M, Silverman, D.N, Joubert, A.M, McKenna, R.
登録日2010-08-19
公開日2011-07-06
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Characterization of Carbonic Anhydrase Isozyme Specific Inhibition by Sulfamated 2-Ethylestra Compounds
LETT.DRUG DES.DISCOVERY, 8, 2011
5HI0
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BU of 5hi0 by Molmil
The Substrate Binding Mode and Chemical Basis of a Reaction Specificity Switch in Oxalate Decarboxylase
分子名称: COBALT (II) ION, OXALATE ION, Oxalate decarboxylase OxdC, ...
著者Zhu, W, Easthon, L.M, Reinhardt, L.A, Tu, C, Cohen, S.E, Silverman, D.N, Allen, K.N, Richards, N.G.J.
登録日2016-01-11
公開日2016-04-06
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.602 Å)
主引用文献Substrate Binding Mode and Molecular Basis of a Specificity Switch in Oxalate Decarboxylase.
Biochemistry, 55, 2016
2ADQ
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BU of 2adq by Molmil
Human Manganese Superoxide Dismutase
分子名称: MANGANESE (II) ION, POTASSIUM ION, Superoxide dismutase [Mn]
著者Quint, P, Reutzel, R, Mikulski, R, McKenna, R, Silverman, D.N.
登録日2005-07-20
公開日2006-07-04
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal structure of nitrated human manganese superoxide dismutase: mechanism of inactivation.
FREE RADIC.BIOL.MED., 40, 2006
2AX2
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BU of 2ax2 by Molmil
Production and X-ray crystallographic analysis of fully deuterated human carbonic anhydrase II
分子名称: Carbonic anhydrase II, ZINC ION
著者Budayova-Spano, M, Fisher, S.Z, Dauvergne, M.T, Silverman, D.N, Myles, D.A.A, McKenna, R.M.
登録日2005-09-02
公開日2006-01-03
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Production and X-ray crystallographic analysis of fully deuterated human carbonic anhydrase II.
Acta Crystallogr.,Sect.F, 62, 2006
2ADP
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BU of 2adp by Molmil
Nitrated Human Manganese Superoxide Dismutase
分子名称: MANGANESE (II) ION, POTASSIUM ION, Superoxide dismutase [Mn]
著者Quint, P, Reutzel, R, Mikulski, R, McKenna, R, Silverman, D.N.
登録日2005-07-20
公開日2006-07-04
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal structure of nitrated human manganese superoxide dismutase: mechanism of inactivation.
FREE RADIC.BIOL.MED., 40, 2006
2EU2
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BU of 2eu2 by Molmil
Human Carbonic Anhydrase II in complex with novel inhibitors
分子名称: (R)-1-AMINO-1-[5-(DIMETHYLAMINO)-1,3,4-THIADIAZOL-2-YL]METHANESULFONAMIDE, Carbonic anhydrase 2, ZINC ION
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2023-08-23
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
3OKU
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BU of 3oku by Molmil
Human Carbonic Anhydrase II in complex with 2-Ethylestrone-3-O-sulfamate
分子名称: (9beta)-2-ethyl-17-oxoestra-1(10),2,4-trien-3-yl sulfamate, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ...
著者Sippel, K.H, Stander, B.A, Robbins, A.H, Tu, C.K, Agbandje-McKenna, M, Silverman, D.N, Joubert, A.M, McKenna, R.
登録日2010-08-25
公開日2011-07-06
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Characterization of Carbonic Anhydrase Isozyme Specific Inhibition by Sulfamated 2-Ethylestra Compounds
LETT.DRUG DES.DISCOVERY, 8, 2011
3OIM
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BU of 3oim by Molmil
Human Carbonic anhydrase II bound by 2-Ethylestradiol 3-O-sulfamate
分子名称: (14beta,17alpha)-2-ethyl-17-hydroxyestra-1(10),2,4-trien-3-yl sulfamate, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ...
著者Sippel, K.H, Stander, B.A, Robbins, A.H, Tu, C.K, Agbandje-McKenna, M, Silverman, D.N, Joubert, A.M, McKenna, R.
登録日2010-08-19
公開日2011-07-06
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Characterization of Carbonic Anhydrase Isozyme Specific Inhibition by Sulfamated 2-Ethylestra Compounds
LETT.DRUG DES.DISCOVERY, 8, 2011
3OIL
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BU of 3oil by Molmil
Human Carbonic anhydrase II mutant A65S, N67Q (CA IX mimic) bound by 2-Ethylestradiol 3-O-sulfamate
分子名称: (14beta,17alpha)-2-ethyl-17-hydroxyestra-1(10),2,4-trien-3-yl sulfamate, Carbonic anhydrase 2, ZINC ION
著者Sippel, K.H, Stander, B.A, Robbins, A.H, Tu, C.K, Agbandje-McKenna, M, Silverman, D.N, Joubert, A.M, McKenna, R.
登録日2010-08-19
公開日2011-07-06
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Characterization of Carbonic Anhydrase Isozyme Specific Inhibition by Sulfamated 2-Ethylestra Compounds
LETT.DRUG DES.DISCOVERY, 8, 2011
3OKV
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BU of 3okv by Molmil
Human Carbonic Anhydrase II A65S, N67Q (CA IX mimic) bound with 2-Ethylestrone 3-O-sulfamate
分子名称: (9beta)-2-ethyl-17-oxoestra-1(10),2,4-trien-3-yl sulfamate, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ...
著者Sippel, K.H, Stander, B.A, Robbins, A.H, Tu, C.K, Agbandje-McKenna, M, Silverman, D.N, Joubert, A.M, McKenna, R.
登録日2010-08-25
公開日2011-07-06
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Characterization of Carbonic Anhydrase Isozyme Specific Inhibition by Sulfamated 2-Ethylestra Compounds
LETT.DRUG DES.DISCOVERY, 8, 2011

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