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PDB: 1334 件
6G3Q
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BU of 6g3q by Molmil
Crystal structure of human carbonic anhydrase II in complex with the inhibitor famotidine
分子名称: Carbonic anhydrase 2, GLYCEROL, ZINC ION, ...
著者Ferraroni, M, Supuran, C.T, Angeli, A.
登録日2018-03-26
公開日2018-11-28
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.01 Å)
主引用文献Famotidine, an Antiulcer Agent, Strongly InhibitsHelicobacter pyloriand Human Carbonic Anhydrases.
ACS Med Chem Lett, 9, 2018
6GM9
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BU of 6gm9 by Molmil
Human Carbonic Anhydrase II in complex with 4-Methylbenzenesulfonamide
分子名称: 4-methylbenzenesulfonamide, Carbonic anhydrase 2, MERCURIBENZOIC ACID, ...
著者Gloeckner, S, Heine, A, Klebe, G.
登録日2018-05-24
公開日2019-06-19
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.089 Å)
主引用文献Conformational Changes in Alkyl Chains Determine the Thermodynamic and Kinetic Binding Profiles of Carbonic Anhydrase Inhibitors.
Acs Chem.Biol., 15, 2020
6FJJ
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BU of 6fjj by Molmil
Joint neutron and x-ray crystal structure of human carbonic anhydrase IX mimic (saccharin).
分子名称: 1,2-BENZISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDE, Carbonic anhydrase 2, ZINC ION
著者Fisher, S.Z.
登録日2018-01-22
公開日2019-02-06
最終更新日2024-05-01
実験手法NEUTRON DIFFRACTION (1.5 Å), X-RAY DIFFRACTION
主引用文献Using neutron crystallography to elucidate the basis of selective inhibition of carbonic anhydrase by saccharin and a derivative.
J. Struct. Biol., 205, 2019
6FE1
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Three dimensional structure of human carbonic anhydrase IX in complex with benzenesulfonamide.
分子名称: 3-(cyclooctylamino)-2,5,6-trifluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide, Carbonic anhydrase 9, ZINC ION
著者Leitans, J, Tars, K.
登録日2017-12-28
公開日2018-07-04
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Novel fluorinated carbonic anhydrase IX inhibitors reduce hypoxia-induced acidification and clonogenic survival of cancer cells.
Oncotarget, 9, 2018
6FJI
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BU of 6fji by Molmil
Joint neutron and x-ray crystal structure of human carbonic anhydrase IX mimic (apo).
分子名称: Carbonic anhydrase 2, ZINC ION
著者Fisher, S.Z.
登録日2018-01-22
公開日2019-02-06
最終更新日2024-05-01
実験手法NEUTRON DIFFRACTION (1.6 Å), X-RAY DIFFRACTION
主引用文献Using neutron crystallography to elucidate the basis of selective inhibition of carbonic anhydrase by saccharin and a derivative.
J. Struct. Biol., 205, 2019
6G3V
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BU of 6g3v by Molmil
Crystal structure of human carbonic anhydrase I in complex with the inhibitor famotidine
分子名称: Carbonic anhydrase 1, GLYCEROL, ZINC ION, ...
著者Ferraroni, M, Supuran, C.T, Angeli, A.
登録日2018-03-26
公開日2018-11-28
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献Famotidine, an Antiulcer Agent, Strongly InhibitsHelicobacter pyloriand Human Carbonic Anhydrases.
ACS Med Chem Lett, 9, 2018
6G7A
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BU of 6g7a by Molmil
Crystal structure of human carbonic anhydrase isozyme XII 2-(benzylamino)-4-chloro-N-(2-hydroxyethyl)-5-sulfamoyl-benzamide
分子名称: 1,2-ETHANEDIOL, 4-chloranyl-~{N}-(2-hydroxyethyl)-2-[(phenylmethyl)amino]-5-sulfamoyl-benzamide, Carbonic anhydrase 12, ...
著者Smirnov, A, Manakova, E, Grazulis, S.
登録日2018-04-05
公開日2019-03-13
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献Design of two-tail compounds with rotationally fixed benzenesulfonamide ring as inhibitors of carbonic anhydrases.
Eur J Med Chem, 156, 2018
6H29
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BU of 6h29 by Molmil
HUMAN CARBONIC ANHYDRASE II IN COMPLEX WITH BENZYL CARBAMATE
分子名称: (phenylmethyl) carbamate, Carbonic anhydrase 2, ZINC ION
著者Alterio, V, De Simone, G.
登録日2018-07-13
公開日2018-09-05
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.46 Å)
主引用文献Inhibition of carbonic anhydrases by a substrate analog: benzyl carbamate directly coordinates the catalytic zinc ion mimicking bicarbonate binding.
Chem. Commun. (Camb.), 54, 2018
6GXB
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BU of 6gxb by Molmil
Carbonic Anhydrase CAIX mimic in complex with inhibitor JS13
分子名称: Carbonic anhydrase 2, ZINC ION, ~{N}-[4-[4-[(4-sulfamoylphenyl)carbamoylamino]phenoxy]butyl]ethanamide
著者Brynda, J, Rezacova, P, Pospisilova, K.
登録日2018-06-27
公開日2019-05-08
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Inhibitor-Polymer Conjugates as a Versatile Tool for Detection and Visualization of Cancer-Associated Carbonic Anhydrase Isoforms
Acs Omega, 4, 2019
6G98
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BU of 6g98 by Molmil
Three dimensional structure of human carbonic anhydrase IX in complex with sulfonamide
分子名称: 4-[2-[3-(cyclododecylamino)-2,5,6-tris(fluoranyl)-4-sulfamoyl-phenyl]sulfanylethyl]benzoic acid, Carbonic anhydrase 9, ZINC ION
著者Leitans, J, Tars, K.
登録日2018-04-10
公開日2018-07-04
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.47 Å)
主引用文献Novel fluorinated carbonic anhydrase IX inhibitors reduce hypoxia-induced acidification and clonogenic survival of cancer cells.
Oncotarget, 9, 2018
6GDC
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BU of 6gdc by Molmil
Human Carbonic Anhydrase II in complex with Benzenesulfonamide
分子名称: Carbonic anhydrase 2, MERCURIBENZOIC ACID, MERCURY (II) ION, ...
著者Gloeckner, S, Heine, A, Klebe, G.
登録日2018-04-23
公開日2019-05-01
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.079 Å)
主引用文献Conformational Changes in Alkyl Chains Determine the Thermodynamic and Kinetic Binding Profiles of Carbonic Anhydrase Inhibitors.
Acs Chem.Biol., 15, 2020
6GOT
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BU of 6got by Molmil
Crystal structure of human carbonic anhydrase II in complex with the inhibitor 4-(phenethylthio)benzenesulfonamide
分子名称: 4-(2-phenylethylsulfanyl)benzenesulfonamide, Carbonic anhydrase 2, GLYCEROL, ...
著者Ferraroni, M, Supuran, C.T, Angeli, A.
登録日2018-06-04
公開日2018-10-03
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.56 Å)
主引用文献Synthesis of different thio-scaffolds bearing sulfonamide with subnanomolar carbonic anhydrase II and IX inhibitory properties and X-ray investigations for their inhibitory mechanism.
Bioorg. Chem., 81, 2018
6GXE
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BU of 6gxe by Molmil
Carbonic Anhydrase CAIX mimic in complex with inhibitor JS14
分子名称: 3-[2-[2-[2-[2-(aminomethyloxy)ethoxy]ethoxy]ethoxy]ethoxy]-~{N}-[4-[4-[(4-sulfamoylphenyl)carbamoylamino]phenoxy]butyl]propanamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ...
著者Brynda, J, Rezacova, P, Pospisilova, K.
登録日2018-06-27
公開日2019-05-08
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Inhibitor-Polymer Conjugates as a Versatile Tool for Detection and Visualization of Cancer-Associated Carbonic Anhydrase Isoforms
Acs Omega, 2019
12CA
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BU of 12ca by Molmil
ALTERING THE MOUTH OF A HYDROPHOBIC POCKET. STRUCTURE AND KINETICS OF HUMAN CARBONIC ANHYDRASE II MUTANTS AT RESIDUE VAL-121
分子名称: CARBONIC ANHYDRASE II, MERCURY (II) ION, ZINC ION
著者Nair, S.K, Christianson, D.W.
登録日1991-10-01
公開日1992-10-15
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Altering the mouth of a hydrophobic pocket. Structure and kinetics of human carbonic anhydrase II mutants at residue Val-121.
J.Biol.Chem., 266, 1991
1BIC
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BU of 1bic by Molmil
CRYSTALLOGRAPHIC ANALYSIS OF THR-200-> HIS HUMAN CARBONIC ANHYDRASE II AND ITS COMPLEX WITH THE SUBSTRATE, HCO3-
分子名称: BICARBONATE ION, CARBONIC ANHYDRASE II, METHYL MERCURY ION, ...
著者Xue, Y, Vidgren, J, Svensson, L.A, Liljas, A, Jonsson, B.-H, Lindskog, S.
登録日1992-09-01
公開日1993-10-31
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystallographic analysis of Thr-200-->His human carbonic anhydrase II and its complex with the substrate, HCO3-.
Proteins, 15, 1993
1BNT
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BU of 1bnt by Molmil
CARBONIC ANHYDRASE II INHIBITOR
分子名称: 3,4-DIHYDRO-4-HYDROXY-2-(4-METHOXYPHENYL)-2H-THIENO[3,2-E]-1,2-THIAZINE-6-SULFONAMIDE-1,1-DIOXIDE, CARBONIC ANHYDRASE, MERCURY (II) ION, ...
著者Boriack-Sjodin, P.A, Zeitlin, S, Christianson, D.W.
登録日1998-07-30
公開日1999-06-15
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Structural analysis of inhibitor binding to human carbonic anhydrase II.
Protein Sci., 7, 1998
1BNU
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BU of 1bnu by Molmil
CARBONIC ANHYDRASE II INHIBITOR
分子名称: 3,4-DIHYDRO-4-HYDROXY-2-(2-THIENYMETHYL)-2H-THIENO[3,2-E]-1,2-THIAZINE-6-SULFONAMIDE-1,1-DIOXIDE, CARBONIC ANHYDRASE, MERCURY (II) ION, ...
著者Boriack-Sjodin, P.A, Zeitlin, S, Christianson, D.W.
登録日1998-07-30
公開日1999-06-15
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Structural analysis of inhibitor binding to human carbonic anhydrase II.
Protein Sci., 7, 1998
1BNW
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BU of 1bnw by Molmil
CARBONIC ANHYDRASE II INHIBITOR
分子名称: CARBONIC ANHYDRASE, MERCURY (II) ION, N-(2-THIENYLMETHYL)-2,5-THIOPHENEDISULFONAMIDE, ...
著者Boriack-Sjodin, P.A, Zeitlin, S, Christianson, D.W.
登録日1998-07-30
公開日1999-06-15
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Structural analysis of inhibitor binding to human carbonic anhydrase II.
Protein Sci., 7, 1998
1BNM
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BU of 1bnm by Molmil
CARBONIC ANHYDRASE II INHIBITOR
分子名称: (R)-3,4-DIHYDRO-2-(3-METHOXYPHENYL)-4-METHYLAMINO-2H-THIENO[3,2-E]-1,2-THIAZINE-6-SULFONAMIDE-1,1-DIOXIDE, CARBONIC ANHYDRASE, MERCURY (II) ION, ...
著者Boriack-Sjodin, P.A, Zeitlin, S, Christianson, D.W.
登録日1998-07-30
公開日1999-05-18
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural analysis of inhibitor binding to human carbonic anhydrase II.
Protein Sci., 7, 1998
1BN3
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BU of 1bn3 by Molmil
CARBONIC ANHYDRASE II INHIBITOR
分子名称: 2-(3-METHOXYPHENYL)-2H-THIENO-[3,2-E]-1,2-THIAZINE-6-SULFINAMIDE-1,1-DIOXIDE, CARBONIC ANHYDRASE, MERCURY (II) ION, ...
著者Boriack-Sjodin, P.A, Zeitlin, S, Christianson, D.W.
登録日1998-07-31
公開日1999-05-18
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural analysis of inhibitor binding to human carbonic anhydrase II.
Protein Sci., 7, 1998
1BNN
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BU of 1bnn by Molmil
CARBONIC ANHYDRASE II INHIBITOR
分子名称: 3,,4-DIHYDRO-2-(3-METHOXYPHENYL)-2H-THIENO-[3,2-E]-1,2-THIAZINE-6-SULFONAMIDE-1,1-DIOXIDE, CARBONIC ANHYDRASE, MERCURY (II) ION, ...
著者Boriack-Sjodin, P.A, Zeitlin, S, Christianson, D.W.
登録日1998-07-30
公開日1999-05-18
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural analysis of inhibitor binding to human carbonic anhydrase II.
Protein Sci., 7, 1998
1BZM
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BU of 1bzm by Molmil
DRUG-PROTEIN INTERACTIONS: STRUCTURE OF SULFONAMIDE DRUG COMPLEXED WITH HUMAN CARBONIC ANHYDRASE I
分子名称: CARBONIC ANHYDRASE I, N-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2(3H)-ylidene)acetamide, ZINC ION
著者Chakravarty, S, Kannan, K.K.
登録日1993-11-28
公開日1994-04-30
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Drug-protein interactions. Refined structures of three sulfonamide drug complexes of human carbonic anhydrase I enzyme.
J.Mol.Biol., 243, 1994
1BV3
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BU of 1bv3 by Molmil
HUMAN CARBONIC ANHYDRASE II COMPLEXED WITH UREA
分子名称: 4-(HYDROXYMERCURY)BENZOIC ACID, PROTEIN (CARBONIC ANHYDRASE II), UREA, ...
著者Briganti, F, Mangani, S, Scozzafava, A, Vernaglione, G, Supuran, C.T.
登録日1998-09-22
公開日1999-09-28
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Carbonic anhydrase catalyzes cyanamide hydration to urea: is it mimicking the physiological reaction?
J.Biol.Inorg.Chem., 4, 1999
1CAK
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BU of 1cak by Molmil
STRUCTURAL ANALYSIS OF THE ZINC HYDROXIDE-THR 199-GLU 106 HYDROGEN BONDING NETWORK IN HUMAN CARBONIC ANHYDRASE II
分子名称: CARBONIC ANHYDRASE II, SULFATE ION, ZINC ION
著者Xue, Y, Liljas, A, Jonsson, B.-H, Lindskog, S.
登録日1992-09-17
公開日1993-10-31
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural analysis of the zinc hydroxide-Thr-199-Glu-106 hydrogen-bond network in human carbonic anhydrase II.
Proteins, 17, 1993
1CA3
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UNEXPECTED PH-DEPENDENT CONFORMATION OF HIS-64, THE PROTON SHUTTLE OF CARBONIC ANHYDRASE II.
分子名称: CARBONIC ANHYDRASE II, MERCURY (II) ION, ZINC ION
著者Nair, S.K, Christianson, D.W.
登録日1991-11-18
公開日1992-10-15
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Unexpected Ph-Dependent Conformation of His-64, the Proton Shuttle of Carbonic Anhydrase II.
J.Am.Chem.Soc., 113, 1991

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