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PDB: 392 件
6MBY
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BU of 6mby by Molmil
Carbonic Anhydrase II in complex with Ferulic Acid
分子名称: 3-(4-HYDROXY-3-METHOXYPHENYL)-2-PROPENOIC ACID, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ...
著者Lomelino, C.L, McKenna, R.
登録日2018-08-30
公開日2019-03-13
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.496 Å)
主引用文献Carbonic anhydrase II in complex with carboxylic acid-based inhibitors.
Acta Crystallogr F Struct Biol Commun, 75, 2019
6MBV
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BU of 6mbv by Molmil
Carbonic Anhydrase II in complex with Nicotinic Acid
分子名称: Carbonic anhydrase 2, GLYCEROL, NICOTINIC ACID, ...
著者Lomelino, C.L, McKenna, R.
登録日2018-08-30
公開日2019-03-13
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.695 Å)
主引用文献Carbonic anhydrase II in complex with carboxylic acid-based inhibitors.
Acta Crystallogr F Struct Biol Commun, 75, 2019
8ERK
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BU of 8erk by Molmil
Acheta domesticus segmented densovirus, high buoyancy (HB) capsid, a mixed population of empty and immature full particles
分子名称: Acheta domesticus segmented densovirus major capsid protein
著者Penzes, J.J, McKenna, R, Tijssen, P.
登録日2022-10-12
公開日2022-11-09
最終更新日2024-02-21
実験手法ELECTRON MICROSCOPY (2.5 Å)
主引用文献Bipartite genome and structural organization of the parvovirus Acheta domesticus segmented densovirus.
Nat Commun, 14, 2023
8ER8
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BU of 8er8 by Molmil
Acheta domesticus segmented densovirus, mature virion capsid structure
分子名称: Acheta domesticus segmented densovirus major capsid protein, DNA (5'-D(P*AP*AP*TP*AP*A)-3')
著者Penzes, J.J, McKenna, R, Tijssen, P.
登録日2022-10-11
公開日2022-11-09
最終更新日2024-02-21
実験手法ELECTRON MICROSCOPY (2.3 Å)
主引用文献Bipartite genome and structural organization of the parvovirus Acheta domesticus segmented densovirus.
Nat Commun, 14, 2023
8EM3
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BU of 8em3 by Molmil
Carbonic Anhydrase II in complex with the diaryl urea molecule J2
分子名称: 4-[(3-methoxyphenyl)carbamamido]benzene-1-sulfonamide, Carbonic anhydrase 2, ZINC ION
著者Combs, J, McKenna, R.
登録日2022-09-26
公開日2023-09-27
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献Prospective Diaryl urea: Prevent growth of breast cancer cells by inhibition and down-regulation of Carbonic Anhydrase IX.
To Be Published
3UYN
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BU of 3uyn by Molmil
HCA 3
分子名称: Carbonic anhydrase 3, ZINC ION
著者Fisher, Z, McKenna, R.
登録日2011-12-06
公開日2012-02-01
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.6 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
3UYQ
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HCA 3
分子名称: Carbonic anhydrase 3, ZINC ION
著者Fisher, Z, McKenna, R.
登録日2011-12-06
公開日2011-12-21
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.7 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
6NLV
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BU of 6nlv by Molmil
Selective inhibition of carbonic anhydrase IX activity, using compound SLC-149, displays limited anticancer effects in breast cancer cell lines
分子名称: 4-[3-(2,4-difluorophenyl)-2-oxo-2,3-dihydro-1H-imidazol-1-yl]benzene-1-sulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ...
著者Singh, S, McKenna, R.
登録日2019-01-09
公開日2020-01-15
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.794 Å)
主引用文献Inhibition of Carbonic Anhydrase Using SLC-149: Support for a Noncatalytic Function of CAIX in Breast Cancer.
J.Med.Chem., 64, 2021
8FQZ
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Carbonic Anhydrase II in complex with the alkyl urea 3j
分子名称: 4-hydroxy-3-{[(4-hydroxybutyl)carbamoyl]amino}benzene-1-sulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ...
著者Combs, J.C, McKenna, R.
登録日2023-01-06
公開日2023-02-01
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.467 Å)
主引用文献New Insights into Conformationally Restricted Carbonic Anhydrase Inhibitors.
Molecules, 28, 2023
8FR1
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Carbonic Anhydrase IX in complex with the alkyl urea compound 3g
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-hydroxy-3-({[(pyridin-4-yl)methyl]carbamoyl}amino)benzene-1-sulfonamide, Carbonic anhydrase 2, ...
著者Combs, J.C, McKenna, R.
登録日2023-01-06
公開日2023-02-01
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献New Insights into Conformationally Restricted Carbonic Anhydrase Inhibitors.
Molecules, 28, 2023
8FQY
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Carbonic Anhydrase II in complex with the alkyl urea 3h
分子名称: 4-hydroxy-3-({[2-(pyridin-2-yl)ethyl]carbamoyl}amino)benzene-1-sulfonamide, Carbonic anhydrase 2, ZINC ION
著者Combs, J.C, McKenna, R.
登録日2023-01-06
公開日2023-02-01
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.466 Å)
主引用文献New Insights into Conformationally Restricted Carbonic Anhydrase Inhibitors.
Molecules, 28, 2023
8FR2
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Carbonic Anhydrase IX-mimic in complex with the alkyl urea compound 3h
分子名称: 4-hydroxy-3-({[2-(pyridin-2-yl)ethyl]carbamoyl}amino)benzene-1-sulfonamide, Carbonic anhydrase 2, GLYCEROL, ...
著者Combs, J.C, McKenna, R.
登録日2023-01-06
公開日2023-02-01
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.307 Å)
主引用文献New Insights into Conformationally Restricted Carbonic Anhydrase Inhibitors.
Molecules, 28, 2023
8FR4
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BU of 8fr4 by Molmil
Carbonic Anhydrase IX-mimic in complex with the alkyl urea compound 3j
分子名称: 4-hydroxy-3-{[(4-hydroxybutyl)carbamoyl]amino}benzene-1-sulfonamide, Carbonic anhydrase 2, GLYCEROL, ...
著者Combs, J.E, McKenna, R.
登録日2023-01-06
公開日2023-02-01
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.123 Å)
主引用文献New Insights into Conformationally Restricted Carbonic Anhydrase Inhibitors.
Molecules, 28, 2023
4QK2
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Structural and Catalytic Effects of Proline Substitution and Surface Loop Deletion in the Extended Active Site of Human Carbonic Anhydrase II - E234P
分子名称: Carbonic anhydrase 2, GLYCEROL, ZINC ION
著者Boone, C.D, Rasi, V, McKenna, R.
登録日2014-06-05
公開日2015-03-04
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.519 Å)
主引用文献Structural and catalytic effects of proline substitution and surface loop deletion in the extended active site of human carbonic anhydrase II.
Febs J., 282, 2015
4PXX
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BU of 4pxx by Molmil
Crystal structure of a highly thermal stabilized variant of Human Carbonic Anhydrase II
分子名称: CHOLIC ACID, Carbonic anhydrase 2, MAGNESIUM ION, ...
著者Boone, C.D, Habibzadegan, A, McKenna, R.
登録日2014-03-25
公開日2015-06-10
最終更新日2017-11-22
実験手法X-RAY DIFFRACTION (1.851 Å)
主引用文献Crystal structure of a highly thermal stabilized variant of Human Carbonic Anhydrase II
TO BE PUBLISHED
4QGI
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BU of 4qgi by Molmil
X-ray crystal structure of HIV-1 protease variant G48T/L89M in complex with Saquinavir
分子名称: (2S)-N-[(2S,3R)-4-[(2S,3S,4aS,8aS)-3-(tert-butylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-hydroxy-1 -phenyl-butan-2-yl]-2-(quinolin-2-ylcarbonylamino)butanediamide, GLYCEROL, Protease
著者Mahon, B.P, McKenna, R, Goldfarb, N.
登録日2014-05-22
公開日2014-07-16
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.896 Å)
主引用文献Defective Hydrophobic Sliding Mechanism and Active Site Expansion in HIV-1 Protease Drug Resistant Variant Gly48Thr/Leu89Met: Mechanisms for the Loss of Saquinavir Binding Potency.
Biochemistry, 54, 2015
6OUK
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Carbonic Anhydrase II complexed with benzene sulfonamide MB10-580B
分子名称: (2Z)-2-(hydroxyimino)-2,3-dihydro-1,3-benzoxazole-5-sulfonamide, Carbonic anhydrase 2, GLYCEROL, ...
著者Kota, A, McKenna, R.
登録日2019-05-04
公開日2020-05-06
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.498 Å)
主引用文献Carbonic Anhydrase II complexed with benzene sulfonamide MB10-580B
To Be Published
4QK1
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BU of 4qk1 by Molmil
Structural and Catalytic Effects of Proline Substitution and Surface Loop Deletion in the Extended Active Site of Human Carbonic Anhydrase II - K170P
分子名称: Carbonic anhydrase 2, ZINC ION
著者Boone, C.D, Rasi, V, McKenna, R.
登録日2014-06-05
公開日2015-03-04
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.599 Å)
主引用文献Structural and catalytic effects of proline substitution and surface loop deletion in the extended active site of human carbonic anhydrase II.
Febs J., 282, 2015
6NM0
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BU of 6nm0 by Molmil
Selective inhibition of carbonic anhydrase IX activity, using compound SLC-149, displays limited anticancer effects in breast cancer cell lines
分子名称: 4-[3-(2,4-difluorophenyl)-2-oxo-2,3-dihydro-1H-imidazol-1-yl]benzene-1-sulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ...
著者Singh, S, McKenna, R.
登録日2019-01-10
公開日2020-01-15
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.44 Å)
主引用文献Inhibition of Carbonic Anhydrase Using SLC-149: Support for a Noncatalytic Function of CAIX in Breast Cancer.
J.Med.Chem., 64, 2021
4QK3
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Structural and Catalytic Effects of Proline Substitution and Surface Loop Deletion in the Extended Active Site of Human Carbonic Anhydrase II - [delta]230-240
分子名称: Carbonic anhydrase 2, ZINC ION
著者Boone, C.D, Rasi, V, McKenna, R.
登録日2014-06-05
公開日2015-03-04
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.345 Å)
主引用文献Structural and catalytic effects of proline substitution and surface loop deletion in the extended active site of human carbonic anhydrase II.
Febs J., 282, 2015
4R5A
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BU of 4r5a by Molmil
A Carbonic Anhydrase IX Mimic in Complex with a Carbohydrate-Based Sulfamate
分子名称: (6S)-2,6-anhydro-6-{[(3R)-3-(sulfamoyloxy)pyrrolidin-1-yl]sulfonyl}-D-glucitol, Carbonic anhydrase 2, GLYCEROL, ...
著者Mahon, B.P, McKenna, R.
登録日2014-08-20
公開日2014-10-15
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献Structural Insights into Carbonic Anhydrase IX Isoform Specificity of Carbohydrate-Based Sulfamates.
J.Med.Chem., 57, 2014
3U3A
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BU of 3u3a by Molmil
structure of Human Carbonic Anhydrase II V143I
分子名称: Carbonic anhydrase 2, GLYCEROL, ZINC ION
著者West, D, Mckenna, R.
登録日2011-10-05
公開日2012-10-10
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.549 Å)
主引用文献Structural Analysis of Human Carbonic Anhydrase II Binding Pocket
To be Published
3U7C
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crystal structure of the V143I mutant of human carbonic anhydrase II
分子名称: BICARBONATE ION, CARBON DIOXIDE, Carbonic anhydrase 2, ...
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
最終更新日2023-09-13
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
4RFD
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BU of 4rfd by Molmil
Human carbonic anhydrase II in complex with 4-(4-sulfamoyl-phenoxy)-butylammonium
分子名称: 4-(4-sulfamoyl-phenoxy)-butylammonium, BICARBONATE ION, Carbonic anhydrase 2, ...
著者Bozdag, M, Pinard, M.A, Carta, F, Masini, E, Scozzafava, A, Mckenna, R, Supuran, C.T.
登録日2014-09-25
公開日2015-04-15
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.631 Å)
主引用文献A class of 4-sulfamoylphenyl-omega-aminoalkyl ethers with effective carbonic anhydrase inhibitory action and antiglaucoma effects.
J.Med.Chem., 57, 2014
4R59
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A Carbonic Anhydrase IX Mimic in Complex with a Carbohydrate-Based Sulfamate
分子名称: (1R)-1,5-anhydro-1-{[4-(sulfamoyloxy)piperidin-1-yl]sulfonyl}-D-galactitol, Carbonic anhydrase 2, GLYCEROL, ...
著者Mahon, B.P, McKenna, R.
登録日2014-08-20
公開日2014-10-15
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Structural Insights into Carbonic Anhydrase IX Isoform Specificity of Carbohydrate-Based Sulfamates.
J.Med.Chem., 57, 2014

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件を2024-11-20に公開中

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