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PDB: 389 results

5DSR
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BU of 5dsr by Molmil
Structure of CO2 released apo-form of human carbonic anhydrase II with 10 min warming
Descriptor: Carbonic anhydrase 2, GLYCEROL
Authors:Kim, C.U, Park, S.Y, McKenna, R.
Deposit date:2015-09-17
Release date:2016-05-04
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Tracking solvent and protein movement during CO2 release in carbonic anhydrase II crystals
Proc. Natl. Acad. Sci. U.S.A., 113, 2016
5DSP
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BU of 5dsp by Molmil
Structure of CO2 released apo-form of human carbonic anhydrase II with 40 sec warming
Descriptor: Carbonic anhydrase 2, GLYCEROL
Authors:Kim, C.U, Park, S.Y, McKenna, R.
Deposit date:2015-09-17
Release date:2016-05-04
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Tracking solvent and protein movement during CO2 release in carbonic anhydrase II crystals
Proc. Natl. Acad. Sci. U.S.A., 113, 2016
5DSO
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BU of 5dso by Molmil
Structure of CO2 bound apo-form of human carbonic anhydrase II with 0 sec (no) warming
Descriptor: CARBON DIOXIDE, Carbonic anhydrase 2, GLYCEROL
Authors:Kim, C.U, Park, S.Y, McKenna, R.
Deposit date:2015-09-17
Release date:2016-05-04
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Tracking solvent and protein movement during CO2 release in carbonic anhydrase II crystals
Proc. Natl. Acad. Sci. U.S.A., 113, 2016
8SD9
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BU of 8sd9 by Molmil
Carbonic anhydrase II radiation damage RT 121-150
Descriptor: Carbonic anhydrase 2, ZINC ION
Authors:Combs, J.E, Mckenna, R.
Deposit date:2023-04-06
Release date:2024-03-13
Method:X-RAY DIFFRACTION (1.904 Å)
Cite:XFEL structure of carbonic anhydrase II: a comparative study of XFEL, NMR, X-ray and neutron structures.
Acta Crystallogr D Struct Biol, 80, 2024
8SF1
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BU of 8sf1 by Molmil
Carbonic anhydrase II XFEL radiation damage RT
Descriptor: Carbonic anhydrase 2, ZINC ION
Authors:Combs, J.E, Mckenna, R.
Deposit date:2023-04-10
Release date:2024-03-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:XFEL structure of carbonic anhydrase II: a comparative study of XFEL, NMR, X-ray and neutron structures.
Acta Crystallogr D Struct Biol, 80, 2024
7SV8
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BU of 7sv8 by Molmil
Carbonic Anhydrase IX-mimic Complexed with 3-((2-((Furan-2-ylmethyl)(4-sulfamoylphenethyl)amino)-2-oxoethyl)(phenethyl)amino)propanoic acid
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Carbonic anhydrase 2, N-(2-{[(naphthalen-2-yl)methyl][2-(4-sulfamoylphenyl)ethyl]amino}-2-oxoethyl)-N-(2-phenylethyl)-beta-alanine, ...
Authors:Combs, J.E, McKenna, R.
Deposit date:2021-11-18
Release date:2022-04-06
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.388 Å)
Cite:The three-tails approach as a new strategy to improve selectivity of action of sulphonamide inhibitors against tumour-associated carbonic anhydrase IX and XII.
J Enzyme Inhib Med Chem, 37, 2022
7SUY
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BU of 7suy by Molmil
Carbonic Anhydrase IX-mimic Complexed with 2-((3-Aminopropyl)(phenethyl)amino)-N-(4-fluorobenzyl)-N-(4-sulfamoylphenethyl)acetamide
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Carbonic anhydrase 2, N-[(furan-2-yl)methyl]-N-[2-(4-sulfamoylphenyl)ethyl]glycinamide, ...
Authors:Combs, J.E, McKenna, R.
Deposit date:2021-11-18
Release date:2022-04-06
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.405 Å)
Cite:The three-tails approach as a new strategy to improve selectivity of action of sulphonamide inhibitors against tumour-associated carbonic anhydrase IX and XII.
J Enzyme Inhib Med Chem, 37, 2022
7SV1
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BU of 7sv1 by Molmil
Carbonic Anhydrase IX-mimic Complexed with 3-((2-((Naphthalen-2-ylmethyl)(4-sulfamoylphenethyl)amino)-2-oxoethyl)(phenethyl)amino)propanoic acid
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Carbonic anhydrase 2, N~2~-(3-aminopropyl)-N-[(4-fluorophenyl)methyl]-N~2~-(2-phenylethyl)-N-[2-(4-sulfamoylphenyl)ethyl]glycinamide, ...
Authors:Combs, J.E, McKenna, R.
Deposit date:2021-11-18
Release date:2022-04-06
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.559 Å)
Cite:The three-tails approach as a new strategy to improve selectivity of action of sulphonamide inhibitors against tumour-associated carbonic anhydrase IX and XII.
J Enzyme Inhib Med Chem, 37, 2022
7SX5
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BU of 7sx5 by Molmil
Crystal structure of ligase I with nick duplexes containing mismatch A:C
Descriptor: ADENOSINE MONOPHOSPHATE, DNA chain 1, DNA chain 2, ...
Authors:Tang, Q, Gulkis, M, McKenna, R, Caglayan, M.
Deposit date:2021-11-22
Release date:2022-07-13
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structures of LIG1 that engage with mutagenic mismatches inserted by pol beta in base excision repair.
Nat Commun, 13, 2022
7SXE
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BU of 7sxe by Molmil
Crystal structure of ligase I with nick duplexes containing cognate G:T
Descriptor: ADENOSINE MONOPHOSPHATE, DNA chain 1, DNA chain 2, ...
Authors:Tang, Q, Gulkis, M, McKenna, R, Caglayan, M.
Deposit date:2021-11-22
Release date:2022-07-13
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structures of LIG1 that engage with mutagenic mismatches inserted by pol beta in base excision repair.
Nat Commun, 13, 2022
7SUM
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BU of 7sum by Molmil
Crystal structure of human ligase I with nick duplexes containing cognate A:T
Descriptor: ADENOSINE MONOPHOSPHATE, DNA ligase 1, DNA(5'-*GP*CP*TP*GP*AP*TP*GP*CP*GP*TP*A-3'), ...
Authors:Tang, Q, Gulkis, M, McKenna, R, Caglayan, M.
Deposit date:2021-11-17
Release date:2022-07-13
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structures of LIG1 that engage with mutagenic mismatches inserted by pol beta in base excision repair.
Nat Commun, 13, 2022
4N16
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BU of 4n16 by Molmil
Structure of cholate bound to human carbonic anhydrase II
Descriptor: CHOLIC ACID, Carbonic anhydrase 2, GLYCEROL, ...
Authors:Boone, C.D, McKenna, R.
Deposit date:2013-10-03
Release date:2014-06-18
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Structural elucidation of the hormonal inhibition mechanism of the bile acid cholate on human carbonic anhydrase II.
Acta Crystallogr.,Sect.D, 70, 2014
8SD1
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BU of 8sd1 by Molmil
Carbonic anhydrase II radiation damage RT 1-30
Descriptor: Carbonic anhydrase 2, ZINC ION
Authors:Combs, J.C, Mckenna, R.
Deposit date:2023-04-06
Release date:2024-03-13
Method:X-RAY DIFFRACTION (1.298 Å)
Cite:XFEL structure of carbonic anhydrase II: a comparative study of XFEL, NMR, X-ray and neutron structures.
Acta Crystallogr D Struct Biol, 80, 2024
8SD7
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BU of 8sd7 by Molmil
Carbonic anhydrase II radiation damage RT 61-90
Descriptor: Carbonic anhydrase 2, ZINC ION
Authors:Combs, J.E, Mckenna, R.
Deposit date:2023-04-06
Release date:2024-03-13
Method:X-RAY DIFFRACTION (1.704 Å)
Cite:XFEL structure of carbonic anhydrase II: a comparative study of XFEL, NMR, X-ray and neutron structures.
Acta Crystallogr D Struct Biol, 80, 2024
8SD6
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BU of 8sd6 by Molmil
Carbonic anhydrase II radiation damage RT 31-60
Descriptor: Carbonic anhydrase 2, ZINC ION
Authors:Combs, J.E, Mckenna, R.
Deposit date:2023-04-06
Release date:2024-03-13
Method:X-RAY DIFFRACTION (1.397 Å)
Cite:XFEL structure of carbonic anhydrase II: a comparative study of XFEL, NMR, X-ray and neutron structures.
Acta Crystallogr D Struct Biol, 80, 2024
8SAG
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BU of 8sag by Molmil
Carbonic anhydrase II in complex with the coumarin benzene sulfonamide SG1-57
Descriptor: 2-[(2-oxo-2H-1-benzopyran-7-yl)oxy]-N-[(4-sulfamoylphenyl)methyl]acetamide, Carbonic anhydrase 2, GLYCEROL, ...
Authors:Combs, J.E, Mckenna, R.
Deposit date:2023-03-31
Release date:2024-04-03
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:Carbonic anhydrase II in complex with novel coumarin benzene sulfonamides
To Be Published
8SAF
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BU of 8saf by Molmil
CA II in complex with the coumarin benzene sulfonamide SG1-51
Descriptor: 2-[(2-oxo-3,4-dihydro-2H-1-benzopyran-7-yl)oxy]-N-(4-sulfamoylphenyl)acetamide, Carbonic anhydrase 2, ZINC ION
Authors:Combs, J.E, Mckenna, R.
Deposit date:2023-03-31
Release date:2024-04-03
Method:X-RAY DIFFRACTION (1.23 Å)
Cite:CA in complex with novel coumarin benzene sulfonamides
To Be Published
8SD8
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BU of 8sd8 by Molmil
Carbonic anhydrase II radiation damage RT 91-120
Descriptor: Carbonic anhydrase 2, ZINC ION
Authors:Combs, J.E, Mckenna, R.
Deposit date:2023-04-06
Release date:2024-03-13
Method:X-RAY DIFFRACTION (1.789 Å)
Cite:XFEL structure of carbonic anhydrase II: a comparative study of XFEL, NMR, X-ray and neutron structures.
Acta Crystallogr D Struct Biol, 80, 2024
5EIJ
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BU of 5eij by Molmil
Carbonic Anhydrase II in complex with Sulfonamide Inhibitor
Descriptor: 1-(3-iodanylphenyl)-3-(4-sulfamoylphenyl)thiourea, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ...
Authors:Lomelino, C.L, Mahon, B.P, McKenna, R.
Deposit date:2015-10-29
Release date:2016-11-09
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Kinetic and X-ray crystallographic investigations on carbonic anhydrase isoforms I, II, IX and XII of a thioureido analog of SLC-0111.
Bioorg. Med. Chem., 24, 2016
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
Descriptor: (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
Authors:Mahon, B.P, McKenna, R, Goldfarb, N.
Deposit date:2014-05-22
Release date:2014-07-16
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.896 Å)
Cite: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
4QK2
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BU of 4qk2 by Molmil
Structural and Catalytic Effects of Proline Substitution and Surface Loop Deletion in the Extended Active Site of Human Carbonic Anhydrase II - E234P
Descriptor: Carbonic anhydrase 2, GLYCEROL, ZINC ION
Authors:Boone, C.D, Rasi, V, McKenna, R.
Deposit date:2014-06-05
Release date:2015-03-04
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.519 Å)
Cite: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
Descriptor: CHOLIC ACID, Carbonic anhydrase 2, MAGNESIUM ION, ...
Authors:Boone, C.D, Habibzadegan, A, McKenna, R.
Deposit date:2014-03-25
Release date:2015-06-10
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (1.851 Å)
Cite:Crystal structure of a highly thermal stabilized variant of Human Carbonic Anhydrase II
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
Descriptor: Carbonic anhydrase 2, ZINC ION
Authors:Boone, C.D, Rasi, V, McKenna, R.
Deposit date:2014-06-05
Release date:2015-03-04
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.599 Å)
Cite: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
4QK3
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BU of 4qk3 by Molmil
Structural and Catalytic Effects of Proline Substitution and Surface Loop Deletion in the Extended Active Site of Human Carbonic Anhydrase II - [delta]230-240
Descriptor: Carbonic anhydrase 2, ZINC ION
Authors:Boone, C.D, Rasi, V, McKenna, R.
Deposit date:2014-06-05
Release date:2015-03-04
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.345 Å)
Cite: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
Descriptor: (6S)-2,6-anhydro-6-{[(3R)-3-(sulfamoyloxy)pyrrolidin-1-yl]sulfonyl}-D-glucitol, Carbonic anhydrase 2, GLYCEROL, ...
Authors:Mahon, B.P, McKenna, R.
Deposit date:2014-08-20
Release date:2014-10-15
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Structural Insights into Carbonic Anhydrase IX Isoform Specificity of Carbohydrate-Based Sulfamates.
J.Med.Chem., 57, 2014

226707

數據於2024-10-30公開中

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