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PDB: 387 件
5KR2
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Protease PR5-SQV
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, Protease PR5-SQV
著者Liu, Z, Poole, K.M, Mahon, B.P, McKenna, R, Fanucci, G.E.
登録日2016-07-06
公開日2016-09-21
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Effects of Hinge-region Natural Polymorphisms on Human Immunodeficiency Virus-Type 1 Protease Structure, Dynamics, and Drug Pressure Evolution.
J.Biol.Chem., 291, 2016
3E78
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Structure determination of the cancer-associated Mycoplasma hyorhinis protein Mh-p37
分子名称: CALCIUM ION, CHLORIDE ION, High affinity transport system protein p37, ...
著者Sippel, K.H, Robbins, A.H, Reutzel, R, Domsic, J, McKenna, R.
登録日2008-08-18
公開日2008-10-21
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure determination of the cancer-associated Mycoplasma hyorhinis protein Mh-p37.
Acta Crystallogr.,Sect.D, 64, 2008
8DJ9
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Carbonic Anhydrase II in complex with Ibuprofen
分子名称: (2R)-2-[4-(2-methylpropyl)phenyl]propanoic acid, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Carbonic anhydrase 2, ...
著者Combs, J.C, McKenna, R, Andring, J.T.
登録日2022-06-30
公開日2022-11-09
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献Ibuprofen: a weak inhibitor of carbonic anhydrase II.
Acta Crystallogr.,Sect.F, 78, 2022
3E79
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Structure determination of the cancer-associated Mycoplasma hyorhinis protein Mh-p37
分子名称: 5-amino-2,4,6-triiodobenzene-1,3-dicarboxylic acid, CALCIUM ION, CHLORIDE ION, ...
著者Sippel, K.H, Robbins, A.H, Reutzel, R, Domsic, J, McKenna, R.
登録日2008-08-18
公開日2008-10-21
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure determination of the cancer-associated Mycoplasma hyorhinis protein Mh-p37.
Acta Crystallogr.,Sect.D, 64, 2008
3NG9
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Structure to Function Correlations for Adeno-associated Virus Serotype 1
分子名称: 6-AMINOPYRIMIDIN-2(1H)-ONE, ADENINE, Capsid protein
著者Govindasamy, L, Miller, E.B, Gurda, B, McKenna, R, Zolotukhin, S, Muzyczka, N, Agbandje-McKenna, M.
登録日2010-06-11
公開日2011-12-21
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structure to Function Correlations for Adeno-Associated Virus serotype 1
To be Published
5KQZ
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Protease E35D-CaP2
分子名称: N-[(2R)-2-({N~5~-[amino(iminio)methyl]-L-ornithyl-L-valyl}amino)-4-methylpentyl]-L-phenylalanyl-L-alpha-glutamyl-L-alanyl-L-norleucinamide, Protease
著者Liu, Z, Poole, K.M, Mahon, B.P, McKenna, R, Fanucci, G.E.
登録日2016-07-06
公開日2016-09-21
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Effects of Hinge-region Natural Polymorphisms on Human Immunodeficiency Virus-Type 1 Protease Structure, Dynamics, and Drug Pressure Evolution.
J.Biol.Chem., 291, 2016
2HFW
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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
4RSO
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The structure of the neurotropic AAVrh.8 viral vector
分子名称: 2'-DEOXYADENOSINE-5'-MONOPHOSPHATE, CHLORIDE ION, Capsid protein VP1, ...
著者Halder, S, Van Vliet, K, Smith, J.K, McKenna, R, Wilson, J.M, Agbandje-McKenna, M.
登録日2014-11-10
公開日2016-04-13
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Structure of neurotropic adeno-associated virus AAVrh.8.
J.Struct.Biol., 192, 2015
3DCW
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BU of 3dcw by Molmil
Use of Carbonic Anhydrase II, IX Active-Site Mimic, for the Purpose of Screening Inhibitors for Possible Anti-Cancer Properties
分子名称: 6-ethoxy-1,3-benzothiazole-2-sulfonamide, Carbonic anhydrase 2, ZINC ION
著者Genis, C, Sippel, K.H, Case, N, Govindasamy, L, Agbandje-Mckenna, M, Mckenna, R.
登録日2008-06-04
公開日2009-03-03
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Design of a carbonic anhydrase IX active-site mimic to screen inhibitors for possible anticancer properties
Biochemistry, 48, 2009
3DCC
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Use of Carbonic Anhydrase II, IX Active-Site Mimic, for the Purpose of Screening Inhibitors for Possible Anti-Cancer Properties
分子名称: 5-(2-chlorophenyl)-1,3,4-thiadiazole-2-sulfonamide, Carbonic anhydrase 2, ZINC ION
著者Genis, C, Sippel, K.H, Case, N, Govindasamy, L, Agbandje-Mckenna, M, Mckenna, R.
登録日2008-06-03
公開日2009-03-03
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Design of a carbonic anhydrase IX active-site mimic to screen inhibitors for possible anticancer properties
Biochemistry, 48, 2009
3DAZ
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BU of 3daz by Molmil
Use of Carbonic Anhydrase II, IX Active-Site Mimic, for the Purpose of Screening Inhibitors for Possible Anti-Cancer Properties
分子名称: Carbonic anhydrase 2, N-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2(3H)-ylidene)acetamide, ZINC ION
著者Genis, C, Sippel, K.H, Case, N, Govindasamy, L, Agbandje-Mckenna, M, Mckenna, R.
登録日2008-05-30
公開日2009-03-03
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Design of a carbonic anhydrase IX active-site mimic to screen inhibitors for possible anticancer properties
Biochemistry, 48, 2009
3DBU
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Use of Carbonic Anhydrase II, IX Active-Site Mimic, for the Purpose of Screening Inhibitors for Possible Anti-Cancer Properties
分子名称: 5-[(phenylsulfonyl)amino]-1,3,4-thiadiazole-2-sulfonamide, Carbonic anhydrase 2, ZINC ION
著者Genis, C, Sippel, K.H, Case, N, Govindasamy, L, Agbandje-Mckenna, M, Mckenna, R.
登録日2008-06-02
公開日2009-03-03
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Design of a carbonic anhydrase IX active-site mimic to screen inhibitors for possible anticancer properties
Biochemistry, 48, 2009
7SUY
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Carbonic Anhydrase IX-mimic Complexed with 2-((3-Aminopropyl)(phenethyl)amino)-N-(4-fluorobenzyl)-N-(4-sulfamoylphenethyl)acetamide
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Carbonic anhydrase 2, N-[(furan-2-yl)methyl]-N-[2-(4-sulfamoylphenyl)ethyl]glycinamide, ...
著者Combs, J.E, McKenna, R.
登録日2021-11-18
公開日2022-04-06
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.405 Å)
主引用文献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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Carbonic Anhydrase IX-mimic Complexed with 3-((2-((Naphthalen-2-ylmethyl)(4-sulfamoylphenethyl)amino)-2-oxoethyl)(phenethyl)amino)propanoic acid
分子名称: 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, ...
著者Combs, J.E, McKenna, R.
登録日2021-11-18
公開日2022-04-06
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.559 Å)
主引用文献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
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
分子名称: 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, ...
著者Combs, J.E, McKenna, R.
登録日2021-11-18
公開日2022-04-06
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.388 Å)
主引用文献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
分子名称: ADENOSINE MONOPHOSPHATE, DNA chain 1, DNA chain 2, ...
著者Tang, Q, Gulkis, M, McKenna, R, Caglayan, M.
登録日2021-11-22
公開日2022-07-13
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献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
分子名称: ADENOSINE MONOPHOSPHATE, DNA ligase 1, DNA(5'-*GP*CP*TP*GP*AP*TP*GP*CP*GP*TP*A-3'), ...
著者Tang, Q, Gulkis, M, McKenna, R, Caglayan, M.
登録日2021-11-17
公開日2022-07-13
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献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
分子名称: ADENOSINE MONOPHOSPHATE, DNA chain 1, DNA chain 2, ...
著者Tang, Q, Gulkis, M, McKenna, R, Caglayan, M.
登録日2021-11-22
公開日2022-07-13
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structures of LIG1 that engage with mutagenic mismatches inserted by pol beta in base excision repair.
Nat Commun, 13, 2022
5DSK
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Structure of CO2 released holo-form of human carbonic anhydrase II with 3 min warming
分子名称: Carbonic anhydrase 2, GLYCEROL, ZINC ION
著者Kim, C.U, Park, S.Y, McKenna, R.
登録日2015-09-17
公開日2016-05-04
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.3 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
5DSQ
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Structure of CO2 released apo-form of human carbonic anhydrase II with 3 min warming
分子名称: Carbonic anhydrase 2, GLYCEROL
著者Kim, C.U, Park, S.Y, McKenna, R.
登録日2015-09-17
公開日2016-05-04
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.5 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
5DSM
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Structure of CO2 released holo-form of human carbonic anhydrase II with 25 min warming
分子名称: Carbonic anhydrase 2, GLYCEROL, ZINC ION
著者Kim, C.U, Park, S.Y, McKenna, R.
登録日2015-09-17
公開日2016-05-04
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.3 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
5DSR
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Structure of CO2 released apo-form of human carbonic anhydrase II with 10 min warming
分子名称: Carbonic anhydrase 2, GLYCEROL
著者Kim, C.U, Park, S.Y, McKenna, R.
登録日2015-09-17
公開日2016-05-04
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.3 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
8TU1
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BU of 8tu1 by Molmil
The Capsid of Porcine Bocavirus 1
分子名称: VP2
著者Velez, M, Mietzsch, M, McKenna, R.
登録日2023-08-15
公開日2023-08-30
最終更新日2023-10-11
実験手法ELECTRON MICROSCOPY (2.31 Å)
主引用文献Structural Characterization of Canine Minute Virus, Rat and Porcine Bocavirus.
Viruses, 15, 2023
8TU2
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The Capsid of Rat Bocavirus
分子名称: VP2
著者Velez, M, Mietzsch, M, McKenna, R.
登録日2023-08-15
公開日2023-08-30
最終更新日2023-10-11
実験手法ELECTRON MICROSCOPY (2.52 Å)
主引用文献Structural Characterization of Canine Minute Virus, Rat and Porcine Bocavirus.
Viruses, 15, 2023
8TU0
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The Capsid of Canine Minute Virus
分子名称: VP2
著者Velez, M, Mietzsch, M, McKenna, R.
登録日2023-08-15
公開日2023-08-30
最終更新日2023-10-11
実験手法ELECTRON MICROSCOPY (2.72 Å)
主引用文献Structural Characterization of Canine Minute Virus, Rat and Porcine Bocavirus.
Viruses, 15, 2023

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