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PDB: 392 件
8EU6
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BU of 8eu6 by Molmil
Acheta domesticus segmented densovirus high buoyancy fraction 1 (HB1) empty capsid structure
分子名称: Capsid protein
著者Penzes, J.J, McKenna, R, Tijssen, P.
登録日2022-10-18
公開日2022-11-09
最終更新日2024-10-30
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Bipartite genome and structural organization of the parvovirus Acheta domesticus segmented densovirus.
Nat Commun, 14, 2023
8EU5
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BU of 8eu5 by Molmil
Acheta domesticus segmented densovirus high buoyancy fraction 2 empty capsid structure
分子名称: Capsid protein
著者Penzes, J.J, McKenna, R, Tijssen, P.
登録日2022-10-18
公開日2022-11-09
最終更新日2024-06-19
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Structural and molecular biology of Acheta domesticus segmented densovirus, the first parvovirus to harbor a bipartite genome
To Be Published
8EU7
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BU of 8eu7 by Molmil
Acheta domesticus segmented densovirus VP-ORF1 virus-like particle
分子名称: Capsid protein
著者Penzes, J.J, McKenna, R, Tijssen, P.
登録日2022-10-18
公開日2022-11-09
最終更新日2024-02-21
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Bipartite genome and structural organization of the parvovirus Acheta domesticus segmented densovirus.
Nat Commun, 14, 2023
5KQY
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Protease E35D-DRV
分子名称: (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, Protease E35D-DRV
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 (1.65 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
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
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
5KR1
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BU of 5kr1 by Molmil
Protease PR5-DRV
分子名称: (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, Protease PR5-DRV
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 (1.6 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
5KR0
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Protease E35D-APV
分子名称: GLYCEROL, Protease E35D-APV, {3-[(4-AMINO-BENZENESULFONYL)-ISOBUTYL-AMINO]-1-BENZYL-2-HYDROXY-PROPYL}-CARBAMIC ACID TETRAHYDRO-FURAN-3-YL ESTER
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 (1.8 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
5KQX
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BU of 5kqx by Molmil
Protease E35D-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 E35D-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 (2.4 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
5KR2
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BU of 5kr2 by Molmil
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
5SZ0
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BU of 5sz0 by Molmil
Carbonic anhydrase II in complex with 4-(phenyl)-benzenesulfonamide
分子名称: 4-(phenyl)-benzenesulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ...
著者Bhatt, A, Mahon, B.P, Cornelio, B, McKenna, R.
登録日2016-08-12
公開日2016-12-21
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Structure-Activity Relationships of Benzenesulfonamide-Based Inhibitors towards Carbonic Anhydrase Isoform Specificity.
Chembiochem, 18, 2017
5SZ5
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BU of 5sz5 by Molmil
Carbonic anhydrase IX-mimic in complex with 4-(2-methylphenyl)-benzenesulfonamide
分子名称: 4-(2-methylphenyl)-benzenesulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ...
著者Bhatt, A, Mahon, B.P, Cornelio, B, McKenna, R.
登録日2016-08-12
公開日2016-12-28
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.274 Å)
主引用文献Structure-Activity Relationships of Benzenesulfonamide-Based Inhibitors towards Carbonic Anhydrase Isoform Specificity.
Chembiochem, 18, 2017
5SZ1
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BU of 5sz1 by Molmil
Carbonic anhydrase II in complex with 4-(2-methylphenyl)-benzenesulfonamide
分子名称: 4-(2-methylphenyl)-benzenesulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ...
著者Bhatt, A, Mahon, B.P, Cornelio, B, McKenna, R.
登録日2016-08-12
公開日2016-12-21
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Structure-Activity Relationships of Benzenesulfonamide-Based Inhibitors towards Carbonic Anhydrase Isoform Specificity.
Chembiochem, 18, 2017
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
7SX5
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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
5T84
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BU of 5t84 by Molmil
HIV-1 protease, unbound subtype B L63P construct
分子名称: Protease
著者Liu, Z, Norell, J, Mahon, B, Poole, K, McKenna, R, Fanucci, G.
登録日2016-09-06
公開日2017-09-20
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Single mutation, L63P, capable of shutting down the flaps of HIV-1 protease
To Be Published
5SZ6
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BU of 5sz6 by Molmil
Carbonic anhydrase IX-mimic in complex with 4-(3-formylphenyl)-benzenesulfonamide
分子名称: 4-(3-formylphenyl)-benzenesulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ...
著者Bhatt, A, Mahon, B.P, Cornelio, B, McKenna, R.
登録日2016-08-12
公開日2016-12-28
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献Structure-Activity Relationships of Benzenesulfonamide-Based Inhibitors towards Carbonic Anhydrase Isoform Specificity.
Chembiochem, 18, 2017
5SZ3
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BU of 5sz3 by Molmil
Carbonic anhydrase II in complex with 4-(3-quinolinyl)-benzenesulfonamide
分子名称: 4-(3-quinolinyl)-benzenesulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ...
著者Bhatt, A, Mahon, B.P, Cornelio, B, McKenna, R.
登録日2016-08-12
公開日2016-12-21
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.689 Å)
主引用文献Structure-Activity Relationships of Benzenesulfonamide-Based Inhibitors towards Carbonic Anhydrase Isoform Specificity.
Chembiochem, 18, 2017
5SZ2
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BU of 5sz2 by Molmil
Carbonic anhydrase II in complex with 4-(3-formylphenyl)-benzenesulfonamide
分子名称: 4-(3-formylphenyl)-benzenesulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ...
著者Bhatt, A, Mahon, B.P, Cornelio, B, McKenna, R.
登録日2016-08-12
公開日2016-12-21
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Structure-Activity Relationships of Benzenesulfonamide-Based Inhibitors towards Carbonic Anhydrase Isoform Specificity.
Chembiochem, 18, 2017
5SZ7
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BU of 5sz7 by Molmil
Carbonic anhydrase IX-mimic in complex with 4-(3-quinolinyl)-benzenesulfonamide
分子名称: 4-(3-quinolinyl)-benzenesulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ...
著者Bhatt, A, Mahon, B.P, Cornelio, B, McKenna, R.
登録日2016-08-12
公開日2016-12-21
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.776 Å)
主引用文献Structure-Activity Relationships of Benzenesulfonamide-Based Inhibitors towards Carbonic Anhydrase Isoform Specificity.
Chembiochem, 18, 2017
5SZ4
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BU of 5sz4 by Molmil
Carbonic anhydrase IX-mimic in complex with 4-(phenyl)-benzenesulfonamide
分子名称: 4-(phenyl)-benzenesulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ...
著者Bhatt, A, Mahon, B.P, Cornelio, B, McKenna, R.
登録日2016-08-12
公開日2016-12-21
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structure-Activity Relationships of Benzenesulfonamide-Based Inhibitors towards Carbonic Anhydrase Isoform Specificity.
Chembiochem, 18, 2017
6PDV
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BU of 6pdv by Molmil
Cu-Carbonic Anhydrase II, A Nitrite Reductase
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, COPPER (II) ION, Carbonic anhydrase 2, ...
著者Andring, J.T, McKenna, R.
登録日2019-06-19
公開日2020-03-11
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.23 Å)
主引用文献Structure and mechanism of copper-carbonic anhydrase II: a nitrite reductase.
Iucrj, 7, 2020
6VB4
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BU of 6vb4 by Molmil
HLA-B*15:02 complexed with a synthetic peptide
分子名称: 1,2-ETHANEDIOL, ACETATE ION, Beta-2-microglobulin, ...
著者Schutte, R.J, Li, D, Andring, J, McKenna, R, Ostrov, D.A.
登録日2019-12-18
公開日2020-11-25
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.334 Å)
主引用文献HLA-B*15:02 complexed with a synthetic peptide
To Be Published

227561

件を2024-11-20に公開中

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