3G60
 
 | | Structure of P-glycoprotein Reveals a Molecular Basis for Poly-Specific Drug Binding | | 分子名称: | (4R,11R,18R)-4,11,18-tri(propan-2-yl)-6,13,20-triselena-3,10,17,22,23,24-hexaazatetracyclo[17.2.1.1~5,8~.1~12,15~]tetracosa-1(21),5(24),7,12(23),14,19(22)-hexaene-2,9,16-trione, Multidrug resistance protein 1a | | 著者 | Aller, S.G, Yu, J, Ward, A, Weng, Y, Chittaboina, S, Zhuo, R, Harrell, P.M, Trinh, Y.T, Zhang, Q, Urbatsch, I.L, Chang, G. | | 登録日 | 2009-02-05 | | 公開日 | 2009-03-24 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (4.4 Å) | | 主引用文献 | Structure of P-glycoprotein reveals a molecular basis for poly-specific drug binding.
Science, 323, 2009
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1G46
 | | CARBONIC ANHYDRASE II (F131V) COMPLEXED WITH 4-(AMINOSULFONYL)-N-[(2,3-DIFLUOROPHENYL)METHYL]-BENZAMIDE | | 分子名称: | CARBONIC ANHYDRASE II, MERCURY (II) ION, N-(2,3-DIFLUORO-BENZYL)-4-SULFAMOYL-BENZAMIDE, ... | | 著者 | Kim, C.-Y, Chang, J.S, Doyon, J.B, Baird Jr, T.T, Fierke, C.A, Jain, A, Christianson, D.W. | | 登録日 | 2000-10-26 | | 公開日 | 2000-11-08 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.84 Å) | | 主引用文献 | Contribution of Flourine to Protein-ligand Affinity in the Binding of Flouroaromatic Inhibitors to Carbonic Anhydrase II
J.Am.Chem.Soc., 122, 2000
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7NZS
 | | Crystal structure of chimeric carbonic anhydrase VA with 2,3,5,6-tetrafluoro-4-(propylsulfanyl)benzenesulfonamide | | 分子名称: | 2,3,5,6-tetrafluoro-4-(propylsulfanyl)benzenesulfonamide, BICINE, Carbonic anhydrase 2, ... | | 著者 | Smirnov, A, Manakova, E, Grazulis, S. | | 登録日 | 2021-03-24 | | 公開日 | 2022-04-13 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Crystal structure of chimeric carbonic anhydrase VA
To Be Published
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6RNP
 | | Human Carbonic Anhydrase II in complex with fluorinated benzenesulfonamide | | 分子名称: | (4-CARBOXYPHENYL)(CHLORO)MERCURY, 2,5-bis(fluoranyl)benzenesulfonamide, Carbonic anhydrase 2, ... | | 著者 | Gloeckner, S, Heine, A, Klebe, G. | | 登録日 | 2019-05-09 | | 公開日 | 2020-04-15 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.07 Å) | | 主引用文献 | The Influence of Varying Fluorination Patterns on the Thermodynamics and Kinetics of Benzenesulfonamide Binding to Human Carbonic Anhydrase II.
Biomolecules, 10, 2020
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7RBM
 | | Human DNA polymerase beta crosslinked complex, 60 s Ca to Mn exchange | | 分子名称: | 2-deoxy-3,5-di-O-phosphono-D-erythro-pentitol, DNA (5'-D(*CP*CP*GP*AP*CP*GP*GP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), DNA (5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*CP*C)-3'), ... | | 著者 | Kumar, A. | | 登録日 | 2021-07-06 | | 公開日 | 2022-03-09 | | 最終更新日 | 2024-11-13 | | 実験手法 | X-RAY DIFFRACTION (2.21 Å) | | 主引用文献 | Interlocking activities of DNA polymerase beta in the base excision repair pathway.
Proc.Natl.Acad.Sci.USA, 119, 2022
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1G4U
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7RBH
 | | Human DNA polymerase beta crosslinked ternary complex 2 | | 分子名称: | 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, 2-deoxy-3,5-di-O-phosphono-D-erythro-pentitol, CALCIUM ION, ... | | 著者 | Kumar, A. | | 登録日 | 2021-07-06 | | 公開日 | 2022-03-09 | | 最終更新日 | 2024-11-13 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | Interlocking activities of DNA polymerase beta in the base excision repair pathway.
Proc.Natl.Acad.Sci.USA, 119, 2022
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7NZX
 | | Crystal structure of chimeric carbonic anhydrase VA with 2,3,5,6-tetrafluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide | | 分子名称: | 2,3,5,6-tetrafluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide, BICINE, Carbonic anhydrase 2, ... | | 著者 | Smirnov, A, Manakova, E, Grazulis, S. | | 登録日 | 2021-03-24 | | 公開日 | 2022-04-13 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.33 Å) | | 主引用文献 | Crystal structure of chimeric carbonic anhydrase VA
To Be Published
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7RBL
 | | Human DNA polymerase beta crosslinked complex, 60 s Ca to Mg exchange | | 分子名称: | 2-deoxy-3,5-di-O-phosphono-D-erythro-pentitol, DNA (5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*CP*C)-3'), DNA (5'-D(*GP*TP*CP*GP*G)-3'), ... | | 著者 | Kumar, A. | | 登録日 | 2021-07-06 | | 公開日 | 2022-03-09 | | 最終更新日 | 2024-10-30 | | 実験手法 | X-RAY DIFFRACTION (1.98 Å) | | 主引用文献 | Interlocking activities of DNA polymerase beta in the base excision repair pathway.
Proc.Natl.Acad.Sci.USA, 119, 2022
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4QUO
 | | Crystal structure of Aminopeptidase N in complex with the phosphinic dipeptide analogue LL-(R,S)-hPheP[CH2]Phe(3-CH2NH2) | | 分子名称: | (2S)-2-[3-(aminomethyl)benzyl]-3-[(R)-[(1R)-1-amino-3-phenylpropyl](hydroxy)phosphoryl]propanoic acid, Aminopeptidase N, GLYCEROL, ... | | 著者 | Nocek, B, Mulligan, R, Joachimiak, A, Vassiliou, S, Berlicki, L, Mucha, A. | | 登録日 | 2014-07-11 | | 公開日 | 2014-09-10 | | 最終更新日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | Structure-guided, single-point modifications in the phosphinic dipeptide structure yield highly potent and selective inhibitors of neutral aminopeptidases.
J.Med.Chem., 57, 2014
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7RYC
 | | Oxytocin receptor (OTR) bound to oxytocin in complex with a heterotrimeric Gq protein | | 分子名称: | Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(i) subunit alpha-2,Guanine nucleotide-binding protein G(s) subunit alpha isoforms short, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | | 著者 | Meyerowitz, J.G, Robertson, M.J, Skiniotis, G. | | 登録日 | 2021-08-24 | | 公開日 | 2022-03-09 | | 最終更新日 | 2024-10-09 | | 実験手法 | ELECTRON MICROSCOPY (2.9 Å) | | 主引用文献 | The oxytocin signaling complex reveals a molecular switch for cation dependence.
Nat.Struct.Mol.Biol., 29, 2022
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3RLI
 | | Crystal structure of monoacylglycerol lipase from Bacillus sp. H257 in complex with PMSF | | 分子名称: | (4R)-2-METHYLPENTANE-2,4-DIOL, Thermostable monoacylglycerol lipase, phenylmethanesulfonic acid | | 著者 | Rengachari, S, Bezerra, G.A, Gruber, K, Oberer, M. | | 登録日 | 2011-04-19 | | 公開日 | 2012-05-23 | | 最終更新日 | 2024-11-20 | | 実験手法 | X-RAY DIFFRACTION (1.854 Å) | | 主引用文献 | The structure of monoacylglycerol lipase from Bacillus sp. H257 reveals unexpected conservation of the cap architecture between bacterial and human enzymes.
Biochim.Biophys.Acta, 1821, 2012
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7NZR
 | | Crystal structure of chimeric carbonic anhydrase VA with 2-(cyclooctylamino)-3,5,6-trifluoro-4-[(2-hydroxyethyl)sulfanyl]benzenesulfonamide | | 分子名称: | 2-(cyclooctylamino)-3,5,6-trifluoro-4-[(2-hydroxyethyl)sulfanyl]benzenesulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... | | 著者 | Smirnov, A, Manakova, E, Grazulis, S. | | 登録日 | 2021-03-24 | | 公開日 | 2022-04-13 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.284 Å) | | 主引用文献 | Crystal structure of chimeric carbonic anhydrase VA
To Be Published
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6ZOL
 | | SARS-CoV-2-Nsp1-40S complex, focused on head | | 分子名称: | 18S ribosomal RNA, 40S ribosomal protein S10, 40S ribosomal protein S12, ... | | 著者 | Schubert, K, Karousis, E.D, Jomaa, A, Scaiola, A, Echeverria, B, Gurzeler, L.-A, Leibundgut, M.L, Thiel, V, Muehlemann, O, Ban, N. | | 登録日 | 2020-07-07 | | 公開日 | 2020-07-22 | | 最終更新日 | 2025-07-02 | | 実験手法 | ELECTRON MICROSCOPY (2.8 Å) | | 主引用文献 | SARS-CoV-2 Nsp1 binds the ribosomal mRNA channel to inhibit translation.
Nat.Struct.Mol.Biol., 27, 2020
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4QVF
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6DMU
 | | PI(4,5)P2 bound full-length rbTRPV5 | | 分子名称: | Transient receptor potential cation channel subfamily V member 5, [(2R)-2-octanoyloxy-3-[oxidanyl-[(1R,2R,3S,4R,5R,6S)-2,3,6-tris(oxidanyl)-4,5-diphosphonooxy-cyclohexyl]oxy-phosphoryl]oxy-propyl] octanoate | | 著者 | Hughes, T.E.T, Pumroy, R.A, Moiseenkova-Bell, V.Y. | | 登録日 | 2018-06-05 | | 公開日 | 2018-10-24 | | 最終更新日 | 2024-03-13 | | 実験手法 | ELECTRON MICROSCOPY (4 Å) | | 主引用文献 | Structural insights on TRPV5 gating by endogenous modulators.
Nat Commun, 9, 2018
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3MHM
 | | Crystal structure of human carbonic anhydrase isozyme II with 4-{[N-(6-benzylamino-5-nitropyrimidin-4-yl)amino]methyl}benzenesulfonamide | | 分子名称: | 4-({[6-(benzylamino)-5-nitropyrimidin-4-yl]amino}methyl)benzenesulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... | | 著者 | Grazulis, S, Manakova, E, Golovenko, D. | | 登録日 | 2010-04-08 | | 公開日 | 2010-10-20 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | 4-[N-(Substituted 4-pyrimidinyl)amino]benzenesulfonamides as inhibitors of carbonic anhydrase isozymes I, II, VII, and XIII
Bioorg.Med.Chem., 18, 2010
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7RBG
 | | Human DNA polymerase beta crosslinked ternary complex 1 | | 分子名称: | 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, 2-deoxy-3,5-di-O-phosphono-D-erythro-pentitol, CALCIUM ION, ... | | 著者 | Reed, A.J, Kumar, A. | | 登録日 | 2021-07-06 | | 公開日 | 2022-03-09 | | 最終更新日 | 2024-11-20 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Interlocking activities of DNA polymerase beta in the base excision repair pathway.
Proc.Natl.Acad.Sci.USA, 119, 2022
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7NZW
 | | Crystal structure of chimeric carbonic anhydrase VA with 4-[(4,6-dimethylpyrimidin-2-yl)thio]-2,3,5,6-tetrafluorobenzenesulfonamide | | 分子名称: | 4-[(4,6-dimethylpyrimidin-2-yl)thio]-2,3,5,6-tetrafluorobenzenesulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... | | 著者 | Smirnov, A, Manakova, E, Grazulis, S. | | 登録日 | 2021-03-24 | | 公開日 | 2022-04-13 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | | 主引用文献 | Crystal structure of chimeric carbonic anhydrase VA
To Be Published
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1G45
 | | CARBONIC ANHYDRASE II (F131V) COMPLEXED WITH 4-(AMINOSULFONYL)-N-[(2-FLUOROPHENYL)METHYL]-BENZAMIDE | | 分子名称: | CARBONIC ANHYDRASE II, MERCURY (II) ION, N-(2-FLUORO-BENZYL)-4-SULFAMOYL-BENZAMIDE, ... | | 著者 | Kim, C.-Y, Chang, J.S, Doyon, J.B, Baird Jr, T.T, Fierke, C.A, Jain, A, Christianson, D.W. | | 登録日 | 2000-10-26 | | 公開日 | 2000-11-08 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.83 Å) | | 主引用文献 | Contribution of Flourine to Protein-ligand Affinity in the Binding of Flouroaromatic Inhibitors to Carbonic Anhydrase II
J.Am.Chem.Soc., 122, 2000
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7RBK
 | | Human DNA polymerase beta crosslinked complex, 40 s Ca to Mg exchange | | 分子名称: | 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, 2-deoxy-3,5-di-O-phosphono-D-erythro-pentitol, DNA (5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*CP*C)-3'), ... | | 著者 | Kumar, A. | | 登録日 | 2021-07-06 | | 公開日 | 2022-03-09 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Interlocking activities of DNA polymerase beta in the base excision repair pathway.
Proc.Natl.Acad.Sci.USA, 119, 2022
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1G4J
 | | CARBONIC ANHYDRASE II (F131V) COMPLEXED WITH 4-(AMINOSULFONYL)-N-[(2,3,4,5,6-PENTAFLUOROPHENYL)METHYL]-BENZAMIDE | | 分子名称: | CARBONIC ANHYDRASE II, MERCURY (II) ION, N-(2,3,4,5,6-PENTAFLUORO-BENZYL)-4-SULFAMOYL-BENZAMIDE, ... | | 著者 | Kim, C.-Y, Chang, J.S, Doyon, J.B, Baird Jr, T.T, Fierke, C.A, Jain, A, Christianson, D.W. | | 登録日 | 2000-10-27 | | 公開日 | 2000-11-08 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.84 Å) | | 主引用文献 | Contribution of Flourine to Protein-ligand Affinity in the Binding of Flouroaromatic Inhibitors to Carbonic Anhydrase II
J.Am.Chem.Soc., 122, 2000
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4R5B
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2ACU
 | | TYROSINE-48 IS THE PROTON DONOR AND HISTIDINE-110 DIRECTS SUBSTRATE STEREOCHEMICAL SELECTIVITY IN THE REDUCTION REACTION OF HUMAN ALDOSE REDUCTASE: ENZYME KINETICS AND THE CRYSTAL STRUCTURE OF THE Y48H MUTANT ENZYME | | 分子名称: | ALDOSE REDUCTASE, CITRIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | 著者 | Bohren, K.M, Grimshaw, C.E, Lai, C.-J, Gabbay, K.H, Petsko, G.A, Harrison, D.H, Ringe, D. | | 登録日 | 1994-04-15 | | 公開日 | 1994-07-31 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (1.76 Å) | | 主引用文献 | Tyrosine-48 is the proton donor and histidine-110 directs substrate stereochemical selectivity in the reduction reaction of human aldose reductase: enzyme kinetics and crystal structure of the Y48H mutant enzyme.
Biochemistry, 33, 1994
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3R60
 | | Structure of the MntR Fe2+ Complex | | 分子名称: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, FE (II) ION, S-1,2-PROPANEDIOL, ... | | 著者 | Glasfeld, A, Brophy, M.B, Kliegman, J.I, Griner, S.L, Nix, J.C. | | 登録日 | 2011-03-20 | | 公開日 | 2012-04-11 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Roles of the A and C Sites in the Manganese-Specific Activation of MntR.
Biochemistry, 52, 2013
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