4MWO
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![BU of 4mwo by Molmil](/molmil-images/mine/4mwo) | Crystal structure of human mitochondrial 5'(3')-deoxyribonucleotidase in complex with the inhibitor CPB-T | 分子名称: | 1-{3,5-O-[(4-carboxyphenyl)(phosphono)methylidene]-2-deoxy-beta-D-threo-pentofuranosyl}-5-methylpyrimidine-2,4(1H,3H)-dione, 5'(3')-deoxyribonucleotidase, mitochondrial, ... | 著者 | Pachl, P, Rezacova, P, Brynda, J. | 登録日 | 2013-09-25 | 公開日 | 2014-09-10 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.67 Å) | 主引用文献 | Conformationally constrained nucleoside phosphonic acids - potent inhibitors of human mitochondrial and cytosolic 5'(3')-nucleotidases. Org.Biomol.Chem., 12, 2014
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6G01
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4U7Q
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![BU of 4u7q by Molmil](/molmil-images/mine/4u7q) | Structure of wild-type HIV protease in complex with photosensitive inhibitor PDI-6 | 分子名称: | N~2~-({[7-(diethylamino)-2-oxo-2H-chromen-4-yl]methoxy}carbonyl)-N-[(2S,4S,5S)-4-hydroxy-1,6-diphenyl-5-{[(1,3-thiazol-5-ylmethoxy)carbonyl]amino}hexan-2-yl]-L-valinamide, V-1 protease | 著者 | Pachl, P, Rezacova, P, Schimer, J. | 登録日 | 2014-07-31 | 公開日 | 2015-03-25 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Triggering HIV polyprotein processing by light using rapid photodegradation of a tight-binding protease inhibitor. Nat Commun, 6, 2015
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4U7V
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![BU of 4u7v by Molmil](/molmil-images/mine/4u7v) | Structure of wild-type HIV protease in complex with degraded photosensitive inhibitor | 分子名称: | BETA-MERCAPTOETHANOL, N-[(2S,4S,5S)-4-hydroxy-1,6-diphenyl-5-{[(1,3-thiazol-5-ylmethoxy)carbonyl]amino}hexan-2-yl]-L-valinamide, V-1 protease | 著者 | Pachl, P, Rezacova, P, Schimer, J. | 登録日 | 2014-07-31 | 公開日 | 2015-03-25 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.38 Å) | 主引用文献 | Triggering HIV polyprotein processing by light using rapid photodegradation of a tight-binding protease inhibitor. Nat Commun, 6, 2015
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8R7Y
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![BU of 8r7y by Molmil](/molmil-images/mine/8r7y) | Deoxyribonucleoside regulator DeoR in complex with the DNA operator | 分子名称: | Deoxyribonucleoside regulator, OL18 DNA operator, strand 1, ... | 著者 | Pachl, P, Soltysova, M, Rezacova, P. | 登録日 | 2023-11-27 | 公開日 | 2024-06-19 | 最終更新日 | 2024-07-17 | 実験手法 | X-RAY DIFFRACTION (3.7 Å) | 主引用文献 | Structural characterization of two prototypical repressors of SorC family reveals tetrameric assemblies on DNA and mechanism of function. Nucleic Acids Res., 52, 2024
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4L6C
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![BU of 4l6c by Molmil](/molmil-images/mine/4l6c) | Crystal structure of human mitochondrial deoxyribonucleotidase in complex with the inhibitor pib-t | 分子名称: | 1,2-ETHANEDIOL, 1-{2-deoxy-3,5-O-[(4-iodophenyl)(phosphono)methylidene]-beta-D-threo-pentofuranosyl}-5-methylpyrimidine-2,4(1H,3H)-dione, 5'(3')-deoxyribonucleotidase, ... | 著者 | Pachl, P, Brynda, J, Rezacova, P. | 登録日 | 2013-06-12 | 公開日 | 2014-09-10 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Conformationally constrained nucleoside phosphonic acids - potent inhibitors of human mitochondrial and cytosolic 5'(3')-nucleotidases. Org.Biomol.Chem., 12, 2014
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4L57
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![BU of 4l57 by Molmil](/molmil-images/mine/4l57) | High resolutin structure of human cytosolic 5'(3')-deoxyribonucleotidase | 分子名称: | 5'(3')-deoxyribonucleotidase, cytosolic type, GLYCEROL, ... | 著者 | Pachl, P, Brynda, J, Rezacova, P. | 登録日 | 2013-06-10 | 公開日 | 2014-02-12 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.08 Å) | 主引用文献 | Structures of human cytosolic and mitochondrial nucleotidases: implications for structure-based design of selective inhibitors. Acta Crystallogr. D Biol. Crystallogr., 70, 2014
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4L6A
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![BU of 4l6a by Molmil](/molmil-images/mine/4l6a) | Structure of human mitochondrial 5'(3')-deoxyribonucleotidase | 分子名称: | 5'(3')-deoxyribonucleotidase, mitochondrial, DI(HYDROXYETHYL)ETHER, ... | 著者 | Pachl, P, Brynda, J, Rezacova, P. | 登録日 | 2013-06-12 | 公開日 | 2014-02-12 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | Structures of human cytosolic and mitochondrial nucleotidases: implications for structure-based design of selective inhibitors. Acta Crystallogr. D Biol. Crystallogr., 70, 2014
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4YIH
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![BU of 4yih by Molmil](/molmil-images/mine/4yih) | Crystal structure of human cytosolic 5'(3')-deoxyribonucleotidase in complex with the inhibitor PB-PVU | 分子名称: | 1-{2-deoxy-3,5-O-[phenyl(phosphono)methylidene]-beta-D-threo-pentofuranosyl}-5-[(E)-2-phosphonoethenyl]pyrimidine-2,4(1H,3H)-dione, 5'(3')-deoxyribonucleotidase, cytosolic type, ... | 著者 | Pachl, P, Rezacova, P, Brynda, J. | 登録日 | 2015-03-02 | 公開日 | 2015-09-09 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.82 Å) | 主引用文献 | Structure-based design of a bisphosphonate 5'(3')-deoxyribonucleotidase inhibitor Medchemcomm, 6, 2015
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4YIK
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![BU of 4yik by Molmil](/molmil-images/mine/4yik) | Crystal structure of human cytosolic 5'(3')-deoxyribonucleotidase in complex with the inhibitor PB-PVU | 分子名称: | 1-{2-deoxy-3,5-O-[phenyl(phosphono)methylidene]-beta-D-threo-pentofuranosyl}-5-[(E)-2-phosphonoethenyl]pyrimidine-2,4(1H,3H)-dione, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5'(3')-deoxyribonucleotidase, ... | 著者 | Pachl, P, Rezacova, P, Brynda, J. | 登録日 | 2015-03-02 | 公開日 | 2015-09-09 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.483 Å) | 主引用文献 | Structure-based design of a bisphosphonate 5'(3')-deoxyribonucleotidase inhibitor Medchemcomm, 6, 2015
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6GSZ
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![BU of 6gsz by Molmil](/molmil-images/mine/6gsz) | Crystal structure of native alfa-L-rhamnosidase from Aspergillus terreus | 分子名称: | (2R,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL, 1,2-ETHANEDIOL, 2-(2-METHOXYETHOXY)ETHANOL, ... | 著者 | Pachl, P, Rezacova, P, Skerlova, J. | 登録日 | 2018-06-15 | 公開日 | 2018-11-14 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (1.38 Å) | 主引用文献 | Crystal structure of native alpha-L-rhamnosidase from Aspergillus terreus. Acta Crystallogr D Struct Biol, 74, 2018
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4NFL
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![BU of 4nfl by Molmil](/molmil-images/mine/4nfl) | Crystal structure of human mitochondrial 5'(3')-deoxyribonucleotidase in complex with the inhibitor NPB-T | 分子名称: | 1-{2-deoxy-3,5-O-[(4-nitrophenyl)(phosphono)methylidene]-beta-D-threo-pentofuranosyl}-5-methylpyrimidine-2,4(1H,3H)-dione, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5'(3')-deoxyribonucleotidase, ... | 著者 | Pachl, P, Rezacova, P, Brynda, J. | 登録日 | 2013-10-31 | 公開日 | 2014-09-10 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.375 Å) | 主引用文献 | Conformationally constrained nucleoside phosphonic acids - potent inhibitors of human mitochondrial and cytosolic 5'(3')-nucleotidases. Org.Biomol.Chem., 12, 2014
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6I1A
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![BU of 6i1a by Molmil](/molmil-images/mine/6i1a) | Crystal structure of rutinosidase from Aspergillus niger | 分子名称: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, rutinosidase | 著者 | Pachl, P, Rezacova, P, Kapesova, J. | 登録日 | 2018-10-28 | 公開日 | 2020-01-29 | 最終更新日 | 2020-08-12 | 実験手法 | X-RAY DIFFRACTION (1.27 Å) | 主引用文献 | Rutinosidase from Aspergillus niger: crystal structure and insight into the enzymatic activity. Febs J., 287, 2020
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4MUM
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6G02
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![BU of 6g02 by Molmil](/molmil-images/mine/6g02) | Complex of neuraminidase from H1N1 influenza virus with tamiphosphor omega-azidohexyl ester | 分子名称: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 6-[[(3~{R},4~{R},5~{S})-4-acetamido-5-azanyl-3-pentan-3-yloxy-cyclohexen-1-yl]-oxidanyl-phosphoryl]oxyhexylimino-azanylidene-azanium, ... | 著者 | Pachl, P, Pokorna, J. | 登録日 | 2018-03-15 | 公開日 | 2019-01-23 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (1.84 Å) | 主引用文献 | DNA-linked inhibitor antibody assay (DIANA) as a new method for screening influenza neuraminidase inhibitors. Biochem. J., 475, 2018
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6HP0
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![BU of 6hp0 by Molmil](/molmil-images/mine/6hp0) | Complex of Neuraminidase from H1N1 Influenza Virus in Complex with Oseltamivir Triazol Derivative | 分子名称: | (3~{R},4~{R},5~{S})-4-acetamido-5-[4-(hydroxymethyl)-1,2,3-triazol-1-yl]-3-pentan-3-yloxy-cyclohexene-1-carboxylic acid, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Pachl, P, Pokorna, J. | 登録日 | 2018-09-19 | 公開日 | 2019-09-11 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.88 Å) | 主引用文献 | Investigation of flexibility of neuraminidase 150-loop using tamiflu derivatives in influenza A viruses H1N1 and H5N1. Bioorg.Med.Chem., 27, 2019
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6G2M
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![BU of 6g2m by Molmil](/molmil-images/mine/6g2m) | Crystal structure of human mitochondrial 5'(3')-deoxyribonucleotidase in complex with the inhibitor PB-PAU | 分子名称: | 1,2-ETHANEDIOL, 5'(3')-deoxyribonucleotidase, mitochondrial, ... | 著者 | Pachl, P, Rezacova, P, Brynda, J. | 登録日 | 2018-03-23 | 公開日 | 2018-07-11 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.37 Å) | 主引用文献 | Structure-based optimization of bisphosphonate nucleoside inhibitors of human 5'(3')-deoxyribonucleotidases Eur.J.Org.Chem., 2018
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6G2L
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6G2N
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6G22
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![BU of 6g22 by Molmil](/molmil-images/mine/6g22) | Crystal structure of human mitochondrial 5'(3')-deoxyribonucleotidase in complex with the inhibitor PB-PEU | 分子名称: | 1-{2-deoxy-3,5-O-[phenyl(phosphono)methylidene]-beta-D-threo-pentofuranosyl}-5-[(E)-2-phosphonoethenyl]pyrimidine-2,4(1H,3H)-dione, 5'(3')-deoxyribonucleotidase, mitochondrial, ... | 著者 | Pachl, P, Rezacova, P, Brynda, J. | 登録日 | 2018-03-22 | 公開日 | 2018-07-11 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Structure-based optimization of bisphosphonate nucleoside inhibitors of human 5'(3')-deoxyribonucleotidases Eur.J.Org.Chem., 2018
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5NWE
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![BU of 5nwe by Molmil](/molmil-images/mine/5nwe) | Complex of H275Y mutant variant of neuraminidase from H1N1 influenza virus with oseltamivir | 分子名称: | (3R,4R,5S)-4-(acetylamino)-5-amino-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Pachl, P, Pokorna, J. | 登録日 | 2017-05-05 | 公開日 | 2018-07-04 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Kinetic, Thermodynamic, and Structural Analysis of Drug Resistance Mutations in Neuraminidase from the 2009 Pandemic Influenza Virus. Viruses, 10, 2018
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5NZF
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![BU of 5nzf by Molmil](/molmil-images/mine/5nzf) | Complex of H275Y/I223V mutant variant of neuraminidase from H1N1 influenza virus with oseltamivir | 分子名称: | (3R,4R,5S)-4-(acetylamino)-5-amino-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Pachl, P, Pokorna, J. | 登録日 | 2017-05-14 | 公開日 | 2018-07-04 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | Kinetic, Thermodynamic, and Structural Analysis of Drug Resistance Mutations in Neuraminidase from the 2009 Pandemic Influenza Virus. Viruses, 10, 2018
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5NZ4
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![BU of 5nz4 by Molmil](/molmil-images/mine/5nz4) | Complex of I223V mutant variant of neuraminidase from H1N1 influenza virus with oseltamivir | 分子名称: | (3R,4R,5S)-4-(acetylamino)-5-amino-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Pachl, P, Pokorna, J, Karlukova, E. | 登録日 | 2017-05-12 | 公開日 | 2018-07-04 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.36 Å) | 主引用文献 | Kinetic, Thermodynamic, and Structural Analysis of Drug Resistance Mutations in Neuraminidase from the 2009 Pandemic Influenza Virus. Viruses, 10, 2018
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5NZN
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![BU of 5nzn by Molmil](/molmil-images/mine/5nzn) | Complex of H275Y/S247N mutant variant of neuraminidase from H1N1 influenza virus with oseltamivir | 分子名称: | (3R,4R,5S)-4-(acetylamino)-5-amino-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Pachl, P, Pokorna, J. | 登録日 | 2017-05-14 | 公開日 | 2018-07-04 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.73 Å) | 主引用文献 | Kinetic, Thermodynamic, and Structural Analysis of Drug Resistance Mutations in Neuraminidase from the 2009 Pandemic Influenza Virus. Viruses, 10, 2018
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5NZE
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![BU of 5nze by Molmil](/molmil-images/mine/5nze) | Complex of S247N mutant variant of neuraminidase from H1N1 influenza virus with oseltamivir | 分子名称: | (3R,4R,5S)-4-(acetylamino)-5-amino-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Pachl, P, Pokorna, J, Hejdanek, J. | 登録日 | 2017-05-13 | 公開日 | 2018-07-04 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.69 Å) | 主引用文献 | Kinetic, Thermodynamic, and Structural Analysis of Drug Resistance Mutations in Neuraminidase from the 2009 Pandemic Influenza Virus. Viruses, 10, 2018
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