6YI7
 
 | | Structure of cathepsin B1 from Schistosoma mansoni (SmCB1) in complex with an azanitrile inhibitor | | 分子名称: | 1-[(2~{S})-1-[[iminomethyl(methyl)amino]-methyl-amino]-4-methyl-1-oxidanylidene-pentan-2-yl]-3-(phenylmethyl)urea, ACETATE ION, Cathepsin B-like peptidase (C01 family) | | 著者 | Jilkova, A, Rezacova, P, Pachl, P, Fanfrlik, J, Rubesova, P, Guetschow, M, Mares, M. | | 登録日 | 2020-04-01 | | 公開日 | 2020-12-16 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.29 Å) | | 主引用文献 | Azanitrile Inhibitors of the SmCB1 Protease Target Are Lethal to Schistosoma mansoni : Structural and Mechanistic Insights into Chemotype Reactivity.
Acs Infect Dis., 7, 2021
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8C25
 | | purine nucleoside phosphorylase in complex with JS-375 | | 分子名称: | CHLORIDE ION, GLYCEROL, Purine nucleoside phosphorylase, ... | | 著者 | Djukic, S, Pachl, P, Rezacova, P. | | 登録日 | 2022-12-21 | | 公開日 | 2023-05-31 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.56 Å) | | 主引用文献 | Design, Synthesis, Biological Evaluation, and Crystallographic Study of Novel Purine Nucleoside Phosphorylase Inhibitors.
J.Med.Chem., 66, 2023
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7ACK
 | | CDK2/cyclin A2 in complex with an imidazo[1,2-c]pyrimidin-5-one inhibitor | | 分子名称: | 1,2-ETHANEDIOL, 8-cyclohexyl-6~{H}-imidazo[1,2-c]pyrimidin-5-one, Cyclin-A2, ... | | 著者 | Skerlova, J, Pachl, P, Rezacova, P. | | 登録日 | 2020-09-11 | | 公開日 | 2021-03-24 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Imidazo[1,2-c]pyrimidin-5(6H)-one inhibitors of CDK2: Synthesis, kinase inhibition and co-crystal structure.
Eur.J.Med.Chem., 216, 2021
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6SYI
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5K7Y
 | | Crystal structure of enzyme in purine metabolism | | 分子名称: | Cytosolic purine 5'-nucleotidase, GLYCEROL | | 著者 | Skerlova, J, Hnizda, A, Pachl, P, Rezacova, P. | | 登録日 | 2016-05-27 | | 公開日 | 2016-09-21 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.79 Å) | | 主引用文献 | Oligomeric interface modulation causes misregulation of purine 5 -nucleotidase in relapsed leukemia.
Bmc Biol., 14, 2016
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5F09
 | | Structure of inactive GCPII mutant in complex with beta-citryl glutamate | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | 著者 | Tykvart, J, Navratil, M, Pachl, P, Konvalinka, J. | | 登録日 | 2015-11-27 | | 公開日 | 2016-06-01 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Comparison of human glutamate carboxypeptidases II and III reveals their divergent substrate specificities.
Febs J., 283, 2016
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6IAH
 | | Phosphatase Tt82 from Thermococcus thioreducens | | 分子名称: | CHLORIDE ION, Hydrolase, MAGNESIUM ION | | 著者 | Havlickova, P, Brinsa, V, Brynda, J, Pachl, P, Prudnikova, T, Mesters, J.R, Kascakova, B, Kuty, M, Pusey, M.L, Ng, J.D, Rezacova, P, Smatanova, I.K. | | 登録日 | 2018-11-26 | | 公開日 | 2019-08-14 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | A novel structurally characterized haloacid dehalogenase superfamily phosphatase from Thermococcus thioreducens with diverse substrate specificity.
Acta Crystallogr D Struct Biol, 75, 2019
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3TNE
 | | The crystal structure of protease Sapp1p from Candida parapsilosis in complex with the HIV protease inhibitor ritonavir | | 分子名称: | RITONAVIR, Secreted aspartic protease | | 著者 | Dostal, J, Brynda, J, Hruskova-Heidingsfeldova, O, Pachl, P, Pichova, I, Rezacova, P. | | 登録日 | 2011-09-01 | | 公開日 | 2012-03-07 | | 最終更新日 | 2012-12-12 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | The crystal structure of protease Sapp1p from Candida parapsilosis in complex with the HIV protease inhibitor ritonavir.
J Enzyme Inhib Med Chem, 27, 2012
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6I1M
 | | Secreted type 1 cystatin from Fasciola hepatica | | 分子名称: | Cystatin, IODIDE ION | | 著者 | Busa, M, Rezacova, P, Pachl, P, Stefanic, S, Mares, M. | | 登録日 | 2018-10-29 | | 公開日 | 2020-08-26 | | 最終更新日 | 2023-03-29 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | An evolutionary molecular adaptation of an unusual stefin from the liver fluke Fasciola hepatica redefines the cystatin superfamily.
J.Biol.Chem., 299, 2023
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5I67
 | | Crystal Structure Analysis of MTB PEPCK mutant C273S | | 分子名称: | DI(HYDROXYETHYL)ETHER, GUANOSINE-5'-DIPHOSPHATE, MANGANESE (II) ION, ... | | 著者 | Dostal, J, Pachl, P, Machova, I, Pichova, I, Snasel, J. | | 登録日 | 2016-02-16 | | 公開日 | 2016-04-06 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.602 Å) | | 主引用文献 | Crystal Structure Analysis of MTB PEPCK mutant C273S
To Be Published
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5L4Z
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5L50
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7KB0
 | | O-acety-L-homoserine aminocarboxypropyltransferase (MetY) from Thermotoga maritima with pyridoxal-5-phosphate (PLP) bound in the internal aldimine state | | 分子名称: | O-acetyl-L-homoserine sulfhydrylase | | 著者 | Brewster, J.L, Pachl, P, Squire, C, Selmer, M, Patrick, W.M. | | 登録日 | 2020-10-01 | | 公開日 | 2021-06-23 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Structures and kinetics of Thermotoga maritima MetY reveal new insights into the predominant sulfurylation enzyme of bacterial methionine biosynthesis.
J.Biol.Chem., 296, 2021
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7KB1
 | | Complex of O-acety-L-homoserine aminocarboxypropyltransferase (MetY) from Thermotoga maritima and a key reaction intermediate | | 分子名称: | (2E)-2-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)imino]but-3-enoic acid, MAGNESIUM ION, O-acetyl-L-homoserine sulfhydrylase, ... | | 著者 | Brewster, J.L, Pachl, P, Squire, C, Selmer, M, Patrick, W.M. | | 登録日 | 2020-10-01 | | 公開日 | 2021-06-23 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Structures and kinetics of Thermotoga maritima MetY reveal new insights into the predominant sulfurylation enzyme of bacterial methionine biosynthesis.
J.Biol.Chem., 296, 2021
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5MTF
 | | A modular route to novel potent and selective inhibitors of rhomboid intramembrane proteases | | 分子名称: | CHLORIDE ION, Rhomboid protease GlpG, inhibitor, ... | | 著者 | Ticha, A, Stanchev, S, Vinothkumar, K.R, Mikles, D.C, Pachl, P, Svehlova, K, Nguyen, M.T.N, Verhelst, S.H.L, Johnson, D, Bachovchin, D, Lepsik, M, Majer, P, Strisovsky, K. | | 登録日 | 2017-01-09 | | 公開日 | 2017-11-15 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.79 Å) | | 主引用文献 | General and Modular Strategy for Designing Potent, Selective, and Pharmacologically Compliant Inhibitors of Rhomboid Proteases.
Cell Chem Biol, 24, 2017
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7ZSO
 | | human purine nucleoside phosphorylase in complex with JS-554 | | 分子名称: | GLYCEROL, Purine nucleoside phosphorylase, SODIUM ION, ... | | 著者 | Djukic, S, Pachl, P, Rezacova, P. | | 登録日 | 2022-05-07 | | 公開日 | 2023-05-17 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Design, Synthesis, Biological Evaluation, and Crystallographic Study of Novel Purine Nucleoside Phosphorylase Inhibitors.
J.Med.Chem., 66, 2023
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7ZSL
 | | human purine nucleoside phosphorylase in complex with JS-196 | | 分子名称: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Purine nucleoside phosphorylase, ... | | 著者 | Djukic, S, Pachl, P, Rezacova, P. | | 登録日 | 2022-05-07 | | 公開日 | 2023-05-17 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Design, Synthesis, Biological Evaluation, and Crystallographic Study of Novel Purine Nucleoside Phosphorylase Inhibitors.
J.Med.Chem., 66, 2023
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7ZSM
 | | human purine nucleoside phosphorylase in complex with JS-375 | | 分子名称: | CHLORIDE ION, Purine nucleoside phosphorylase, SULFATE ION, ... | | 著者 | Djukic, S, Pachl, P, Rezacova, P. | | 登録日 | 2022-05-07 | | 公開日 | 2023-05-17 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | | 主引用文献 | Design, Synthesis, Biological Evaluation, and Crystallographic Study of Novel Purine Nucleoside Phosphorylase Inhibitors.
J.Med.Chem., 66, 2023
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7ZSQ
 | | human purine nucleoside phosphorylase in complex with JS-555 | | 分子名称: | 1,2-ETHANEDIOL, 6-tungstotellurate(VI), DI(HYDROXYETHYL)ETHER, ... | | 著者 | Djukic, S, Pachl, P, Rezacova, P. | | 登録日 | 2022-05-08 | | 公開日 | 2023-05-17 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.77 Å) | | 主引用文献 | Design, Synthesis, Biological Evaluation, and Crystallographic Study of Novel Purine Nucleoside Phosphorylase Inhibitors.
J.Med.Chem., 66, 2023
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7ZSR
 | | purine nucleoside phosphorylase in complex with JS-379 | | 分子名称: | ACETATE ION, Purine nucleoside phosphorylase, [(~{E})-2-[5-bromanyl-2-[(4-oxidanylidene-3,5-dihydropyrrolo[3,2-d]pyrimidin-7-yl)sulfanyl]phenyl]ethenyl]phosphonic acid | | 著者 | Djukic, S, Pachl, P, Rezacova, P. | | 登録日 | 2022-05-08 | | 公開日 | 2023-05-17 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.97 Å) | | 主引用文献 | Design, Synthesis, Biological Evaluation, and Crystallographic Study of Novel Purine Nucleoside Phosphorylase Inhibitors.
J.Med.Chem., 66, 2023
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7ZSN
 | | human purine nucleoside phosphorylase in complex with JS-379 | | 分子名称: | 6-tungstotellurate(VI), Purine nucleoside phosphorylase, SULFATE ION, ... | | 著者 | Djukic, S, Pachl, P, Rezacova, P. | | 登録日 | 2022-05-07 | | 公開日 | 2023-05-17 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.36 Å) | | 主引用文献 | Design, Synthesis, Biological Evaluation, and Crystallographic Study of Novel Purine Nucleoside Phosphorylase Inhibitors.
J.Med.Chem., 66, 2023
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7ZSP
 | | human purine nucleoside phosphorylase in complex with JS-555 | | 分子名称: | 6-tungstotellurate(VI), Purine nucleoside phosphorylase, SODIUM ION, ... | | 著者 | Djukic, S, Pachl, P, Rezacova, P. | | 登録日 | 2022-05-08 | | 公開日 | 2023-05-17 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.29 Å) | | 主引用文献 | Design, Synthesis, Biological Evaluation, and Crystallographic Study of Novel Purine Nucleoside Phosphorylase Inhibitors.
J.Med.Chem., 66, 2023
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6F9O
 | | Crystal structure of cold-adapted haloalkane dehalogenase DpcA from Psychrobacter cryohalolentis K5 | | 分子名称: | CHLORIDE ION, DI(HYDROXYETHYL)ETHER, Haloalkane dehalogenase, ... | | 著者 | Tratsiak, K, Prudnikova, T, Drienovska, I, Damborsky, J, Brynda, J, Pachl, P, Kuty, M, Chaloupkova, R, Kuta Smatanova, I, Rezacova, P. | | 登録日 | 2017-12-15 | | 公開日 | 2019-02-27 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.05 Å) | | 主引用文献 | Crystal structure of the cold-adapted haloalkane dehalogenase DpcA from Psychrobacter cryohalolentis K5.
Acta Crystallogr.,Sect.F, 75, 2019
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4NGS
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4NGM
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