1CE4
 
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2MBD
 | | Lasiocepsin | | 分子名称: | lasiocepsin | | 著者 | Monincova, L, Budesinsky, M, Cujova, S, Cerovsky, V, Veverka, V. | | 登録日 | 2013-07-30 | | 公開日 | 2014-01-15 | | 最終更新日 | 2014-01-29 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Structural basis for antimicrobial activity of lasiocepsin.
Chembiochem, 15, 2014
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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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7OB3
 | | hSTING in complex with 3',3'-c-di-araAMP | | 分子名称: | 3',3'-c-di-araAMP, Stimulator of interferon genes protein | | 著者 | Smola, M, Boura, E. | | 登録日 | 2021-04-20 | | 公開日 | 2022-05-04 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Enzymatic Synthesis of 3'-5', 3'-5' Cyclic Dinucleotides, Their Binding Properties to the Stimulator of Interferon Genes Adaptor Protein, and Structure/Activity Correlations
Biochemistry, 2021
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7Q3B
 | | Crystal structure of human STING in complex with 3'3'-c-(2'F,2'dA-isonucA)MP | | 分子名称: | 3'3'-c-(2'F,2'dA-isonucA)MP, Stimulator of interferon genes protein | | 著者 | Smola, M, Klima, M, Boura, E. | | 登録日 | 2021-10-27 | | 公開日 | 2022-06-15 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.55733919 Å) | | 主引用文献 | Discovery of isonucleotidic CDNs as potent STING agonists with immunomodulatory potential.
Structure, 30, 2022
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7Q85
 | | Crystal structure of human STING in complex with MD1193 | | 分子名称: | 9-[(1R,6R,8R,13E,15R,17R,18R)-17-(6-aminopurin-9-yl)-9,18-bis(fluoranyl)-3,12-bis(oxidanyl)-3,12-bis(oxidanylidene)-2,4,7,11,16-pentaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.3.0.0^{6,10}]octadec-13-en-8-yl]purin-6-amine, Stimulator of interferon genes protein | | 著者 | Smola, M, Klima, M, Boura, E. | | 登録日 | 2021-11-10 | | 公開日 | 2022-10-19 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.359 Å) | | 主引用文献 | Vinylphosphonate-based cyclic dinucleotides enhance STING-mediated cancer immunotherapy.
Eur.J.Med.Chem., 259, 2023
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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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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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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
 | | 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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6S26
 | | Crystal structure of human wild type STING in complex with 2'-3'-cyclic-GMP-7-deaza-AMP | | 分子名称: | 2-azanyl-9-[(1~{R},6~{R},8~{R},9~{R},10~{S},15~{R},17~{R},18~{R})-8-(4-azanylpyrrolo[2,3-d]pyrimidin-7-yl)-3,9,12,18-tetrakis(oxidanyl)-3,12-bis(oxidanylidene)-2,4,7,11,13,16-hexaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.2.1.0^{6,10}]octadecan-17-yl]-1~{H}-purin-6-one, Stimulator of interferon protein | | 著者 | Boura, E, Smola, M, Brynda, J. | | 登録日 | 2019-06-20 | | 公開日 | 2019-11-27 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | | 主引用文献 | Enzymatic Preparation of 2'-5',3'-5'-Cyclic Dinucleotides, Their Binding Properties to Stimulator of Interferon Genes Adaptor Protein, and Structure/Activity Correlations.
J.Med.Chem., 62, 2019
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6RVA
 | | STRUCTURE OF [ASP58]-IGF-I ANALOGUE | | 分子名称: | Insulin-like growth factor I | | 著者 | Jiracek, J, Zakova, L, Socha, O. | | 登録日 | 2019-05-31 | | 公開日 | 2019-10-02 | | 最終更新日 | 2023-06-14 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Mutations at hypothetical binding site 2 in insulin and insulin-like growth factors 1 and 2 result in receptor- and hormone-specific responses.
J.Biol.Chem., 294, 2019
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6S27
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7SAN
 | | Crystal structure of human hypoxanthine guanine phosphoribzosyltransferase in complex with (4S,7S)-7-hydroxy-4-((guanin-9-yl)methyl)-2,5-dioxaheptan-1,7-diphosphonate | | 分子名称: | ({(2S)-3-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-2-[(2S)-2-hydroxy-2-phosphonoethoxy]propoxy}methyl)phosphonic acid, Hypoxanthine-guanine phosphoribosyltransferase | | 著者 | Guddat, L.W, Keough, D.T. | | 登録日 | 2021-09-22 | | 公開日 | 2022-05-18 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.58155513 Å) | | 主引用文献 | Stereo-Defined Acyclic Nucleoside Phosphonates are Selective and Potent Inhibitors of Parasite 6-Oxopurine Phosphoribosyltransferases.
J.Med.Chem., 65, 2022
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7SB7
 | | Crystal structure of T. brucei hypoxanthine guanine phosphoribosyltransferase in complex with (4S,7S)-7-hydroxy-4-((guanin-9-yl)methyl)-2,5-dioxaheptan-1,7-diphosphonate | | 分子名称: | ({(2S)-3-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-2-[(2S)-2-hydroxy-2-phosphonoethoxy]propoxy}methyl)phosphonic acid, Hypoxanthine-guanine phosphoribosyltransferase | | 著者 | Guddat, L.W, Keough, D.T. | | 登録日 | 2021-09-24 | | 公開日 | 2022-03-02 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.64716625 Å) | | 主引用文献 | Stereo-Defined Acyclic Nucleoside Phosphonates are Selective and Potent Inhibitors of Parasite 6-Oxopurine Phosphoribosyltransferases.
J.Med.Chem., 65, 2022
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7SCR
 | | Crystal structure of trypanosome brucei hypoxanthine-guanine-xanthine phosphoribzosyltransferase in complex with (4S,7S)-7-hydroxy-4-((guanin-9-yl)methyl)-2,5-dioxaheptan-1,7-diphosphonate | | 分子名称: | ({(2S)-3-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-2-[(2S)-2-hydroxy-2-phosphonoethoxy]propoxy}methyl)phosphonic acid, Hypoxanthine-guanine phosphoribosyltransferase | | 著者 | Guddat, L.W, Keough, D.T. | | 登録日 | 2021-09-29 | | 公開日 | 2022-03-02 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.12068486 Å) | | 主引用文献 | Stereo-Defined Acyclic Nucleoside Phosphonates are Selective and Potent Inhibitors of Parasite 6-Oxopurine Phosphoribosyltransferases.
J.Med.Chem., 65, 2022
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5BQQ
 | | Human insulin with intra-chain chemical crosslink between modified B27 and B30 | | 分子名称: | CHLORIDE ION, Insulin, PHENOL, ... | | 著者 | Brzozowski, A.M, Turkenburg, J.P, Jiracek, J, Zakova, L. | | 登録日 | 2015-05-29 | | 公開日 | 2016-02-03 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.54 Å) | | 主引用文献 | Rational steering of insulin binding specificity by intra-chain chemical crosslinking.
Sci Rep, 6, 2016
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5BOQ
 | | Human insulin with intra-chain chemical crosslink between modified B24 and B29 | | 分子名称: | Insulin, SULFATE ION | | 著者 | Brzozowski, A.M, Turkenburg, J.P, Jiracek, J, Zakova, L. | | 登録日 | 2015-05-27 | | 公開日 | 2016-02-03 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Rational steering of insulin binding specificity by intra-chain chemical crosslinking.
Sci Rep, 6, 2016
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5BPO
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8A2K
 | | human STING in complex with 2'-3'-cyclic-GMP-7-deaza(4-[(2-naphthyloxy)methyl]phenyl)-AMP | | 分子名称: | 2-azanyl-9-[(1~{R},6~{R},8~{R},9~{R},10~{S},15~{R},17~{R},18~{R})-8-[4-azanyl-5-[4-(naphthalen-1-yloxymethyl)phenyl]pyrrolo[2,3-d]pyrimidin-7-yl]-3,9,12,18-tetrakis(oxidanyl)-3,12-bis(oxidanylidene)-2,4,7,11,13,16-hexaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.2.1.0^{6,10}]octadecan-17-yl]-3~{H}-purin-6-one, Stimulator of interferon genes protein | | 著者 | Vavrina, Z, Brynda, J, Rezacova, P. | | 登録日 | 2022-06-03 | | 公開日 | 2022-10-12 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.89 Å) | | 主引用文献 | Design, Synthesis, and Biochemical and Biological Evaluation of Novel 7-Deazapurine Cyclic Dinucleotide Analogues as STING Receptor Agonists.
J.Med.Chem., 65, 2022
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8A2H
 | | human STING in complex with 2',3'-cyclic-GMP-7-deazaphenyl-AMP | | 分子名称: | 2-azanyl-9-[(1~{R},6~{R},8~{R},9~{R},10~{S},15~{R},17~{R},18~{R})-8-(4-azanyl-5-phenyl-pyrrolo[2,3-d]pyrimidin-7-yl)-3,9,12,18-tetrakis(oxidanyl)-3,12-bis(oxidanylidene)-2,4,7,11,13,16-hexaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.2.1.0^{6,10}]octadecan-17-yl]-1~{H}-purin-6-one, Stimulator of interferon genes protein | | 著者 | Smola, M, Vavrina, Z, Boura, E, Brynda, J. | | 登録日 | 2022-06-03 | | 公開日 | 2022-10-12 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.69 Å) | | 主引用文献 | Design, Synthesis, and Biochemical and Biological Evaluation of Novel 7-Deazapurine Cyclic Dinucleotide Analogues as STING Receptor Agonists.
J.Med.Chem., 65, 2022
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8A2J
 | | human STING in complex with 2'-3'-cyclic-GMP-7-deaza(4-biphenylyl)-AMP | | 分子名称: | 2-azanyl-9-[(1~{R},6~{R},8~{R},9~{R},10~{S},15~{R},17~{R},18~{R})-8-[4-azanyl-5-(4-phenylphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]-3,9,12,18-tetrakis(oxidanyl)-3,12-bis(oxidanylidene)-2,4,7,11,13,16-hexaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.2.1.0^{6,10}]octadecan-17-yl]-1~{H}-purin-6-one, Stimulator of interferon genes protein | | 著者 | Vavrina, Z, Brynda, J, Rezacova, P. | | 登録日 | 2022-06-03 | | 公開日 | 2022-10-12 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.32 Å) | | 主引用文献 | Design, Synthesis, and Biochemical and Biological Evaluation of Novel 7-Deazapurine Cyclic Dinucleotide Analogues as STING Receptor Agonists.
J.Med.Chem., 65, 2022
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8A2I
 | | human STING in complex with 2'-3'-cyclic-GMP-7-deaza(4-(2-naphthyl)phenyl)-AMP | | 分子名称: | 2-azanyl-9-[(1~{R},6~{R},8~{R},9~{R},10~{S},15~{R},17~{R},18~{R})-8-[4-azanyl-5-(4-naphthalen-2-ylphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]-3,9,12,18-tetrakis(oxidanyl)-3,12-bis(oxidanylidene)-2,4,7,11,13,16-hexaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.2.1.0^{6,10}]octadecan-17-yl]-3~{H}-purin-6-one, Stimulator of interferon genes protein | | 著者 | Vavrina, Z, Brynda, J, Rezacova, P. | | 登録日 | 2022-06-03 | | 公開日 | 2022-10-12 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.16 Å) | | 主引用文献 | Design, Synthesis, and Biochemical and Biological Evaluation of Novel 7-Deazapurine Cyclic Dinucleotide Analogues as STING Receptor Agonists.
J.Med.Chem., 65, 2022
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5MML
 | | HYL-20k | | 分子名称: | GLY-ILE-LEU-SER-SER-LEU-TRP-LYS-LYS-LEU-LYS-LYS-ILE-ILE-ALA-LYS | | 著者 | Hexnerova, R. | | 登録日 | 2016-12-10 | | 公開日 | 2017-09-06 | | 最終更新日 | 2023-06-14 | | 実験手法 | SOLUTION NMR | | 主引用文献 | How proteases from Enterococcus faecalis contribute to its resistance to short alpha-helical antimicrobial peptides.
Pathog Dis, 75, 2017
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5MMK
 | | HYL-20 | | 分子名称: | GLY-ILE-LEU-SER-SER-LEU-TRP-LYS-LYS-LEU-LYS-LYS-ILE-ILE-ALA-LYS | | 著者 | Hexnerova, R. | | 登録日 | 2016-12-10 | | 公開日 | 2017-09-06 | | 最終更新日 | 2023-06-14 | | 実験手法 | SOLUTION NMR | | 主引用文献 | How proteases from Enterococcus faecalis contribute to its resistance to short alpha-helical antimicrobial peptides.
Pathog Dis, 75, 2017
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