6RVV
 
 | | Structure of left-handed protein cage consisting of 24 eleven-membered ring proteins held together by gold (I) bridges. | | 分子名称: | GOLD ION, Transcription attenuation protein MtrB | | 著者 | Malay, A.D, Miyazaki, N, Biela, A.P, Iwasaki, K, Heddle, J.G. | | 登録日 | 2019-06-03 | | 公開日 | 2019-06-12 | | 最終更新日 | 2024-05-15 | | 実験手法 | ELECTRON MICROSCOPY (3.7 Å) | | 主引用文献 | An ultra-stable gold-coordinated protein cage displaying reversible assembly.
Nature, 569, 2019
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6RVW
 | | Structure of right-handed protein cage consisting of 24 eleven-membered ring proteins held together by gold (I) bridges. | | 分子名称: | GOLD ION, Transcription attenuation protein MtrB | | 著者 | Malay, A.D, Miyazaki, N, Biela, A.P, Iwasaki, K, Heddle, J.G. | | 登録日 | 2019-06-03 | | 公開日 | 2019-06-12 | | 最終更新日 | 2024-05-15 | | 実験手法 | ELECTRON MICROSCOPY (3.7 Å) | | 主引用文献 | An ultra-stable gold-coordinated protein cage displaying reversible assembly.
Nature, 569, 2019
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6EHA
 | | Heme oxygenase 1 in complex with inhibitor | | 分子名称: | 1-(3-imidazol-1-ylpropyl)-5-(2-methylpropyl)-4-phenyl-imidazole, Heme oxygenase 1, PROTOPORPHYRIN IX CONTAINING FE | | 著者 | Grudnik, P, Mieczkowski, M. | | 登録日 | 2017-09-12 | | 公開日 | 2018-10-10 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Development and characterization of a new inhibitor of heme oxygenase activity for cancer treatment.
Arch.Biochem.Biophys., 671, 2019
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8A0E
 | | CryoEM structure of DHS-eIF5A1 complex | | 分子名称: | Deoxyhypusine synthase, Eukaryotic translation initiation factor 5A, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | | 著者 | Wator, E, Wilk, P, Biela, A.P, Rawski, M, Grudnik, P. | | 登録日 | 2022-05-27 | | 公開日 | 2023-04-05 | | 実験手法 | ELECTRON MICROSCOPY (2.8 Å) | | 主引用文献 | Cryo-EM structure of human eIF5A-DHS complex reveals the molecular basis of hypusination-associated neurodegenerative disorders.
Nat Commun, 14, 2023
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6HVH
 | | Human PFKFB3 in complex with a N-Aryl 6-Aminoquinoxaline inhibitor 1 | | 分子名称: | 3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-~{N}-(oxan-4-yl)pyridine-4-carboxamide, 6-O-phosphono-beta-D-fructofuranose, 6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3, ... | | 著者 | Banaszak, K, Jakubiec, K, Bialas, A, Fabritius, C.H, Nowak, M. | | 登録日 | 2018-10-11 | | 公開日 | 2018-11-14 | | 最終更新日 | 2024-05-15 | | 実験手法 | X-RAY DIFFRACTION (2.36 Å) | | 主引用文献 | Discovery and Structure-Activity Relationships of N-Aryl 6-Aminoquinoxalines as Potent PFKFB3 Kinase Inhibitors.
ChemMedChem, 14, 2019
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6HVJ
 | | Human PFKFB3 in complex with a N-Aryl 6-Aminoquinoxaline inhibitor 3 | | 分子名称: | 6-O-phosphono-beta-D-fructofuranose, 6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3, 8-(3-methyl-1-benzofuran-5-yl)-~{N}-(4-methylsulfonylpyridin-3-yl)quinoxalin-6-amine, ... | | 著者 | Banaszak, K, Pawlik, H, Bialas, A, Fabritius, C.H, Nowak, M. | | 登録日 | 2018-10-11 | | 公開日 | 2018-11-14 | | 最終更新日 | 2024-05-15 | | 実験手法 | X-RAY DIFFRACTION (2.28 Å) | | 主引用文献 | Discovery and Structure-Activity Relationships of N-Aryl 6-Aminoquinoxalines as Potent PFKFB3 Kinase Inhibitors.
ChemMedChem, 14, 2019
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6IBY
 | | Human PFKFB3 in complex with a N-Aryl 6-Aminoquinoxaline inhibitor 6 | | 分子名称: | 3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-~{N}-[(3~{S})-1-methylpyrrolidin-3-yl]pyridine-4-carboxamide, 6-O-phosphono-beta-D-fructofuranose, 6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3, ... | | 著者 | Banaszak, K, Pawlik, H, Bialas, A, Fabritius, C.H, Nowak, M. | | 登録日 | 2018-12-01 | | 公開日 | 2019-01-23 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.51 Å) | | 主引用文献 | Synthesis of amide and sulfonamide substituted N-aryl 6-aminoquinoxalines as PFKFB3 inhibitors with improved physicochemical properties.
Bioorg. Med. Chem. Lett., 29, 2019
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6IC0
 | | Human PFKFB3 in complex with a N-Aryl 6-Aminoquinoxaline inhibitor 4 | | 分子名称: | 3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-~{N}-pyrimidin-5-yl-pyridine-4-carboxamide, 6-O-phosphono-beta-D-fructofuranose, 6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3, ... | | 著者 | Banaszak, K, Pawlik, H, Bialas, A, Fabritius, C.H, Nowak, M. | | 登録日 | 2018-12-01 | | 公開日 | 2019-01-23 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Synthesis of amide and sulfonamide substituted N-aryl 6-aminoquinoxalines as PFKFB3 inhibitors with improved physicochemical properties.
Bioorg. Med. Chem. Lett., 29, 2019
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6HVI
 | | Human PFKFB3 in complex with a N-Aryl 6-Aminoquinoxaline inhibitor 2 | | 分子名称: | 6-O-phosphono-beta-D-fructofuranose, 6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3, 8-[3-(dimethylamino)phenyl]-~{N}-(4-methylsulfonylpyridin-3-yl)quinoxalin-6-amine, ... | | 著者 | Banaszak, K, Sowinska, M, Gondela, A, Fabritius, C.H, Nowak, M. | | 登録日 | 2018-10-11 | | 公開日 | 2018-11-14 | | 最終更新日 | 2024-05-15 | | 実験手法 | X-RAY DIFFRACTION (1.96 Å) | | 主引用文献 | Discovery and Structure-Activity Relationships of N-Aryl 6-Aminoquinoxalines as Potent PFKFB3 Kinase Inhibitors.
ChemMedChem, 14, 2019
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6IBX
 | | Human PFKFB3 in complex with a N-Aryl 6-Aminoquinoxaline inhibitor 5 | | 分子名称: | 3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-~{N}-[(3~{S})-1-methylpiperidin-3-yl]pyridine-4-carboxamide, 6-O-phosphono-beta-D-fructofuranose, 6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3, ... | | 著者 | Banaszak, K, Pawlik, H, Bialas, A, Fabritius, C.H, Nowak, M. | | 登録日 | 2018-12-01 | | 公開日 | 2019-01-23 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.11 Å) | | 主引用文献 | Synthesis of amide and sulfonamide substituted N-aryl 6-aminoquinoxalines as PFKFB3 inhibitors with improved physicochemical properties.
Bioorg. Med. Chem. Lett., 29, 2019
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6IBZ
 | | Human PFKFB3 in complex with a N-Aryl 6-Aminoquinoxaline inhibitor 7 | | 分子名称: | 2-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-~{N}-(pyrimidin-5-ylmethyl)benzenesulfonamide, 6-O-phosphono-beta-D-fructofuranose, 6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3, ... | | 著者 | Banaszak, K, Tomczyk, M, Guzik, P, Fabritius, C.H, Nowak, M. | | 登録日 | 2018-12-01 | | 公開日 | 2019-01-23 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.44 Å) | | 主引用文献 | Synthesis of amide and sulfonamide substituted N-aryl 6-aminoquinoxalines as PFKFB3 inhibitors with improved physicochemical properties.
Bioorg. Med. Chem. Lett., 29, 2019
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7A6S
 | | Crystal Structure of Asn173Ser variant of Human Deoxyhypusine Synthase | | 分子名称: | 1,2-ETHANEDIOL, ACETATE ION, Deoxyhypusine synthase, ... | | 著者 | Wator, E, Wilk, P, Grudnik, P. | | 登録日 | 2020-08-26 | | 公開日 | 2022-03-23 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | Cryo-EM structure of human eIF5A-DHS complex reveals the molecular basis of hypusination-associated neurodegenerative disorders.
Nat Commun, 14, 2023
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7A6T
 | | Crystal Structure of Asn173Ser variant of Human Deoxyhypusine Synthase in complex with NAD and spermidine | | 分子名称: | 1,2-ETHANEDIOL, BETA-MERCAPTOETHANOL, Deoxyhypusine synthase, ... | | 著者 | Wator, E, Wilk, P, Grudnik, P. | | 登録日 | 2020-08-26 | | 公開日 | 2022-03-23 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.66 Å) | | 主引用文献 | Cryo-EM structure of human eIF5A-DHS complex reveals the molecular basis of hypusination-associated neurodegenerative disorders.
Nat Commun, 14, 2023
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8P1I
 | | Single particle cryo-EM co-structure of Klebsiella pneumoniae AcrB with the BDM91288 efflux pump inhibitor at 2.97 Angstrom resolution | | 分子名称: | 1,2-DIOCTANOYL-SN-GLYCERO-3-[PHOSPHO-RAC-(1-GLYCEROL), 3-chloranyl-2,6-di(piperazin-4-ium-1-yl)quinoline, Efflux pump membrane transporter, ... | | 著者 | Boernsen, C, Mueller, R.T, Pos, K.M, Frangakis, A.S. | | 登録日 | 2023-05-12 | | 公開日 | 2024-01-17 | | 最終更新日 | 2024-01-31 | | 実験手法 | ELECTRON MICROSCOPY (2.97 Å) | | 主引用文献 | Pyridylpiperazine efflux pump inhibitor boosts in vivo antibiotic efficacy against K. pneumoniae.
Embo Mol Med, 16, 2024
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8A0G
 | | Human deoxyhypusine synthase with trapped transition state | | 分子名称: | (4R)-2-METHYLPENTANE-2,4-DIOL, 1,3-DIAMINOPROPANE, Deoxyhypusine synthase, ... | | 著者 | Wator, E, Wilk, P, Grudnik, P. | | 登録日 | 2022-05-27 | | 公開日 | 2023-04-05 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.84 Å) | | 主引用文献 | Cryo-EM structure of human eIF5A-DHS complex reveals the molecular basis of hypusination-associated neurodegenerative disorders.
Nat Commun, 14, 2023
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8A0F
 | | Crystal structure of human deoxyhypusine synthase variant K329A in complex with NAD and SPD | | 分子名称: | (4R)-2-METHYLPENTANE-2,4-DIOL, 1,2-ETHANEDIOL, Deoxyhypusine synthase, ... | | 著者 | Wator, E, Wilk, P, Grudnik, P. | | 登録日 | 2022-05-27 | | 公開日 | 2023-04-05 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.64 Å) | | 主引用文献 | Cryo-EM structure of human eIF5A-DHS complex reveals the molecular basis of hypusination-associated neurodegenerative disorders.
Nat Commun, 14, 2023
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6RO2
 | | The crystal structure of a complex between the LlFpg protein, a THF-DNA and an inhibitor | | 分子名称: | 2-sulfanyl-1,9-dihydro-6H-purin-6-one, DNA (5'-D(*CP*TP*CP*TP*TP*TP*(3DR)P*TP*TP*TP*CP*TP*CP*G)-3'), DNA (5'-D(*GP*CP*GP*AP*GP*AP*AP*AP*CP*AP*AP*AP*GP*A)-3'), ... | | 著者 | Coste, F, Goffinont, S, Castaing, B. | | 登録日 | 2019-05-10 | | 公開日 | 2020-04-15 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.821 Å) | | 主引用文献 | Thiopurine Derivative-Induced Fpg/Nei DNA Glycosylase Inhibition: Structural, Dynamic and Functional Insights.
Int J Mol Sci, 21, 2020
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6RP7
 | | The crystal structure of a complex between the LlFpg protein, a THF-DNA and an inhibitor | | 分子名称: | 6,7-dimethyl-2-sulfanylidene-1~{H}-pteridin-4-one, DNA (5'-D(*CP*TP*CP*TP*TP*TP*(3DR)P*TP*TP*TP*CP*TP*CP*G)-3'), DNA (5'-D(*GP*CP*GP*AP*GP*AP*AP*AP*CP*AP*AP*AP*GP*A)-3'), ... | | 著者 | Coste, F, Goffinont, S, Castaing, B. | | 登録日 | 2019-05-14 | | 公開日 | 2020-04-15 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Thiopurine Derivative-Induced Fpg/Nei DNA Glycosylase Inhibition: Structural, Dynamic and Functional Insights.
Int J Mol Sci, 21, 2020
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6ROK
 | | The crystal structure of a complex between the LlFpg protein, a THF-DNA and an inhibitor | | 分子名称: | 2,8-dithioxo-1,2,3,7,8,9-hexahydro-6H-purin-6-one, DNA (5'-D(*CP*TP*CP*TP*TP*TP*(3DR)P*TP*TP*TP*CP*TP*CP*G)-3'), DNA (5'-D(*GP*CP*GP*AP*GP*AP*AP*AP*CP*AP*AP*AP*GP*A)-3'), ... | | 著者 | Coste, F, Goffinont, S, Castaing, B. | | 登録日 | 2019-05-13 | | 公開日 | 2020-04-15 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Thiopurine Derivative-Induced Fpg/Nei DNA Glycosylase Inhibition: Structural, Dynamic and Functional Insights.
Int J Mol Sci, 21, 2020
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6RNR
 | | The crystal structure of a complex between the LlFpg protein, a THF-DNA and an inhibitor | | 分子名称: | 2-(trifluoromethyl)-9~{H}-purine-6-thiol, DNA (5'-D(*CP*TP*CP*TP*TP*TP*(3DR)P*TP*TP*TP*CP*TP*CP*G)-3'), DNA (5'-D(*GP*CP*GP*AP*GP*AP*AP*AP*CP*AP*AP*AP*GP*A)-3'), ... | | 著者 | Coste, F, Goffinont, S, Castaing, B. | | 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 (2.003 Å) | | 主引用文献 | Thiopurine Derivative-Induced Fpg/Nei DNA Glycosylase Inhibition: Structural, Dynamic and Functional Insights.
Int J Mol Sci, 21, 2020
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6RNM
 | | Crystal structure of a complex between the LlFpg protein, a THF-DNA and an inhibitor | | 分子名称: | 6-azanyl-9~{H}-purine-8-thiol, DNA (5'-D(*CP*TP*CP*TP*TP*TP*(3DR)P*TP*TP*TP*CP*TP*CP*G)-3'), DNA (5'-D(*GP*CP*GP*AP*GP*AP*AP*AP*CP*AP*AP*AP*GP*A)-3'), ... | | 著者 | Coste, F, Goffinont, S, Castaing, B. | | 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 (1.76 Å) | | 主引用文献 | Thiopurine Derivative-Induced Fpg/Nei DNA Glycosylase Inhibition: Structural, Dynamic and Functional Insights.
Int J Mol Sci, 21, 2020
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6RP0
 | | The crystal structure of a complex between the LlFpg protein, a THF-DNA and an inhibitor | | 分子名称: | 2,8-dithioxo-1,2,3,7,8,9-hexahydro-6H-purin-6-one, DNA (5'-D(*CP*TP*CP*TP*TP*TP*(3DR)P*TP*TP*TP*CP*TP*CP*G)-3'), DNA (5'-D(*GP*CP*GP*AP*GP*AP*AP*AP*CP*AP*AP*AP*GP*A)-3'), ... | | 著者 | Coste, F, Goffinont, S, Castaing, B. | | 登録日 | 2019-05-13 | | 公開日 | 2020-04-15 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | | 主引用文献 | Thiopurine Derivative-Induced Fpg/Nei DNA Glycosylase Inhibition: Structural, Dynamic and Functional Insights.
Int J Mol Sci, 21, 2020
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6RNO
 | | Crystal structure of a complex between the LlFpg protein, a THF-DNA and an inhibitor | | 分子名称: | 2-sulfanylidene-1,7-dihydropyrrolo[2,3-d]pyrimidin-4-one, DNA (5'-D(*CP*TP*CP*TP*TP*TP*(3DR)P*TP*TP*TP*CP*TP*CP*G)-3'), DNA (5'-D(*GP*CP*GP*AP*GP*AP*AP*AP*CP*AP*AP*AP*GP*A)-3'), ... | | 著者 | Coste, F, Goffinont, S, Castaing, B. | | 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 (2.25 Å) | | 主引用文献 | Thiopurine Derivative-Induced Fpg/Nei DNA Glycosylase Inhibition: Structural, Dynamic and Functional Insights.
Int J Mol Sci, 21, 2020
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3UTU
 | | High affinity inhibitor of human thrombin | | 分子名称: | (2S)-N-[(4-carbamimidoylphenyl)methyl]-1-[(2S)-2-[(3-chloro-4-methoxybenzene)sulfonamido]-3-{[(4-cyanophenyl)methyl]carbamoyl}propanoyl]pyrrolidine-2-carboxamide, Hirudin variant-1, SODIUM ION, ... | | 著者 | Baum, B, Steinmetzer, T, Heine, A, Klebe, G. | | 登録日 | 2011-11-26 | | 公開日 | 2012-08-29 | | 最終更新日 | 2023-12-06 | | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | | 主引用文献 | Beyond heparinization: design of highly potent thrombin inhibitors suitable for surface coupling
Chemmedchem, 7, 2012
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5UUT
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