7ONQ
| Carbonic anhydrase II mutant (E69C) dually binding an IrCp* complex to generate an artificial transfer hydrogenase (ATHase) | 分子名称: | 1,2-ETHANEDIOL, 4-[2-(4-azanyl-9-chloranyl-2',3',4',5',6'-pentamethyl-7-oxidanylidene-spiro[1$l^{4},8-diaza-9$l^{8}-iridabicyclo[4.3.0]nona-1,3,5-triene-9,1'-1$l^{8}-iridapentacyclo[2.2.0.0^{1,3}.0^{1,5}.0^{2,6}]hexane]-8-yl)ethyl]benzenesulfonamide, Carbonic anhydrase 2, ... | 著者 | Stein, A, Dongping, C, Cotelle, Y, Rebelein, J.G, Ward, T.R. | 登録日 | 2021-05-25 | 公開日 | 2021-12-01 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | A Dual Anchoring Strategy for the Directed Evolution of Improved Artificial Transfer Hydrogenases Based on Carbonic Anhydrase. Acs Cent.Sci., 7, 2021
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7ONV
| Carbonic anhydrase II mutant (I91C) dually binding an IrCp* complex to generate an artificial transfer hydrogenase (ATHase) | 分子名称: | 1,2-ETHANEDIOL, 4-[2-(4-azanyl-9-chloranyl-2',3',4',5',6'-pentamethyl-7-oxidanylidene-spiro[1$l^{4},8-diaza-9$l^{8}-iridabicyclo[4.3.0]nona-1,3,5-triene-9,1'-1$l^{8}-iridapentacyclo[2.2.0.0^{1,3}.0^{1,5}.0^{2,6}]hexane]-8-yl)ethyl]benzenesulfonamide, Carbonic anhydrase 2, ... | 著者 | Stein, A, Dongping, C, Cotelle, Y, Rebelein, J.G, Ward, T.R. | 登録日 | 2021-05-26 | 公開日 | 2021-12-01 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.04 Å) | 主引用文献 | A Dual Anchoring Strategy for the Directed Evolution of Improved Artificial Transfer Hydrogenases Based on Carbonic Anhydrase. Acs Cent.Sci., 7, 2021
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6D5E
| Ras:SOS:Ras in complex with a small molecule activator | 分子名称: | 1-[(2S)-1-{6-chloro-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-(piperazin-1-yl)-1H-benzimidazol-4-yl}pyrrolidin-2-yl]methanamine, CHLORIDE ION, FORMIC ACID, ... | 著者 | Phan, J, Hodges, T, Fesik, S.W. | 登録日 | 2018-04-19 | 公開日 | 2018-09-19 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | Discovery and Structure-Based Optimization of Benzimidazole-Derived Activators of SOS1-Mediated Nucleotide Exchange on RAS. J. Med. Chem., 61, 2018
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6BKX
| Novel Modes of Inhibition of Wild-Type IDH1: Direct Covalent Modification of His315 with Cmpd1 | 分子名称: | (6aS,7S,9R,10aS)-7,10a-dimethyl-8-oxo-2-(phenylamino)-5,6,6a,7,8,9,10,10a-octahydrobenzo[h]quinazoline-9-carbonitrile, CALCIUM ION, ISOCITRIC ACID, ... | 著者 | Jakob, C.G, Qiu, W. | 登録日 | 2017-11-09 | 公開日 | 2018-07-25 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | Novel Modes of Inhibition of Wild-Type Isocitrate Dehydrogenase 1 (IDH1): Direct Covalent Modification of His315. J. Med. Chem., 61, 2018
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6D55
| Ras:SOS:Ras in complex with a small molecule activator | 分子名称: | 6-chloro-2-(2,6-diazaspiro[3.3]heptan-2-yl)-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-4-(4-methylpiperazin-1-yl)-1H-benzimidazole, FORMIC ACID, GLYCEROL, ... | 著者 | Phan, J, Hodges, T, Fesik, S.W. | 登録日 | 2018-04-19 | 公開日 | 2018-09-19 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (1.68 Å) | 主引用文献 | Discovery and Structure-Based Optimization of Benzimidazole-Derived Activators of SOS1-Mediated Nucleotide Exchange on RAS. J. Med. Chem., 61, 2018
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6RR8
| Structure of 100% reduced KpDyP (final wedges) | 分子名称: | GLYCEROL, Iron-dependent peroxidase, MAGNESIUM ION, ... | 著者 | Pfanzagl, V, Beale, J, Hofbauer, S. | 登録日 | 2019-05-17 | 公開日 | 2020-09-02 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | X-ray-induced photoreduction of heme metal centers rapidly induces active-site perturbations in a protein-independent manner. J.Biol.Chem., 295, 2020
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6RR4
| Structure of 25% reduced KpDyP | 分子名称: | GLYCEROL, Iron-dependent peroxidase, MAGNESIUM ION, ... | 著者 | Pfanzagl, V, Beale, J, Hofbauer, S. | 登録日 | 2019-05-17 | 公開日 | 2020-09-02 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | X-ray-induced photoreduction of heme metal centers rapidly induces active-site perturbations in a protein-independent manner. J.Biol.Chem., 295, 2020
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6D5G
| Ras:SOS:Ras in complex with a small molecule activator | 分子名称: | 6-chloro-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-(piperazin-1-yl)-4-(1,2,3,6-tetrahydropyridin-4-yl)-1H-benzimidazole, BETA-MERCAPTOETHANOL, CHLORIDE ION, ... | 著者 | Phan, J, Hodges, T, Fesik, S.W. | 登録日 | 2018-04-19 | 公開日 | 2018-09-19 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (1.92 Å) | 主引用文献 | Discovery and Structure-Based Optimization of Benzimidazole-Derived Activators of SOS1-Mediated Nucleotide Exchange on RAS. J. Med. Chem., 61, 2018
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6D5V
| Ras:SOS:Ras in complex with a small molecule activator | 分子名称: | 1-[(3-chloro-4-fluorophenyl)methyl]-5,6-dimethyl-1H-benzimidazol-2-amine, GTPase HRas, MAGNESIUM ION, ... | 著者 | Phan, J, Hodges, T, Fesik, S.W. | 登録日 | 2018-04-19 | 公開日 | 2018-09-19 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.04 Å) | 主引用文献 | Discovery and Structure-Based Optimization of Benzimidazole-Derived Activators of SOS1-Mediated Nucleotide Exchange on RAS. J. Med. Chem., 61, 2018
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6D4B
| Crystal structure of Candida boidinii formate dehydrogenase V123A mutant complexed with NAD+ and azide | 分子名称: | AZIDE ION, CHLORIDE ION, Formate dehydrogenase, ... | 著者 | Guo, Q, Ye, H, Gakhar, L, Cheatum, C.M, Kohen, A. | 登録日 | 2018-04-17 | 公開日 | 2019-04-24 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | 主引用文献 | Oscillatory Active-site Motions Correlate with Kinetic Isotope Effects in Formate Dehydrogenase Acs Catalysis, 2019
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8I54
| Lb2Cas12a RNA DNA complex | 分子名称: | DNA (25-MER), DNA (5'-D(*AP*GP*TP*GP*CP*TP*TP*TP*A)-3'), Lb2Cas12a, ... | 著者 | Li, J, Sivaraman, J, Satoru, M. | 登録日 | 2023-01-24 | 公開日 | 2023-02-22 | 最終更新日 | 2024-07-03 | 実験手法 | ELECTRON MICROSCOPY (3.95 Å) | 主引用文献 | Structures of apo Cas12a and its complex with crRNA and DNA reveal the dynamics of ternary complex formation and target DNA cleavage. Plos Biol., 21, 2023
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6D5W
| Ras:SOS:Ras in complex with a small molecule activator | 分子名称: | 10-[(4-fluorophenyl)methyl]-2,3,4,10-tetrahydropyrimido[1,2-a]benzimidazole, GTPase HRas, MAGNESIUM ION, ... | 著者 | Phan, J, Hodges, T, Fesik, S.W. | 登録日 | 2018-04-19 | 公開日 | 2019-03-27 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.478 Å) | 主引用文献 | Discovery and Structure-Based Optimization of Benzimidazole-Derived Activators of SOS1-Mediated Nucleotide Exchange on RAS. J. Med. Chem., 61, 2018
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3L9M
| Crystal structure of PKAB3 (pka triple mutant V123A, L173M, Q181K) with compound 18 | 分子名称: | (2S)-N~1~-[5-(3-methyl-1H-indazol-5-yl)-1,3,4-thiadiazol-2-yl]-3-(4-methylphenyl)propane-1,2-diamine, cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha | 著者 | Huang, X. | 登録日 | 2010-01-05 | 公開日 | 2011-01-19 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Azole-based inhibitors of AKT/PKB for the treatment of cancer. Bioorg.Med.Chem.Lett., 20, 2010
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6RR1
| Structure of 10% reduced KpDyP | 分子名称: | GLYCEROL, Iron-dependent peroxidase, MAGNESIUM ION, ... | 著者 | Pfanzagl, V, Beale, J, Hofbauer, S. | 登録日 | 2019-05-16 | 公開日 | 2020-09-02 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | X-ray-induced photoreduction of heme metal centers rapidly induces active-site perturbations in a protein-independent manner. J.Biol.Chem., 295, 2020
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6X80
| Structure of the Campylobacter jejuni G508A Flagellar Filament | 分子名称: | 5,7-diamino-3,5,7,9-tetradeoxy-L-glycero-alpha-L-manno-non-2-ulopyranosonic acid, Flagellin A | 著者 | Kreutzberger, M.A.B, Wang, F, Egelman, E.H. | 登録日 | 2020-06-01 | 公開日 | 2020-07-08 | 最終更新日 | 2024-05-15 | 実験手法 | ELECTRON MICROSCOPY (3.5 Å) | 主引用文献 | Atomic structure of the Campylobacter jejuni flagellar filament reveals how epsilon Proteobacteria escaped Toll-like receptor 5 surveillance. Proc.Natl.Acad.Sci.USA, 117, 2020
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6RWV
| Structure of apo-LmCpfC | 分子名称: | Ferrochelatase, GLYCEROL, PHOSPHATE ION, ... | 著者 | Hofbauer, S, Helm, J, Djinovic-Carugo, K, Furtmueller, P.G. | 登録日 | 2019-06-06 | 公開日 | 2019-12-18 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.6386379 Å) | 主引用文献 | Crystal structures and calorimetry reveal catalytically relevant binding mode of coproporphyrin and coproheme in coproporphyrin ferrochelatase. Febs J., 287, 2020
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5V40
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7BCP
| Crystal structure of the sugar acid binding protein DctPAm from Advenella mimigardefordensis strain DPN7T in complex with gluconate | 分子名称: | D-gluconic acid, Putative TRAP transporter solute receptor DctP | 著者 | Schaefer, L, Meinert, C, Kobus, S, Hoeppner, A, Smits, S.H, Steinbuechel, A. | 登録日 | 2020-12-21 | 公開日 | 2021-04-07 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Crystal structure of the sugar acid-binding protein CxaP from a TRAP transporter in Advenella mimigardefordensis strain DPN7 T . Febs J., 288, 2021
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7BCO
| Crystal structure of the sugar acid binding protein DctPAm from Advenella mimigardefordensis strain DPN7T in complex with D-foconate | 分子名称: | (2R,3S,4S,5S)-2,3,4,5-tetrahydroxyhexanoic acid, Putative TRAP transporter solute receptor DctP | 著者 | Schaefer, L, Meinert, C, Kobus, S, Hoeppner, A, Smits, S.H, Steinbuechel, A. | 登録日 | 2020-12-21 | 公開日 | 2021-04-07 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Crystal structure of the sugar acid-binding protein CxaP from a TRAP transporter in Advenella mimigardefordensis strain DPN7 T . Febs J., 288, 2021
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7BCR
| Crystal structure of the sugar acid binding protein DctPAm from Advenella mimigardefordensis strain DPN7T in complex with galactonate | 分子名称: | L-galactonic acid, Putative TRAP transporter solute receptor DctP | 著者 | Schaefer, L, Meinert, C, Kobus, S, Hoeppner, A, Smits, S.H, Steinbuechel, A. | 登録日 | 2020-12-21 | 公開日 | 2021-04-07 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Crystal structure of the sugar acid-binding protein CxaP from a TRAP transporter in Advenella mimigardefordensis strain DPN7 T . Febs J., 288, 2021
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7BCN
| Crystal structure of the sugar acid binding protein DctPAm from Advenella mimigardefordensis strain DPN7T in complex with Xylonic acid | 分子名称: | D-xylonic acid, Putative TRAP transporter solute receptor DctP | 著者 | Schaefer, L, Meinert, C, Kobus, S, Hoeppner, A, Smits, S.H, Steinbuechel, A. | 登録日 | 2020-12-21 | 公開日 | 2021-04-14 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Crystal structure of the sugar acid-binding protein CxaP from a TRAP transporter in Advenella mimigardefordensis strain DPN7 T . Febs J., 288, 2021
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6D5H
| Ras:SOS:Ras in complex with a small molecule activator | 分子名称: | 6-chloro-4-(2-chlorophenyl)-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-(piperazin-1-yl)-1H-benzimidazole, CHLORIDE ION, FORMIC ACID, ... | 著者 | Phan, J, Hodges, T, Fesik, S.W. | 登録日 | 2018-04-19 | 公開日 | 2018-09-19 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Discovery and Structure-Based Optimization of Benzimidazole-Derived Activators of SOS1-Mediated Nucleotide Exchange on RAS. J. Med. Chem., 61, 2018
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6D56
| Ras:SOS:Ras in complex with a small molecule activator | 分子名称: | 6-chloro-2-(2,6-diazaspiro[3.3]heptan-2-yl)-4-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-1H-benzimidazole, FORMIC ACID, GLYCEROL, ... | 著者 | Phan, J, Hodges, T, Fesik, S.W. | 登録日 | 2018-04-19 | 公開日 | 2018-09-19 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (1.68 Å) | 主引用文献 | Discovery and Structure-Based Optimization of Benzimidazole-Derived Activators of SOS1-Mediated Nucleotide Exchange on RAS. J. Med. Chem., 61, 2018
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4KTD
| Fab fragment of HIV vaccine-elicited CD4bs-directed antibody, GE136, from non-human primate | 分子名称: | GE136 Heavy Chain Fab, GE136 Light Chain Fab, GLYCEROL, ... | 著者 | Poulsen, C, Tran, K, Standfield, R, Wyatt, R.T. | 登録日 | 2013-05-20 | 公開日 | 2014-02-05 | 最終更新日 | 2017-11-15 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Vaccine-elicited primate antibodies use a distinct approach to the HIV-1 primary receptor binding site informing vaccine redesign. Proc.Natl.Acad.Sci.USA, 111, 2014
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6D5J
| Ras:SOS:Ras in complex with a small molecule activator | 分子名称: | 6-chloro-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-(piperazin-1-yl)-1H-benzimidazole, FORMIC ACID, GLYCEROL, ... | 著者 | Phan, J, Hodges, T, Fesik, S.W. | 登録日 | 2018-04-19 | 公開日 | 2018-09-19 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (1.751 Å) | 主引用文献 | Discovery and Structure-Based Optimization of Benzimidazole-Derived Activators of SOS1-Mediated Nucleotide Exchange on RAS. J. Med. Chem., 61, 2018
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