5V43
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7QT0
| Antibody FenAb136 - fentanyl complex | 分子名称: | 2-[2-[2-[2-[[5-oxidanylidene-5-[2-[4-[phenyl(propanoyl)amino]piperidin-1-yl]ethylamino]pentanoyl]amino]ethanoylamino]ethanoylamino]ethanoylamino]ethanoic acid, Antibody heavy chain, Antibody light chain | 著者 | Zeelen, J.P, Straaten van, M, Stebbins, C.E. | 登録日 | 2022-01-14 | 公開日 | 2023-05-24 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.07 Å) | 主引用文献 | A trypanosome-derived immunotherapeutics platform elicits potent high-affinity antibodies, negating the effects of the synthetic opioid fentanyl. Cell Rep, 42, 2023
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7QT4
| Antibody FenAb709 - fentanyl complex | 分子名称: | 2-[2-[2-[2-[[5-oxidanylidene-5-[2-[4-[phenyl(propanoyl)amino]piperidin-1-yl]ethylamino]pentanoyl]amino]ethanoylamino]ethanoylamino]ethanoylamino]ethanoic acid, Antibody heavy chain, Antibody light chain | 著者 | Zeelen, J.P, Straaten van, M, Stebbins, C.E. | 登録日 | 2022-01-14 | 公開日 | 2023-05-24 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.32 Å) | 主引用文献 | A trypanosome-derived immunotherapeutics platform elicits potent high-affinity antibodies, negating the effects of the synthetic opioid fentanyl. Cell Rep, 42, 2023
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7QT3
| Antibody FenAb609 - fentanyl complex | 分子名称: | Antibody heavy chain, Antibody light chain, N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide | 著者 | Zeelen, J.P, Straaten van, M, Stebbins, C.E. | 登録日 | 2022-01-14 | 公開日 | 2023-05-24 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | A trypanosome-derived immunotherapeutics platform elicits potent high-affinity antibodies, negating the effects of the synthetic opioid fentanyl. Cell Rep, 42, 2023
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6B52
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6B1C
| Macrophage Migration Inhibitory Factor in complex with a Naphthyridinone Inhibitor (4a) | 分子名称: | 2-[1-(3-fluoro-4-hydroxyphenyl)-1H-1,2,3-triazol-4-yl]-7-methyl-1,7-naphthyridin-8(7H)-one, Macrophage migration inhibitory factor, SULFATE ION | 著者 | Krimmer, S.G, Robertson, M.J, Jorgensen, W.L. | 登録日 | 2017-09-18 | 公開日 | 2018-01-03 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.163 Å) | 主引用文献 | Adding a Hydrogen Bond May Not Help: Naphthyridinone vs Quinoline Inhibitors of Macrophage Migration Inhibitory Factor. ACS Med Chem Lett, 8, 2017
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6B2C
| Macrophage Migration Inhibitory Factor in Complex with a Naphthyridinone Inhibitor (4b) | 分子名称: | Macrophage migration inhibitory factor, SULFATE ION, {2-[1-(3-fluoro-4-hydroxyphenyl)-1H-1,2,3-triazol-4-yl]-8-oxo-1,7-naphthyridin-7(8H)-yl}acetic acid | 著者 | Krimmer, S.G, Robertson, M.J, Jorgensen, W.L. | 登録日 | 2017-09-19 | 公開日 | 2018-01-03 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Adding a Hydrogen Bond May Not Help: Naphthyridinone vs Quinoline Inhibitors of Macrophage Migration Inhibitory Factor. ACS Med Chem Lett, 8, 2017
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6AU1
| Structure of the PgaB (BpsB) glycoside hydrolase domain from Bordetella bronchiseptica | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, Putative hemin storage protein, ... | 著者 | Little, D.J, Bamford, N.C, Howell, P.L. | 登録日 | 2017-08-30 | 公開日 | 2018-04-18 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.76 Å) | 主引用文献 | PgaB orthologues contain a glycoside hydrolase domain that cleaves deacetylated poly-beta (1,6)-N-acetylglucosamine and can disrupt bacterial biofilms. PLoS Pathog., 14, 2018
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6B4Y
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6B50
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6B1K
| Macrophage Migration Inhibitory Factor in Complex with a Naphthyridinone Inhibitor (3a) | 分子名称: | 2-[1-(4-hydroxyphenyl)-1H-1,2,3-triazol-4-yl]-7-methyl-1,7-naphthyridin-8(7H)-one, GLYCEROL, Macrophage migration inhibitory factor, ... | 著者 | Krimmer, S.G, Robertson, M.J, Jorgensen, W.L. | 登録日 | 2017-09-18 | 公開日 | 2018-01-03 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.17 Å) | 主引用文献 | Adding a Hydrogen Bond May Not Help: Naphthyridinone vs Quinoline Inhibitors of Macrophage Migration Inhibitory Factor. ACS Med Chem Lett, 8, 2017
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6BCC
| Joint X-ray/neutron structure of human carbonic anhydrase II in complex with ethoxzolamide | 分子名称: | 6-ethoxy-1,3-benzothiazole-2-sulfonamide, Carbonic anhydrase 2, ZINC ION | 著者 | Kovalevsky, A, McKenna, R, Aggarwal, M. | 登録日 | 2017-10-20 | 公開日 | 2018-02-28 | 最終更新日 | 2023-10-04 | 実験手法 | NEUTRON DIFFRACTION (1.8 Å), X-RAY DIFFRACTION | 主引用文献 | "To Be or Not to Be" Protonated: Atomic Details of Human Carbonic Anhydrase-Clinical Drug Complexes by Neutron Crystallography and Simulation. Structure, 26, 2018
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5VA0
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6BC9
| Joint X-ray/neutron structure of human carbonic anhydrase II in complex with dorzolamide | 分子名称: | (4S-TRANS)-4-(ETHYLAMINO)-5,6-DIHYDRO-6-METHYL-4H-THIENO(2,3-B)THIOPYRAN-2-SULFONAMIDE-7,7-DIOXIDE, Carbonic anhydrase 2, ZINC ION | 著者 | Kovalevsky, A, McKenna, R, Aggarwal, M. | 登録日 | 2017-10-20 | 公開日 | 2018-02-28 | 最終更新日 | 2023-10-04 | 実験手法 | NEUTRON DIFFRACTION (1.8 Å), X-RAY DIFFRACTION | 主引用文献 | "To Be or Not to Be" Protonated: Atomic Details of Human Carbonic Anhydrase-Clinical Drug Complexes by Neutron Crystallography and Simulation. Structure, 26, 2018
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6B4Z
| Schistosoma mansoni (Blood Fluke) Sulfotransferase, T157S Mutant | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ADENOSINE-3'-5'-DIPHOSPHATE, Sulfotransferase oxamniquine resistance protein | 著者 | Taylor, A.B. | 登録日 | 2017-09-27 | 公開日 | 2018-10-10 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.74 Å) | 主引用文献 | Why does oxamniquine kill Schistosoma mansoni and not S. haematobium and S. japonicum? Int.J.Parasitol., 2020
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6B54
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5VA7
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6B51
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6BK3
| Crystal structure of Os79 from O. sativa in complex with UDP and deoxynivalenol-3-glucoside (glucose moitey not resolved) | 分子名称: | (3alpha,7alpha)-3,7,15-trihydroxy-12,13-epoxytrichothec-9-en-8-one, UDP-glycosyltransferase 79, URIDINE-5'-DIPHOSPHATE | 著者 | Wetterhorn, K, Gabardi, K, Rayment, I. | 登録日 | 2017-11-07 | 公開日 | 2017-11-29 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.17 Å) | 主引用文献 | Determinants and Expansion of Specificity in a Trichothecene UDP-Glucosyltransferase from Oryza sativa. Biochemistry, 56, 2017
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5VN5
| Crystal structure of LigY from Sphingobium sp. strain SYK-6 | 分子名称: | 2,2',3-trihydroxy-3'-methoxy-5,5'-dicarboxybiphenyl meta-cleavage compound hydrolase, CHLORIDE ION, ZINC ION | 著者 | Kuatsjah, E, Chan, A.C.K, Kobylarz, M.J, Murphy, M.E.P, Eltis, L.D. | 登録日 | 2017-04-28 | 公開日 | 2017-09-27 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | The bacterialmeta-cleavage hydrolase LigY belongs to the amidohydrolase superfamily, not to the alpha / beta-hydrolase superfamily. J. Biol. Chem., 292, 2017
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7S86
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7SAQ
| Cryo-EM structure of TMEM106B fibrils extracted from a FTLD-TDP patient, polymorph 1 | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Transmembrane protein 106B | 著者 | Cao, Q, Jiang, Y, Sawaya, M.R, Eisenberg, D.S. | 登録日 | 2021-09-23 | 公開日 | 2022-03-09 | 最終更新日 | 2022-05-25 | 実験手法 | ELECTRON MICROSCOPY (2.9 Å) | 主引用文献 | Amyloid fibrils in FTLD-TDP are composed of TMEM106B and not TDP-43. Nature, 605, 2022
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7SAS
| Cryo-EM structure of TMEM106B fibrils extracted from a FTLD-TDP patient, polymorph 3 | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Transmembrane protein 106B | 著者 | Cao, Q, Jiang, Y, Sawaya, M.R, Eisenberg, D.S. | 登録日 | 2021-09-23 | 公開日 | 2022-03-09 | 最終更新日 | 2022-05-25 | 実験手法 | ELECTRON MICROSCOPY (3.7 Å) | 主引用文献 | Amyloid fibrils in FTLD-TDP are composed of TMEM106B and not TDP-43. Nature, 605, 2022
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7SAR
| Cryo-EM structure of TMEM106B fibrils extracted from a FTLD-TDP patient, polymorph 2 | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Transmembrane protein 106B | 著者 | Cao, Q, Jiang, Y, Sawaya, M.R, Eisenberg, D.S. | 登録日 | 2021-09-23 | 公開日 | 2022-03-09 | 最終更新日 | 2022-05-25 | 実験手法 | ELECTRON MICROSCOPY (3.2 Å) | 主引用文献 | Amyloid fibrils in FTLD-TDP are composed of TMEM106B and not TDP-43. Nature, 605, 2022
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6C8T
| The structure of MppP soaked with the substrate L-Arg | 分子名称: | (E)-N~2~-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-L-arginine, CHLORIDE ION, PLP-Dependent L-Arginine Hydroxylase MppP | 著者 | Han, L, Silvaggi, N.R. | 登録日 | 2018-01-25 | 公開日 | 2018-09-05 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Streptomyces wadayamensis MppP is a PLP-Dependent Oxidase, Not an Oxygenase. Biochemistry, 57, 2018
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