6ZEV
 
 | | Crystal structure of proteinase K lamellae by electron diffraction with a 20 micrometre C2 condenser aperture | | 分子名称: | CALCIUM ION, Proteinase K | | 著者 | Evans, G, Zhang, P, Beale, E.V, Waterman, D.G. | | 登録日 | 2020-06-16 | | 公開日 | 2020-10-14 | | 最終更新日 | 2024-02-14 | | 実験手法 | ELECTRON CRYSTALLOGRAPHY (2.4 Å) | | 主引用文献 | A Workflow for Protein Structure Determination From Thin Crystal Lamella by Micro-Electron Diffraction.
Front Mol Biosci, 7, 2020
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6ZEU
 | | Crystal structure of proteinase K lamella by electron diffraction with a 50 micrometre C2 condenser aperture | | 分子名称: | CALCIUM ION, Proteinase K | | 著者 | Evans, G, Zhang, P, Beale, E.V, Waterman, D.G. | | 登録日 | 2020-06-16 | | 公開日 | 2020-10-14 | | 最終更新日 | 2024-02-14 | | 実験手法 | ELECTRON CRYSTALLOGRAPHY (2.004 Å) | | 主引用文献 | A Workflow for Protein Structure Determination From Thin Crystal Lamella by Micro-Electron Diffraction.
Front Mol Biosci, 7, 2020
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6ZE1
 | | human NBD1 of CFTR in complex with nanobody G11a | | 分子名称: | 1,2-ETHANEDIOL, ADENOSINE-5'-TRIPHOSPHATE, Cystic fibrosis transmembrane conductance regulator, ... | | 著者 | Garcia-Pino, A, Govaerts, C, Scholl, D, Sigoillot, M. | | 登録日 | 2020-06-15 | | 公開日 | 2021-06-30 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.705 Å) | | 主引用文献 | A topological switch in CFTR modulates channel activity and sensitivity to unfolding.
Nat.Chem.Biol., 17, 2021
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7CBX
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7CBZ
 | | Crystal structure of T2R-TTL-A31 complex | | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-[5-[4-[2-[4-(2-cyclopropylethanoyl)piperazin-1-yl]ethoxy]phenyl]pyridin-2-yl]-N-(phenylmethyl)ethanamide, CALCIUM ION, ... | | 著者 | Yang, J.H, Yan, W. | | 登録日 | 2020-06-15 | | 公開日 | 2021-06-23 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.61 Å) | | 主引用文献 | Design, Synthesis, and Bioactivity Evaluation of Dual-Target Inhibitors of Tubulin and Src Kinase Guided by Crystal Structure.
J.Med.Chem., 64, 2021
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6ZDR
 | | Crystal structure of stabilized A2A adenosine receptor A2AR-StaR2-bRIL in complex with Chromone 4d | | 分子名称: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Adenosine receptor A2a,Soluble cytochrome b562,Adenosine receptor A2a, CHOLESTEROL, ... | | 著者 | Verdon, G, Jespers, W, Azuaje, J, Majellaro, M, Keranen, H, Garcia-mera, X, Congreve, M, Deflorian, F, de Graaf, C, Zhukov, A, Dore, A, Mason, J, Aqvist, J, Cooke, R, Sotelo, E, Gutierrez-de-Teran, H. | | 登録日 | 2020-06-15 | | 公開日 | 2020-09-16 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.918 Å) | | 主引用文献 | X-Ray Crystallography and Free Energy Calculations Reveal the Binding Mechanism of A 2A Adenosine Receptor Antagonists.
Angew.Chem.Int.Ed.Engl., 59, 2020
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6ZDV
 | | Crystal structure of stabilized A2A adenosine receptor A2AR-StaR2-bRIL in complex with Chromone 5d | | 分子名称: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Adenosine receptor A2a,Soluble cytochrome b562,Adenosine receptor A2a, ... | | 著者 | Verdon, G, Jespers, W, Azuaje, J, Majellaro, M, Keranen, H, Garcia-mera, X, Congreve, M, Deflorian, F, de Graaf, C, Zhukov, A, Dore, A, Mason, J, Aqvist, J, Cooke, R, Sotelo, E, Gutierrez-de-Teran, H. | | 登録日 | 2020-06-15 | | 公開日 | 2020-09-16 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.13 Å) | | 主引用文献 | X-Ray Crystallography and Free Energy Calculations Reveal the Binding Mechanism of A 2A Adenosine Receptor Antagonists.
Angew.Chem.Int.Ed.Engl., 59, 2020
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6ZDX
 | | RIFIN variable region bound to LILRB1 ectodomain | | 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, Leukocyte immunoglobulin-like receptor subfamily B member 1, ... | | 著者 | Harrison, T.E, Higgins, M.K. | | 登録日 | 2020-06-15 | | 公開日 | 2020-07-22 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | Structural basis for RIFIN-mediated activation of LILRB1 in malaria.
Nature, 587, 2020
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6ZDQ
 | | Structure of telomerase from Candida albicans in complexe with TWJ fragment of telomeric RNA | | 分子名称: | RNA, Telomerase reverse transcriptase | | 著者 | Zhai, L, Rety, S, Chen, W.F, Auguin, D, Xi, X.G. | | 登録日 | 2020-06-15 | | 公開日 | 2021-04-28 | | 最終更新日 | 2024-05-15 | | 実験手法 | X-RAY DIFFRACTION (2.98 Å) | | 主引用文献 | Crystal structures of N-terminally truncated telomerase reverse transcriptase from fungi‡.
Nucleic Acids Res., 49, 2021
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6ZDU
 | | Structure of telomerase from Candida albicans in complexe with TWJ fragment of telomeric RNA | | 分子名称: | Chains: C,D, Telomerase reverse transcriptase | | 著者 | Zhai, L, Rety, S, Chen, W.F, Auguin, D, Xi, X.G. | | 登録日 | 2020-06-15 | | 公開日 | 2021-04-28 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (3.45 Å) | | 主引用文献 | Crystal structures of N-terminally truncated telomerase reverse transcriptase from fungi‡.
Nucleic Acids Res., 49, 2021
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6XER
 | | Tubulin-RB3_SLD in complex with colchicine | | 分子名称: | GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | | 著者 | White, S.W, Yun, M. | | 登録日 | 2020-06-13 | | 公開日 | 2021-08-25 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Design, Synthesis, and Biological Evaluation of Stable Colchicine-Binding Site Tubulin Inhibitors 6-Aryl-2-benzoyl-pyridines as Potential Anticancer Agents.
J.Med.Chem., 64, 2021
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6XET
 | | Tubulin-RB3_SLD in complex with compound 60c | | 分子名称: | GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | | 著者 | White, S.W, Yun, M. | | 登録日 | 2020-06-13 | | 公開日 | 2021-08-25 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Design, Synthesis, and Biological Evaluation of Stable Colchicine-Binding Site Tubulin Inhibitors 6-Aryl-2-benzoyl-pyridines as Potential Anticancer Agents.
J.Med.Chem., 64, 2021
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6XES
 | | Tubulin-RB3_SLD in complex with compound 40a | | 分子名称: | DIMETHYL SULFOXIDE, GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, ... | | 著者 | White, S.W, Yun, M. | | 登録日 | 2020-06-13 | | 公開日 | 2021-08-25 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.32 Å) | | 主引用文献 | Design, Synthesis, and Biological Evaluation of Stable Colchicine-Binding Site Tubulin Inhibitors 6-Aryl-2-benzoyl-pyridines as Potential Anticancer Agents.
J.Med.Chem., 64, 2021
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6ZD0
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6XE9
 | | 10S myosin II (smooth muscle) | | 分子名称: | Myosin II heavy chain (smooth muscle), Myosin light chain 9, Myosin light chain smooth muscle isoform | | 著者 | Tiwari, P, Craig, R, Padron, R. | | 登録日 | 2020-06-12 | | 公開日 | 2020-12-02 | | 最終更新日 | 2024-03-06 | | 実験手法 | ELECTRON MICROSCOPY (4.3 Å) | | 主引用文献 | Cryo-EM structure of the inhibited (10S) form of myosin II.
Nature, 588, 2020
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7CBK
 | | Structure of Human Neutrophil Elastase Ecotin complex | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Ecotin, ... | | 著者 | Jobichen, C, Sivaraman, J. | | 登録日 | 2020-06-12 | | 公開日 | 2020-08-12 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Structural Basis for the Inhibition Mechanism of Ecotin against Neutrophil Elastase by Targeting the Active Site and Secondary Binding Site.
Biochemistry, 59, 2020
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6XE7
 | | Carbonmonoxy hemoglobin in complex with the antisickling agent methyl 2-((2-formyl-3-hydroxyphenoxy)methyl)nicotinate | | 分子名称: | CARBON MONOXIDE, Hemoglobin subunit alpha, Hemoglobin subunit beta, ... | | 著者 | Pagare, P.P, Safo, M.K, Musayev, F.N. | | 登録日 | 2020-06-12 | | 公開日 | 2020-12-02 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Exploration of Structure-Activity Relationship of Aromatic Aldehydes Bearing Pyridinylmethoxy-Methyl Esters as Novel Antisickling Agents.
J.Med.Chem., 63, 2020
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6XDT
 | | Carbonmonoxy hemoglobin in complex with the antisickling agent methyl 5-((2-formyl-4-methoxyphenoxy)methyl)picolinate | | 分子名称: | CARBON MONOXIDE, Hemoglobin subunit alpha, Hemoglobin subunit beta, ... | | 著者 | Pagare, P.P, Safo, M.K, Musayev, F.N. | | 登録日 | 2020-06-11 | | 公開日 | 2020-12-02 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Exploration of Structure-Activity Relationship of Aromatic Aldehydes Bearing Pyridinylmethoxy-Methyl Esters as Novel Antisickling Agents.
J.Med.Chem., 63, 2020
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7CB9
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6ZCK
 | | Coxsackievirus B4 in complex with capsid binder compound 48 | | 分子名称: | 4-[(6-propoxynaphthalen-2-yl)sulfonylamino]benzoic acid, Capsid protein VP1, Capsid protein VP2, ... | | 著者 | Flatt, J.W, Domanska, A, Butcher, S.J. | | 登録日 | 2020-06-11 | | 公開日 | 2021-03-17 | | 最終更新日 | 2024-07-10 | | 実験手法 | ELECTRON MICROSCOPY (2.7 Å) | | 主引用文献 | Identification of a conserved virion-stabilizing network inside the interprotomer pocket of enteroviruses.
Commun Biol, 4, 2021
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6ZCL
 | | Coxsackievirus B3 in complex with capsid binder compound 17 | | 分子名称: | 4-[[4-[1,3-bis(oxidanylidene)isoindol-2-yl]phenyl]sulfonylamino]benzoic acid, MYRISTIC ACID, capsid protein VP1, ... | | 著者 | Domanska, A, Flatt, J.W, Butcher, S.J. | | 登録日 | 2020-06-11 | | 公開日 | 2021-03-17 | | 最終更新日 | 2023-05-31 | | 実験手法 | ELECTRON MICROSCOPY (2.8 Å) | | 主引用文献 | Identification of a conserved virion-stabilizing network inside the interprotomer pocket of enteroviruses.
Commun Biol, 4, 2021
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6XD9
 | | Carbonmonoxy hemoglobin in complex with the antisickling agent 2-hydroxy-6-((6-(hydroxymethyl)pyridin-2-yl)methoxy)benzaldehyde (VZHE039) | | 分子名称: | 3-{[6-(hydroxymethyl)pyridin-2-yl]methoxy}-2-methylphenol, CARBON MONOXIDE, Hemoglobin subunit alpha, ... | | 著者 | Pagare, P.P, Safo, M.K, Musayev, F.N. | | 登録日 | 2020-06-10 | | 公開日 | 2020-12-23 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | VZHE-039, a novel antisickling agent that prevents erythrocyte sickling under both hypoxic and anoxic conditions.
Sci Rep, 10, 2020
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6XDB
 | | Crystal structure of IRE1a in complex with G-6904 | | 分子名称: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 4-amino-N-(6-chloro-2-fluoro-3-{[(2-fluorophenyl)sulfonyl]amino}phenyl)-6-(1,3-dimethyl-1H-pyrazol-4-yl)quinazoline-8-carboxamide, Serine/threonine-protein kinase/endoribonuclease IRE1 | | 著者 | Wallweber, H.A, Weiru, W. | | 登録日 | 2020-06-10 | | 公開日 | 2021-04-21 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | | 主引用文献 | Identification of BRaf-Sparing Amino-Thienopyrimidines with Potent IRE1 alpha Inhibitory Activity.
Acs Med.Chem.Lett., 11, 2020
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6XDF
 | | Crystal structure of IRE1a in complex with G-4100 | | 分子名称: | 4-amino-N-(6-chloro-2-fluoro-3-{[(pyrrolidin-1-yl)sulfonyl]amino}phenyl)quinazoline-8-carboxamide, SODIUM ION, Serine/threonine-protein kinase/endoribonuclease IRE1 | | 著者 | Steinbacher, S, Wang, W. | | 登録日 | 2020-06-10 | | 公開日 | 2021-04-21 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (2.54 Å) | | 主引用文献 | Identification of BRaf-Sparing Amino-Thienopyrimidines with Potent IRE1 alpha Inhibitory Activity.
Acs Med.Chem.Lett., 11, 2020
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6XDD
 | | Crystal structure of IRE1 in complex with G-3053 | | 分子名称: | 4-[(trans-4-aminocyclohexyl)amino]-N-(6-chloro-3-{[(2,5-difluorophenyl)sulfonyl]amino}-2-fluorophenyl)thieno[3,2-d]pyrimidine-7-carboxamide, Serine/threonine-protein kinase/endoribonuclease IRE1 | | 著者 | Ackerly-Wallweber, H, Wang, W. | | 登録日 | 2020-06-10 | | 公開日 | 2021-04-21 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Identification of BRaf-Sparing Amino-Thienopyrimidines with Potent IRE1 alpha Inhibitory Activity.
Acs Med.Chem.Lett., 11, 2020
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