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5E66
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The complex structure of Hemagglutinin-esterase-fusion mutant protein from the influenza D virus with receptor analog 9-N-Ac-Sia
分子名称: (6R)-5-acetamido-6-[(1S,2S)-3-acetamido-1,2-dihydroxypropyl]-3,5-dideoxy-beta-L-threo-hex-2-ulopyranosonic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Song, H, Qi, J, Shi, Y, Gao, G.F.
登録日2015-10-09
公開日2016-03-23
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献An Open Receptor-Binding Cavity of Hemagglutinin-Esterase-Fusion Glycoprotein from Newly-Identified Influenza D Virus: Basis for Its Broad Cell Tropism
PLoS Pathog., 12, 2016
8EBU
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XPC release from Core7-XPA-DNA (Cy5)
分子名称: DNA repair protein complementing XP-A cells, DNA repair protein complementing XP-C cells, DNA1, ...
著者Kim, J, Yang, W.
登録日2022-08-31
公開日2023-04-19
最終更新日2024-06-19
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Lesion recognition by XPC, TFIIH and XPA in DNA excision repair.
Nature, 617, 2023
8EBY
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XPC release from Core7-XPA-DNA (AP)
分子名称: DNA, DNA repair protein complementing XP-A cells, DNA repair protein complementing XP-C cells, ...
著者Kim, J, Yang, W.
登録日2022-08-31
公開日2023-04-19
最終更新日2024-06-19
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Lesion recognition by XPC, TFIIH and XPA in DNA excision repair.
Nature, 617, 2023
8EBT
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BU of 8ebt by Molmil
XPA repositioning Core7 of TFIIH relative to XPC-DNA lesion (Cy5)
分子名称: CALCIUM ION, Centrin-2, DNA, ...
著者Kim, J, Yang, W.
登録日2022-08-31
公開日2023-04-19
最終更新日2024-06-19
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Lesion recognition by XPC, TFIIH and XPA in DNA excision repair.
Nature, 617, 2023
8EBV
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BU of 8ebv by Molmil
Initial DNA-lesion (AP) binding by XPC and TFIIH complex 1
分子名称: CALCIUM ION, Centrin-2, DNA, ...
著者Kim, J, Yang, W.
登録日2022-08-31
公開日2023-04-19
最終更新日2024-06-19
実験手法ELECTRON MICROSCOPY (7.1 Å)
主引用文献Lesion recognition by XPC, TFIIH and XPA in DNA excision repair.
Nature, 617, 2023
8EBS
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BU of 8ebs by Molmil
Initial DNA-lesion (Cy5) binding by XPC and TFIIH
分子名称: CALCIUM ION, Centrin-2, DNA, ...
著者Kim, J, Yang, W.
登録日2022-08-31
公開日2023-04-19
最終更新日2024-06-19
実験手法ELECTRON MICROSCOPY (4 Å)
主引用文献Lesion recognition by XPC, TFIIH and XPA in DNA excision repair.
Nature, 617, 2023
8EBW
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BU of 8ebw by Molmil
Initial DNA-lesion (AP) binding by XPC and TFIIH complex2
分子名称: CALCIUM ION, Centrin-2, DNA, ...
著者Kim, J, Yang, W.
登録日2022-08-31
公開日2023-04-19
最終更新日2024-06-19
実験手法ELECTRON MICROSCOPY (5.6 Å)
主引用文献Lesion recognition by XPC, TFIIH and XPA in DNA excision repair.
Nature, 617, 2023
8EBX
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XPA repositioning Core7 of TFIIH relative to XPC-DNA lesion (AP)
分子名称: CALCIUM ION, Centrin-2, DNA, ...
著者Kim, J, Yang, W.
登録日2022-08-31
公開日2023-04-19
最終更新日2024-06-19
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Lesion recognition by XPC, TFIIH and XPA in DNA excision repair.
Nature, 617, 2023
5E62
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BU of 5e62 by Molmil
HEF-mut with Tr323 complex
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, 9-O-acetyl-5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosonic acid-(2-3)-beta-D-galactopyranose-(1-3)-2-azidoethyl 2-acetamido-2-deoxy-beta-D-glucopyranoside, ...
著者Song, H, Qi, J, Shi, Y, Gao, G.F.
登録日2015-10-09
公開日2016-03-23
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.203 Å)
主引用文献An Open Receptor-Binding Cavity of Hemagglutinin-Esterase-Fusion Glycoprotein from Newly-Identified Influenza D Virus: Basis for Its Broad Cell Tropism
PLoS Pathog., 12, 2016
2G0G
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BU of 2g0g by Molmil
Structure-based drug design of a novel family of PPAR partial agonists: virtual screening, x-ray crystallography and in vitro/in vivo biological activities
分子名称: 3-FLUORO-N-[1-(4-FLUOROPHENYL)-3-(2-THIENYL)-1H-PYRAZOL-5-YL]BENZENESULFONAMIDE, Peroxisome proliferator-activated receptor gamma
著者Lu, I.L, Peng, Y.H, Huang, C.F, Lin, Y.T, Hsu, J.T.A, Wu, S.Y.
登録日2006-02-13
公開日2006-05-16
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.54 Å)
主引用文献Structure-Based Drug Design of a Novel Family of PPARgamma Partial Agonists: Virtual Screening, X-ray Crystallography, and in Vitro/in Vivo Biological Activities
J.Med.Chem., 49, 2006
3V7T
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BU of 3v7t by Molmil
Crystal Structure of Human Beta-Tryptase Complexed with a Synthetic Inhibitor with a Tropanylamide Scaffold
分子名称: CARBONATE ION, TPSB2 protein, {(3-exo)-3-[5-(aminomethyl)-2-fluorophenyl]-8-azabicyclo[3.2.1]oct-8-yl}(4-bromo-3-methyl-5-propoxythiophen-2-yl)methanone
著者Zhang, Y, Colonna, C, Michot, N.
登録日2011-12-22
公開日2012-03-14
最終更新日2024-11-27
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献A beta-tryptase inhibitor with a tropanylamide scaffold to improve in vitro stability and to lower hERG channel binding affinity
Bioorg.Med.Chem.Lett., 22, 2012
3T35
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BU of 3t35 by Molmil
Arabidopsis thaliana dynamin-related protein 1A in postfission state
分子名称: Dynamin-related protein 1A, LINKER, GUANOSINE-5'-DIPHOSPHATE
著者Yan, L.M, Ma, Y.Y, Sun, Y.N, Lou, Z.Y.
登録日2011-07-24
公開日2012-06-06
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (3.592 Å)
主引用文献Structural basis for mechanochemical role of Arabidopsis thaliana dynamin-related protein in membrane fission
J Mol Cell Biol, 3, 2011
8HD8
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BU of 8hd8 by Molmil
Crystal structure of TMPRSS2 in complex with 212-148
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-carbamimidamidobenzoic acid, CALCIUM ION, ...
著者Wang, H, Liu, X, Sun, L, Yang, H.
登録日2022-11-03
公開日2023-12-13
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structure-based discovery of dual pathway inhibitors for SARS-CoV-2 entry.
Nat Commun, 14, 2023
3TDB
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BU of 3tdb by Molmil
Human Pin1 bound to trans peptidomimetic inhibitor
分子名称: 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, N-[(1E,2R)-1-[(2R)-2-{[(2S)-1-amino-5-carbamimidamido-1-oxopentan-2-yl]carbamoyl}cyclopentylidene]-3-(phosphonooxy)propan-2-yl]-L-phenylalaninamide, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1
著者Zhang, M, Zhang, Y.
登録日2011-08-10
公開日2012-06-27
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.267 Å)
主引用文献Structural and Kinetic Analysis of Prolyl-isomerization/Phosphorylation Cross-Talk in the CTD Code.
Acs Chem.Biol., 7, 2012
3TCZ
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BU of 3tcz by Molmil
Human Pin1 bound to cis peptidomimetic inhibitor
分子名称: 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, N~2~-({(1R,2Z)-2-[(2R)-2-(formylamino)-3-(phosphonooxy)propylidene]cyclopentyl}carbonyl)-L-argininamide, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1
著者Zhang, M, Zhang, Y.
登録日2011-08-09
公開日2012-06-20
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural and Kinetic Analysis of Prolyl-isomerization/Phosphorylation Cross-Talk in the CTD Code.
Acs Chem.Biol., 7, 2012
5JKG
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BU of 5jkg by Molmil
The crystal structure of FGFR4 kinase domain in complex with LY2874455
分子名称: 2-[4-[E-2-[5-[(1R)-1-[3,5-bis(chloranyl)pyridin-4-yl]ethoxy]-1H-indazol-3-yl]ethenyl]pyrazol-1-yl]ethanol, Fibroblast growth factor receptor 4
著者Wu, D, Chen, L, Chen, Y.
登録日2016-04-26
公開日2016-10-05
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.352 Å)
主引用文献Crystal Structure of the FGFR4/LY2874455 Complex Reveals Insights into the Pan-FGFR Selectivity of LY2874455
Plos One, 11, 2016
7YBO
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BU of 7ybo by Molmil
Crystal structure of FGFR4 kinase domain with 10z
分子名称: Fibroblast growth factor receptor 4, SULFATE ION, ~{N}-[4-[(1~{R})-1-[3,5-bis(chloranyl)pyridin-4-yl]ethoxy]-5-cyano-pyridin-2-yl]-6-bromanyl-5-(hydroxymethyl)-1-(2-morpholin-4-ylethyl)pyrrolo[3,2-b]pyridine-3-carboxamide
著者Chen, X.J, Lin, Q.M, Chen, Y.H.
登録日2022-06-29
公開日2022-11-16
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.307 Å)
主引用文献Design, Synthesis, and Biological Evaluation of 5-Formyl-pyrrolo[3,2- b ]pyridine-3-carboxamides as New Selective, Potent, and Reversible-Covalent FGFR4 Inhibitors.
J.Med.Chem., 65, 2022
7YC3
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BU of 7yc3 by Molmil
Crystal structure of FGFR4 kinase domain with 10t
分子名称: 6-bromanyl-~{N}-[5-cyano-4-(2-methoxyethylamino)pyridin-2-yl]-5-methanoyl-1-(2-morpholin-4-ylethyl)pyrrolo[3,2-b]pyridine-3-carboxamide, Fibroblast growth factor receptor 4, GLYCEROL, ...
著者Chen, X.J, Lin, Q.M, Chen, Y.H.
登録日2022-06-30
公開日2022-11-16
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.987 Å)
主引用文献Design, Synthesis, and Biological Evaluation of 5-Formyl-pyrrolo[3,2- b ]pyridine-3-carboxamides as New Selective, Potent, and Reversible-Covalent FGFR4 Inhibitors.
J.Med.Chem., 65, 2022
7YC1
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Crystal structure of FGFR4 kinase domain with 10d
分子名称: Fibroblast growth factor receptor 4, GLYCEROL, SULFATE ION, ...
著者Chen, X.J, Lin, Q.M, Chen, Y.H.
登録日2022-06-30
公開日2022-11-16
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.535 Å)
主引用文献Design, Synthesis, and Biological Evaluation of 5-Formyl-pyrrolo[3,2- b ]pyridine-3-carboxamides as New Selective, Potent, and Reversible-Covalent FGFR4 Inhibitors.
J.Med.Chem., 65, 2022
7YBP
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BU of 7ybp by Molmil
Crystal structure of FGFR4(V550L) kinase domain with 10z
分子名称: Fibroblast growth factor receptor 4, SULFATE ION, ~{N}-[4-[(1~{R})-1-[3,5-bis(chloranyl)pyridin-4-yl]ethoxy]-5-cyano-pyridin-2-yl]-6-bromanyl-5-(hydroxymethyl)-1-(2-morpholin-4-ylethyl)pyrrolo[3,2-b]pyridine-3-carboxamide
著者Chen, X.J, Lin, Q.M, Chen, Y.H.
登録日2022-06-29
公開日2022-11-16
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.243 Å)
主引用文献Design, Synthesis, and Biological Evaluation of 5-Formyl-pyrrolo[3,2- b ]pyridine-3-carboxamides as New Selective, Potent, and Reversible-Covalent FGFR4 Inhibitors.
J.Med.Chem., 65, 2022
7YBX
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BU of 7ybx by Molmil
Crystal structure of FGFR4(V550M) kinase domain with 10z
分子名称: Fibroblast growth factor receptor 4, SULFATE ION, ~{N}-[4-[(1~{R})-1-[3,5-bis(chloranyl)pyridin-4-yl]ethoxy]-5-cyano-pyridin-2-yl]-6-bromanyl-5-(hydroxymethyl)-1-(2-morpholin-4-ylethyl)pyrrolo[3,2-b]pyridine-3-carboxamide
著者Chen, X.J, Lin, Q.M, Chen, Y.H.
登録日2022-06-30
公開日2022-11-16
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2.233 Å)
主引用文献Design, Synthesis, and Biological Evaluation of 5-Formyl-pyrrolo[3,2- b ]pyridine-3-carboxamides as New Selective, Potent, and Reversible-Covalent FGFR4 Inhibitors.
J.Med.Chem., 65, 2022
3T34
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BU of 3t34 by Molmil
Arabidopsis thaliana dynamin-related protein 1A (AtDRP1A) in prefission state
分子名称: Dynamin-related protein 1A, LINKER, GUANOSINE-5'-DIPHOSPHATE, ...
著者Yan, L.M, Ma, Y.Y, Sun, Y.N, Lou, Z.Y.
登録日2011-07-24
公開日2012-06-06
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.405 Å)
主引用文献Structural basis for mechanochemical role of Arabidopsis thaliana dynamin-related protein in membrane fission
J Mol Cell Biol, 3, 2011
3WB9
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BU of 3wb9 by Molmil
Crystal Structures of meso-diaminopimelate dehydrogenase from Symbiobacterium thermophilum
分子名称: Diaminopimelate dehydrogenase, GLYCEROL
著者Liu, W.D, Li, Z, Huang, C.H, Guo, R.T, Wu, Q.Q, Zhu, D.M.
登録日2013-05-14
公開日2014-03-26
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Structural and mutational studies on the unusual substrate specificity of meso-diaminopimelate dehydrogenase from Symbiobacterium thermophilum.
Chembiochem, 15, 2014
3WBF
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BU of 3wbf by Molmil
Crystal Structure of meso-diaminopimelate dehydrogenase from Symbiobacterium thermophilum co-crystallized with NADP+ and DAP
分子名称: 2,6-DIAMINOPIMELIC ACID, Diaminopimelate dehydrogenase, GLYCEROL, ...
著者Liu, W.D, Li, Z, Huang, C.H, Guo, R.T, Wu, Q.Q, Zhu, D.M.
登録日2013-05-15
公開日2014-03-26
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.12 Å)
主引用文献Structural and mutational studies on the unusual substrate specificity of meso-diaminopimelate dehydrogenase from Symbiobacterium thermophilum.
Chembiochem, 15, 2014
9BT9
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BU of 9bt9 by Molmil
Cryo-EM Structure of HKU1 spike D1 Domain (Active state, locally refined)
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, Spike glycoprotein, ...
著者Jin, M, Rini, J.M.
登録日2024-05-14
公開日2025-05-14
最終更新日2025-05-21
実験手法ELECTRON MICROSCOPY (2.11 Å)
主引用文献Human coronavirus HKU1 spike structures reveal the basis for sialoglycan specificity and carbohydrate-promoted conformational changes.
Nat Commun, 16, 2025

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