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5XYZ
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BU of 5xyz by Molmil
The structure of human BTK kinase domain in complex with a covalent inhibitor
分子名称: N-[3-(5-{[(2-chloro-6-fluorophenyl)methyl]amino}-1H-1,2,4-triazol-3-yl)phenyl]propanamide, Tyrosine-protein kinase BTK
著者Wang, Y.L, Sun, Y.Z, Cao, R, Liu, D, Xie, Y.T, Li, L, Qi, X.B, Huang, N.
登録日2017-07-11
公開日2018-05-23
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.64 Å)
主引用文献In Silico Identification of a Novel Hinge-Binding Scaffold for Kinase Inhibitor Discovery.
J. Med. Chem., 60, 2017
5XYX
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BU of 5xyx by Molmil
The structure of p38 alpha in complex with a triazol inhibitor
分子名称: Mitogen-activated protein kinase 14, N-(2-chloro-6-fluorobenzyl)-5-(furan-2-yl)-2H-1,2,4-triazol-3-amine
著者Wang, Y.L, Sun, Y.Z, Cao, R, Liu, D, Li, L, Qi, X.B, Huang, N.
登録日2017-07-11
公開日2018-01-17
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.61 Å)
主引用文献In Silico Identification of a Novel Hinge-Binding Scaffold for Kinase Inhibitor Discovery.
J. Med. Chem., 60, 2017
5XYY
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BU of 5xyy by Molmil
The structure of p38 alpha in complex with a triazol inhibitor
分子名称: 3-(5-{[(2-chloro-6-fluorophenyl)methyl]amino}-4H-1,2,4-triazol-3-yl)phenol, Mitogen-activated protein kinase 14
著者Wang, Y.L, Sun, Y.Z, Cao, R, Liu, D, Li, L, Qi, X.B, Huang, N.
登録日2017-07-11
公開日2018-01-17
最終更新日2024-04-10
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献In Silico Identification of a Novel Hinge-Binding Scaffold for Kinase Inhibitor Discovery.
J. Med. Chem., 60, 2017
2O7L
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BU of 2o7l by Molmil
The open-cap conformation of GlpG
分子名称: Protein glpG, nonyl beta-D-glucopyranoside
著者Ha, Y.
登録日2006-12-11
公開日2006-12-26
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Open-cap conformation of intramembrane protease GlpG.
Proc.Natl.Acad.Sci.Usa, 104, 2007
8TXC
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BU of 8txc by Molmil
Characterization of the Chlamydomonas Flagellar Mastigoneme Filament Subunit MST1 Structure at 3.9 angstrom
分子名称: Mastigoneme-like protein
著者Yue, W, Kai, Z.
登録日2023-08-23
公開日2023-10-25
最終更新日2023-11-08
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Cryo-EM reveals how the mastigoneme assembles and responds to environmental signal changes.
J.Cell Biol., 222, 2023
8TX1
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BU of 8tx1 by Molmil
Characterization of the Chlamydomonas Flagellar Mastigoneme Filament Structure at 3.6A
分子名称: Mastigoneme-like protein
著者Yue, W, Kai, Z.
登録日2023-08-22
公開日2023-10-25
最終更新日2023-11-08
実験手法ELECTRON MICROSCOPY (3.62 Å)
主引用文献Cryo-EM reveals how the mastigoneme assembles and responds to environmental signal changes.
J.Cell Biol., 222, 2023
8TXB
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BU of 8txb by Molmil
Characterization of the Chlamydomonas Flagellar Mastigoneme Filament Structure at 3.9A
分子名称: Mastigoneme-like protein
著者Yue, W, Kai, Z.
登録日2023-08-23
公開日2023-10-25
最終更新日2023-11-08
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Cryo-EM reveals how the mastigoneme assembles and responds to environmental signal changes.
J.Cell Biol., 222, 2023
8Z9Z
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BU of 8z9z by Molmil
Cryo-EM structure of the insect olfactory receptor OR5-Orco heterocomplex from Acyrthosiphon pisum
分子名称: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, Odorant receptor, ApisOR5, ...
著者Wang, Y.D, Qiu, L, Guan, Z.Y, Wang, Q, Wang, G.R, Yin, P.
登録日2024-04-24
公開日2024-06-19
最終更新日2024-07-10
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Structural basis for odorant recognition of the insect odorant receptor OR-Orco heterocomplex.
Science, 384, 2024
8Z9A
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BU of 8z9a by Molmil
Cryo-EM structure of the insect olfactory receptor OR5-Orco heterocomplex from Acyrthosiphon pisum bound with geranyl acetate
分子名称: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, Odorant receptor, ApisOR5, ...
著者Wang, Y.D, Qiu, L, Guan, Z.Y, Wang, Q, Wang, G.R, Yin, P.
登録日2024-04-23
公開日2024-06-19
最終更新日2024-07-10
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Structural basis for odorant recognition of the insect odorant receptor OR-Orco heterocomplex.
Science, 384, 2024
5EKJ
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BU of 5ekj by Molmil
Human Carbonic Anhydrase II complexed with a two-faced guest
分子名称: 2-(butylamino)-~{N}-[2-(4-sulfamoylphenyl)ethyl]ethanamide, Carbonic anhydrase 2, GLYCEROL, ...
著者Roose, B.W, Dmochowski, I.J.
登録日2015-11-03
公開日2016-01-06
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.129 Å)
主引用文献Programming A Molecular Relay for Ultrasensitive Biodetection through (129) Xe NMR.
Angew.Chem.Int.Ed.Engl., 55, 2016
5EKH
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BU of 5ekh by Molmil
Human Carbonic Anhydrase II complexed with a two-faced guest
分子名称: 4-(butylaminomethyl)benzenesulfonamide, Carbonic anhydrase 2, GLYCEROL, ...
著者Roose, B.W, Dmochowksi, I.J.
登録日2015-11-03
公開日2016-01-06
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.34 Å)
主引用文献Programming A Molecular Relay for Ultrasensitive Biodetection through (129) Xe NMR.
Angew.Chem.Int.Ed.Engl., 55, 2016
5EKM
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BU of 5ekm by Molmil
Human Carbonic Anhydrase II complexed with a two-faced guest
分子名称: 2-(butylamino)-~{N}-(4-sulfamoylphenyl)ethanamide, Carbonic anhydrase 2, GLYCEROL, ...
著者Roose, B.W, Dmochowski, I.J.
登録日2015-11-03
公開日2016-01-06
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.33 Å)
主引用文献Programming A Molecular Relay for Ultrasensitive Biodetection through (129) Xe NMR.
Angew.Chem.Int.Ed.Engl., 55, 2016
3NCU
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BU of 3ncu by Molmil
Structural and functional insights into pattern recognition by the innate immune receptor RIG-I
分子名称: 5'-R(*(GDP)P*AP*CP*GP*CP*UP*AP*GP*CP*GP*UP*C)-3', RIG-I, ZINC ION
著者Sheng, G, Li, H.
登録日2010-06-05
公開日2010-06-30
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Structural and functional insights into 5'-ppp RNA pattern recognition by the innate immune receptor RIG-I.
Nat.Struct.Mol.Biol., 17, 2010
5YP6
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BU of 5yp6 by Molmil
RORgamma (263-509) complexed with SRC2 and Compound 6
分子名称: N-[3'-cyano-4'-(2-methylpropyl)-2-(trifluoromethyl)biphenyl-4-yl]-2-[4-(ethylsulfonyl)phenyl]acetamide, Nuclear receptor ROR-gamma, SRC2
著者Gao, M, Cai, W.
登録日2017-11-01
公開日2018-02-07
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献From ROR gamma t Agonist to Two Types of ROR gamma t Inverse Agonists
ACS Med Chem Lett, 9, 2018
5YP5
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BU of 5yp5 by Molmil
Crystal structure of RORgamma complexed with SRC2 and compound 5d
分子名称: 2-[4-(ethylsulfonyl)phenyl]-N-{5-[2-(2-methylpropyl)benzoyl]-4-phenyl-1,3-thiazol-2-yl}acetamide, Nuclear receptor ROR-gamma, SRC2-2 peptide
著者Gao, M, Cai, W, Chunwa, C.
登録日2017-11-01
公開日2018-04-04
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献From ROR gamma t Agonist to Two Types of ROR gamma t Inverse Agonists
ACS Med Chem Lett, 9, 2018
7BXF
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BU of 7bxf by Molmil
MvcA-Lpg2149 complex
分子名称: Lpg2149, MvcA, PRASEODYMIUM ION
著者Gao, P.
登録日2020-04-19
公開日2020-05-20
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Insights into catalysis and regulation of non-canonical ubiquitination and deubiquitination by bacterial deamidase effectors.
Nat Commun, 11, 2020
6AE8
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BU of 6ae8 by Molmil
Structure insight into histone chaperone Chz1-mediated H2A.Z recognition and replacement
分子名称: BICINE, Histone H2A.Z-specific chaperone CHZ1, Histone H2B.1,Histone H2A.Z
著者Wang, Y.Y, Shan, S, Zhou, Z.
登録日2018-08-03
公開日2019-04-17
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Structural insights into histone chaperone Chz1-mediated H2A.Z recognition and histone replacement.
Plos Biol., 17, 2019
4QOC
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BU of 4qoc by Molmil
crystal structure of compound 16 bound to MDM2(17-111), {(3R,5R,6S)-5-(3-CHLOROPHENYL)-6-(4-CHLOROPHENYL)-1-[(1S)-1-CYCLOPROPYL-2-(PYRROLIDIN-1-YLSULFONYL)ETHYL]-3-METHYL-2-OXOPIPERIDIN-3-YL}ACETIC ACID
分子名称: E3 ubiquitin-protein ligase Mdm2, {(3R,5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-1-[(1S)-1-cyclopropyl-2-(pyrrolidin-1-ylsulfonyl)ethyl]-3-methyl-2-oxopiperidin-3-yl}acetic acid
著者Huang, X.
登録日2014-06-19
公開日2015-05-06
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Optimization beyond AMG 232: discovery and SAR of sulfonamides on a piperidinone scaffold as potent inhibitors of the MDM2-p53 protein-protein interaction.
Bioorg.Med.Chem.Lett., 24, 2014
3TSY
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BU of 3tsy by Molmil
4-Coumaroyl-CoA Ligase::Stilbene Synthase fusion protein
分子名称: Fusion Protein 4-coumarate--CoA ligase 1, Resveratrol synthase
著者Yi, H, Jez, J.M.
登録日2011-09-13
公開日2011-12-14
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Structural and Kinetic Analysis of the Unnatural Fusion Protein 4-Coumaroyl-CoA Ligase::Stilbene Synthase.
J.Am.Chem.Soc., 133, 2011
2M9M
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BU of 2m9m by Molmil
Solution Structure of ERCC4 domain of human FAAP24
分子名称: Fanconi anemia-associated protein of 24 kDa
著者Wu, F, Han, X, Shi, C, Gong, W, Tian, C.
登録日2013-06-18
公開日2013-09-18
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Structure analysis of FAAP24 reveals single-stranded DNA-binding activity and domain functions in DNA damage response.
Cell Res., 23, 2013
2M9N
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BU of 2m9n by Molmil
Solution Structure of (HhH)2 domain of human FAAP24
分子名称: Fanconi anemia-associated protein of 24 kDa
著者Wu, F, Han, X, Shi, C, Gong, W, Tian, C.
登録日2013-06-18
公開日2013-09-18
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Structure analysis of FAAP24 reveals single-stranded DNA-binding activity and domain functions in DNA damage response.
Cell Res., 23, 2013
7XCZ
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BU of 7xcz by Molmil
Cryo-EM structure of SARS-CoV-2 Delta RBD in complex with BA7054 and BA7125 fab (local refinement)
分子名称: BA7054 fab, BA7125 fab, Spike glycoprotein
著者Liu, Z, Liu, S.
登録日2022-03-26
公開日2023-03-01
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Biparatopic antibody BA7208/7125 effectively neutralizes SARS-CoV-2 variants including Omicron BA.1-BA.5.
Cell Discov, 9, 2023
7XDK
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BU of 7xdk by Molmil
Cryo-EM structure of SARS-CoV-2 Delta Spike protein in complex with BA7054 and BA7125 fab
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, BA7054 fab, ...
著者Liu, Z, Lui, S, Gao, Y.
登録日2022-03-27
公開日2023-03-01
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Biparatopic antibody BA7208/7125 effectively neutralizes SARS-CoV-2 variants including Omicron BA.1-BA.5.
Cell Discov, 9, 2023
7XDA
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BU of 7xda by Molmil
Cryo-EM structure of SARS-CoV-2 Delta RBD in complex with BA7208 and BA7125 fab (local refinement)
分子名称: BA7125 fab, BA7208 fab, Spike glycoprotein
著者Liu, Z, Liu, S, Liu, S.
登録日2022-03-26
公開日2023-03-01
実験手法ELECTRON MICROSCOPY (2.98 Å)
主引用文献Biparatopic antibody BA7208/7125 effectively neutralizes SARS-CoV-2 variants including Omicron BA.1-BA.5.
Cell Discov, 9, 2023
7XDB
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BU of 7xdb by Molmil
Cryo-EM structure of SARS-CoV-2 Omicron Spike protein in complex with BA7208 fab
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, BA7208 fab, ...
著者Liu, Z, Liu, S, Gao, Y.Z.
登録日2022-03-26
公開日2023-03-01
実験手法ELECTRON MICROSCOPY (2.62 Å)
主引用文献Biparatopic antibody BA7208/7125 effectively neutralizes SARS-CoV-2 variants including Omicron BA.1-BA.5.
Cell Discov, 9, 2023

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