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7T9U
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BU of 7t9u by Molmil
Crystal structure of hSTING with an agonist (SHR169224)
分子名称: (3S,4S)-2-[(1-ethyl-3-methyl-1H-pyrazole-5-carbonyl)amino]-4-(prop-2-en-1-yl)-4,5-dihydroimidazo[1,5,4-de][1,4]benzoxazine-8-carboxamide, CALCIUM ION, Stimulator of interferon genes protein
著者Chowdhury, R, Miller, M.
登録日2021-12-20
公開日2022-12-21
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.46 Å)
主引用文献SHR1032, a novel STING agonist, stimulates anti-tumor immunity and directly induces AML apoptosis.
Sci Rep, 12, 2022
4FIH
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BU of 4fih by Molmil
Catalytic domain of human PAK4 with QKFTGLPRQW peptide
分子名称: Serine/threonine-protein kinase PAK 4
著者Ha, B.H, Boggon, T.J.
登録日2012-06-08
公開日2012-09-12
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Type II p21-activated kinases (PAKs) are regulated by an autoinhibitory pseudosubstrate.
Proc.Natl.Acad.Sci.USA, 109, 2012
4FIJ
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BU of 4fij by Molmil
Catalytic domain of human PAK4
分子名称: Serine/threonine-protein kinase PAK 4
著者Ha, B.H, Boggon, T.J.
登録日2012-06-08
公開日2012-09-12
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Type II p21-activated kinases (PAKs) are regulated by an autoinhibitory pseudosubstrate.
Proc.Natl.Acad.Sci.USA, 109, 2012
4FIE
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BU of 4fie by Molmil
Full-length human PAK4
分子名称: PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Serine/threonine-protein kinase PAK 4
著者Ha, B.H, Boggon, T.J.
登録日2012-06-08
公開日2012-09-12
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (3.11 Å)
主引用文献Type II p21-activated kinases (PAKs) are regulated by an autoinhibitory pseudosubstrate.
Proc.Natl.Acad.Sci.USA, 109, 2012
4FIG
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BU of 4fig by Molmil
Catalytic domain of human PAK4
分子名称: MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Serine/threonine-protein kinase PAK 4
著者Ha, B.H, Boggon, T.J.
登録日2012-06-08
公開日2012-09-12
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (3.01 Å)
主引用文献Type II p21-activated kinases (PAKs) are regulated by an autoinhibitory pseudosubstrate.
Proc.Natl.Acad.Sci.USA, 109, 2012
6WZT
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BU of 6wzt by Molmil
CryoEM structure of influenza hemagglutinin A/Victoria/361/2011 in complex with cyno antibody 3B10
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, Cyno antibody heavy chain, ...
著者Qiu, Y, Zhou, Y, Darricarrere, N.
登録日2020-05-14
公開日2021-03-10
最終更新日2021-03-17
実験手法ELECTRON MICROSCOPY (4.4 Å)
主引用文献Broad neutralization of H1 and H3 viruses by adjuvanted influenza HA stem vaccines in nonhuman primates.
Sci Transl Med, 13, 2021
3BV2
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BU of 3bv2 by Molmil
Morpholino pyrrolotriazine P38 Alpha map kinase inhibitor compound 30
分子名称: 5-methyl-4-[(2-methyl-5-{[(2-morpholin-4-ylpyridin-4-yl)carbonyl]amino}phenyl)amino]-N-(1-phenylethenyl)pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide, Mitogen-activated protein kinase 14
著者Sack, J.S.
登録日2008-01-04
公開日2008-04-08
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Synthesis and SAR of new pyrrolo[2,1-f][1,2,4]triazines as potent p38 alpha MAP kinase inhibitors.
Bioorg.Med.Chem.Lett., 18, 2008
3BV3
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BU of 3bv3 by Molmil
Morpholino pyrrolotriazine P38 Alpha Map Kinase inhibitor compound 2
分子名称: 5-methyl-4-[(2-methyl-5-{[(3-morpholin-4-ylphenyl)carbonyl]amino}phenyl)amino]-N-[(1S)-1-phenylethyl]pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide, Mitogen-activated protein kinase 14
著者Sack, J.S.
登録日2008-01-04
公開日2008-04-15
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.59 Å)
主引用文献Synthesis and SAR of new pyrrolo[2,1-f][1,2,4]triazines as potent p38 alpha MAP kinase inhibitors.
Bioorg.Med.Chem.Lett., 18, 2008
7YTD
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BU of 7ytd by Molmil
Cryo-EM structure of four human FcmR bound to IgM-Fc/J
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Fas apoptotic inhibitory molecule 3, Immunoglobulin J chain, ...
著者Li, Y, Shen, H, Xiao, J.
登録日2022-08-14
公開日2023-02-01
最終更新日2023-05-03
実験手法ELECTRON MICROSCOPY (3.71 Å)
主引用文献Immunoglobulin M perception by Fc mu R.
Nature, 615, 2023
7YSG
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BU of 7ysg by Molmil
Cryo-EM structure of human FcmR bound to sIgM
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, Fas apoptotic inhibitory molecule 3, ...
著者Li, Y, Shen, H, Xiao, J.
登録日2022-08-12
公開日2023-02-01
最終更新日2023-05-03
実験手法ELECTRON MICROSCOPY (3.18 Å)
主引用文献Immunoglobulin M perception by Fc mu R.
Nature, 615, 2023
7YTC
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BU of 7ytc by Molmil
Cryo-EM structure of human FcmR bound to IgM-Fc/J
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Fas apoptotic inhibitory molecule 3, Immunoglobulin J chain, ...
著者Li, Y, Shen, H, Xiao, J.
登録日2022-08-14
公開日2023-02-01
最終更新日2023-05-03
実験手法ELECTRON MICROSCOPY (3.39 Å)
主引用文献Immunoglobulin M perception by Fc mu R.
Nature, 615, 2023
7YTE
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BU of 7yte by Molmil
crystal structure of human FcmR-D1 bound to IgM C4-domain
分子名称: Fas apoptotic inhibitory molecule 3, Ig mu chain C region secreted form
著者Li, Y, Shen, H, Xiao, J.
登録日2022-08-14
公開日2023-02-01
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Immunoglobulin M perception by Fc mu R.
Nature, 615, 2023
2QMX
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BU of 2qmx by Molmil
The crystal structure of L-Phe inhibited prephenate dehydratase from Chlorobium tepidum TLS
分子名称: 1,2-ETHANEDIOL, ACETATE ION, PHENYLALANINE, ...
著者Tan, K, Li, H, Clancy, S, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
登録日2007-07-17
公開日2007-08-07
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structures of open (R) and close (T) states of prephenate dehydratase (PDT) - implication of allosteric regulation by L-phenylalanine.
J.Struct.Biol., 162, 2008
8HKE
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BU of 8hke by Molmil
dsRNA transporter
分子名称: RNA (37-MER), Systemic RNA interference defective protein 1, ZINC ION
著者Jiang, D.H, Zhang, J.T.
登録日2022-11-25
公開日2023-11-29
最終更新日2024-05-08
実験手法ELECTRON MICROSCOPY (3.71 Å)
主引用文献Structural insights into double-stranded RNA recognition and transport by SID-1.
Nat.Struct.Mol.Biol., 2024
8HIP
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BU of 8hip by Molmil
dsRNA transporter
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Systemic RNA interference defective protein 1, ZINC ION, ...
著者Jiang, D.H, Zhang, J.T.
登録日2022-11-21
公開日2023-11-29
最終更新日2024-05-08
実験手法ELECTRON MICROSCOPY (2.77 Å)
主引用文献Structural insights into double-stranded RNA recognition and transport by SID-1.
Nat.Struct.Mol.Biol., 2024
6KX3
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BU of 6kx3 by Molmil
Crystal structure of RhoA protein with covalent inhibitor DC-Rhoin
分子名称: GUANOSINE-5'-DIPHOSPHATE, Transforming protein RhoA, prop-2-enyl (3R)-1,1-bis(oxidanylidene)-2,3-dihydro-1-benzothiophene-3-carboxylate
著者Zhang, H, Luo, C.
登録日2019-09-09
公開日2020-08-19
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.981 Å)
主引用文献Covalent Inhibitors Allosterically Block the Activation of Rho Family Proteins and Suppress Cancer Cell Invasion.
Adv Sci, 7, 2020
6KX2
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BU of 6kx2 by Molmil
Crystal structure of GDP bound RhoA protein
分子名称: GUANOSINE-5'-DIPHOSPHATE, Transforming protein RhoA
著者Zhang, H, Luo, C.
登録日2019-09-09
公開日2020-08-19
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.454 Å)
主引用文献Covalent Inhibitors Allosterically Block the Activation of Rho Family Proteins and Suppress Cancer Cell Invasion.
Adv Sci, 7, 2020
4S1G
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BU of 4s1g by Molmil
Renin in complex with (S)-1-(3-fluoro-5-(((S)-1-phenylethyl)carbamoyl)benzyl)-4-isopropyl-4-methyl-6-oxotetrahydropyrimidin-2(1H)-iminium
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-{[(4S)-2-amino-4-methyl-6-oxo-4-(propan-2-yl)-5,6-dihydropyrimidin-1(4H)-yl]methyl}-5-fluoro-N-[(1S)-1-phenylethyl]benzamide, Renin
著者Orth, P.
登録日2015-01-13
公開日2015-02-25
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Iminopyrimidinones: A novel pharmacophore for the development of orally active renin inhibitors.
Bioorg.Med.Chem.Lett., 25, 2015
4XX1
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BU of 4xx1 by Molmil
Low resolution structure of LCAT in complex with Fab1
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Fab1 heavy chain, Fab1 light chain, ...
著者Piper, D.E, Walker, N.P.C, Romanow, W.G, Thibault, S.T.
登録日2015-01-29
公開日2015-07-29
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3.6 Å)
主引用文献The high-resolution crystal structure of human LCAT.
J.Lipid Res., 56, 2015
3KDU
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BU of 3kdu by Molmil
Crystal structure of peroxisome proliferator-activatedeceptor alpha (PPARalpha) complex with N-3-((2-(4-Chlorophenyl)-5-methyl-1,3-oxazol-4-yl)methoxy)benzyl)-N-((4-methylphenoxy)carbonyl)glycine
分子名称: N-(3-{[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy}benzyl)-N-[(4-methylphenoxy)carbonyl]glycine, Peroxisome proliferator-activated receptor alpha
著者Muckelbauer, J.K.
登録日2009-10-23
公開日2010-04-28
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献Discovery of an oxybenzylglycine based peroxisome proliferator activated receptor alpha selective agonist 2-((3-((2-(4-chlorophenyl)-5-methyloxazol-4-yl)methoxy)benzyl)(methoxycarbonyl)amino)acetic acid (BMS-687453).
J.Med.Chem., 53, 2010
3KDT
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BU of 3kdt by Molmil
Crystal structure of peroxisome proliferator-activatedeceptor alpha (PPARalpha) complex with N-3-((2-(4-Chlorophenyl)-5-methyl-1,3-oxazol-4-yl)methoxy)benzyl)-N-(methoxycarbonyl)glycine
分子名称: N-(3-{[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy}benzyl)-N-(methoxycarbonyl)glycine, Peroxisome proliferator-activated receptor alpha
著者Muckelbauer, J.K.
登録日2009-10-23
公開日2010-04-28
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Discovery of an oxybenzylglycine based peroxisome proliferator activated receptor alpha selective agonist 2-((3-((2-(4-chlorophenyl)-5-methyloxazol-4-yl)methoxy)benzyl)(methoxycarbonyl)amino)acetic acid (BMS-687453).
J.Med.Chem., 53, 2010
7ST4
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BU of 7st4 by Molmil
Calcium-saturated jGCaMP8.410.80
分子名称: CALCIUM ION, GLYCEROL, L(+)-TARTARIC ACID, ...
著者Zhang, Y, Looger, L.L.
登録日2021-11-11
公開日2022-11-16
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Fast and sensitive GCaMP calcium indicators for imaging neural populations
Nature, 615, 2023
4EMP
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BU of 4emp by Molmil
Crystal structure of the mutant of ClpP E137A from Staphylococcus aureus
分子名称: ATP-dependent Clp protease proteolytic subunit
著者Ye, F, Zhang, J, Liu, H, Luo, C, Yang, C.-G.
登録日2012-04-12
公開日2013-04-17
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Helix unfolding/refolding characterizes the functional dynamics of Staphylococcus aureus Clp protease
J.Biol.Chem., 288, 2013
4EMM
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BU of 4emm by Molmil
Crystal structure of Staphylococcus aureus ClpP in compact conformation
分子名称: ATP-dependent Clp protease proteolytic subunit
著者Zhang, J, Liu, H, Yang, C.-G.
登録日2012-04-12
公開日2013-04-17
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Helix unfolding/refolding characterizes the functional dynamics of Staphylococcus aureus Clp protease
J.Biol.Chem., 288, 2013
8USS
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BU of 8uss by Molmil
IL17A complexed to Compound 7
分子名称: 4,5-dichloro-N-[(1S)-1-cyclohexyl-2-{[(3S)-5-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzoxazepin-3-yl]amino}-2-oxoethyl]-1H-pyrrole-2-carboxamide, CHLORIDE ION, Interleukin-17A
著者Argiriadi, M.A, Ramos, A.L.
登録日2023-10-29
公開日2024-04-03
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.47 Å)
主引用文献Discovery of Small Molecule Interleukin 17A Inhibitors with Novel Binding Mode and Stoichiometry: Optimization of DNA-Encoded Chemical Library Hits to In Vivo Active Compounds.
J.Med.Chem., 67, 2024

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