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6Q7T
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BU of 6q7t by Molmil
ERK2 mini-fragment binding
分子名称: 1,2-oxazol-3-amine, Mitogen-activated protein kinase 1, SULFATE ION
著者O'Reilly, M, Cleasby, A, Davies, T.G, Hall, R, Ludlow, F, Murray, C.W, Tisi, D, Jhoti, H.
登録日2018-12-13
公開日2019-06-26
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Crystallographic screening using ultra-low-molecular-weight ligands to guide drug design.
Drug Discov Today, 24, 2019
6Q7S
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BU of 6q7s by Molmil
ERK2 mini-fragment binding
分子名称: Mitogen-activated protein kinase 1, PHENOL, SULFATE ION
著者O'Reilly, M, Cleasby, A, Davies, T.G, Hall, R, Ludlow, F, Murray, C.W, Tisi, D, Jhoti, H.
登録日2018-12-13
公開日2019-06-26
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献Crystallographic screening using ultra-low-molecular-weight ligands to guide drug design.
Drug Discov Today, 24, 2019
6Q7K
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BU of 6q7k by Molmil
ERK2 mini-fragment binding
分子名称: 1H-imidazol-2-amine, Mitogen-activated protein kinase 1, SULFATE ION
著者O'Reilly, M, Cleasby, A, Davies, T.G, Hall, R, Ludlow, F, Murray, C.W, Tisi, D, Jhoti, H.
登録日2018-12-13
公開日2019-03-27
最終更新日2019-05-22
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Crystallographic screening using ultra-low-molecular-weight ligands to guide drug design.
Drug Discov Today, 24, 2019
6Q0T
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BU of 6q0t by Molmil
Structure of a MAPK pathway complex
分子名称: 14-3-3 protein zeta, 5-[(2-fluoro-4-iodophenyl)amino]-N-(2-hydroxyethoxy)imidazo[1,5-a]pyridine-6-carboxamide, Dual specificity mitogen-activated protein kinase kinase 1, ...
著者Park, E, Rawson, S, Jeon, H, Eck, M.J.
登録日2019-08-02
公開日2019-10-09
最終更新日2020-04-22
実験手法ELECTRON MICROSCOPY (5.7 Å)
主引用文献Architecture of autoinhibited and active BRAF-MEK1-14-3-3 complexes.
Nature, 575, 2019
6Q0K
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BU of 6q0k by Molmil
Structure of a MAPK pathway complex
分子名称: 14-3-3 protein zeta/delta, Serine/threonine-protein kinase B-raf
著者Park, E, Rawson, S, Jeon, H, Eck, M.J.
登録日2019-08-01
公開日2019-10-09
最終更新日2020-04-22
実験手法ELECTRON MICROSCOPY (6.8 Å)
主引用文献Architecture of autoinhibited and active BRAF-MEK1-14-3-3 complexes.
Nature, 575, 2019
6Q0J
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BU of 6q0j by Molmil
Structure of a MAPK pathway complex
分子名称: 14-3-3 protein zeta, 5-[(2-fluoro-4-iodophenyl)amino]-N-(2-hydroxyethoxy)imidazo[1,5-a]pyridine-6-carboxamide, Dual specificity mitogen-activated protein kinase kinase 1, ...
著者Park, E, Rawson, S, Jeon, H, Eck, M.J.
登録日2019-08-01
公開日2019-10-09
最終更新日2020-04-22
実験手法ELECTRON MICROSCOPY (4.9 Å)
主引用文献Architecture of autoinhibited and active BRAF-MEK1-14-3-3 complexes.
Nature, 575, 2019
6PZA
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BU of 6pza by Molmil
Cryo-EM structure of the pancreatic beta-cell SUR1 bound to ATP and glibenclamide
分子名称: 5-chloro-N-(2-{4-[(cyclohexylcarbamoyl)sulfamoyl]phenyl}ethyl)-2-methoxybenzamide, ADENOSINE-5'-TRIPHOSPHATE, ATP-binding cassette sub-family C member 8, ...
著者Shyng, S.L, Yoshioka, C, Martin, G.M, Sung, M.W.
登録日2019-07-31
公開日2019-08-14
最終更新日2020-10-07
実験手法ELECTRON MICROSCOPY (3.74 Å)
主引用文献Mechanism of pharmacochaperoning in a mammalian K ATP channel revealed by cryo-EM.
Elife, 8, 2019
6PZ9
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BU of 6pz9 by Molmil
Cryo-EM structure of the pancreatic beta-cell SUR1 bound to ATP and repaglinide
分子名称: ADENOSINE-5'-TRIPHOSPHATE, ATP-binding cassette sub-family C member 8, ATP-sensitive inward rectifier potassium channel 11, ...
著者Shyng, S.L, Yoshioka, C, Martin, G.M, Sung, M.W.
登録日2019-07-31
公開日2019-08-14
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (3.65 Å)
主引用文献Mechanism of pharmacochaperoning in a mammalian K ATP channel revealed by cryo-EM.
Elife, 8, 2019
6PU1
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BU of 6pu1 by Molmil
Cysteine stabilized hexameric HIV-1 CA in complex with SEC24C peptide
分子名称: CHLORIDE ION, Gag polyprotein, IODIDE ION, ...
著者Lindenberger, J.J, Kvaratskhelia, M.
登録日2019-07-16
公開日2021-01-06
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献Cysteine stabilized hexameric HIV-1 CA in complex with SEC24C peptide
To Be Published
6PP9
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BU of 6pp9 by Molmil
Crystal structure of BRAF:MEK1 complex
分子名称: 5-[(2-fluoro-4-iodophenyl)amino]-N-(2-hydroxyethoxy)imidazo[1,5-a]pyridine-6-carboxamide, CHLORIDE ION, Dual specificity mitogen-activated protein kinase kinase 1, ...
著者Li, K, Gonzalez Del-Pino, G, Park, E, Eck, M.J.
登録日2019-07-05
公開日2019-10-09
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.59 Å)
主引用文献Architecture of autoinhibited and active BRAF-MEK1-14-3-3 complexes.
Nature, 575, 2019
6OTS
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BU of 6ots by Molmil
Rat ERK2 E320K
分子名称: Mitogen-activated protein kinase 1
著者Taylor, C.A, Cormier, K.W, Juang, Y.-C, Goldsmith, E.J, Cobb, M.H.
登録日2019-05-03
公開日2019-07-10
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Functional divergence caused by mutations in an energetic hotspot in ERK2.
Proc.Natl.Acad.Sci.USA, 116, 2019
6OT6
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BU of 6ot6 by Molmil
Rat ERK2 D319N
分子名称: Mitogen-activated protein kinase 1, SULFATE ION
著者Taylor, C.A, Goldsmith, E.J, Cobb, M.H.
登録日2019-05-02
公開日2019-07-10
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Functional divergence caused by mutations in an energetic hotspot in ERK2.
Proc.Natl.Acad.Sci.USA, 116, 2019
6OPK
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BU of 6opk by Molmil
Phosphorylated ERK2 with Vertex-11e
分子名称: 4-{2-[(2-chloro-4-fluorophenyl)amino]-5-methylpyrimidin-4-yl}-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-1H-pyrrole-2-carboxamide, Mitogen-activated protein kinase 1
著者Vigers, G.P, Rudolph, J.
登録日2019-04-25
公開日2019-07-31
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.54 Å)
主引用文献Activation loop dynamics are controlled by conformation-selective inhibitors of ERK2.
Proc.Natl.Acad.Sci.USA, 116, 2019
6OPI
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BU of 6opi by Molmil
phosphorylated ERK2 with SCH-CPD336
分子名称: (3R)-N-[3-(2-cyclopropylpyridin-4-yl)-1H-indazol-5-yl]-3-(methoxymethyl)-1-(2-oxo-2-{4-[4-(pyrimidin-2-yl)phenyl]-3,6-dihydropyridin-1(2H)-yl}ethyl)pyrrolidine-3-carboxamide, Mitogen-activated protein kinase 1
著者Vigers, G.P, Smith, D.
登録日2019-04-25
公開日2019-07-31
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Activation loop dynamics are controlled by conformation-selective inhibitors of ERK2.
Proc.Natl.Acad.Sci.USA, 116, 2019
6OPH
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BU of 6oph by Molmil
phosphorylated ERK2 with GDC-0994
分子名称: 1-[(1~{S})-1-(4-chloranyl-3-fluoranyl-phenyl)-2-oxidanyl-ethyl]-4-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]pyridin-2-one, Mitogen-activated protein kinase 1
著者Vigers, G.P, Smith, D.
登録日2019-04-25
公開日2019-07-31
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Activation loop dynamics are controlled by conformation-selective inhibitors of ERK2.
Proc.Natl.Acad.Sci.USA, 116, 2019
6OPG
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BU of 6opg by Molmil
phosphorylated ERK2 with AMP-PNP
分子名称: MAGNESIUM ION, Mitogen-activated protein kinase 1, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
著者Vigers, G.P, Smith, D.
登録日2019-04-25
公開日2019-07-31
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Activation loop dynamics are controlled by conformation-selective inhibitors of ERK2.
Proc.Natl.Acad.Sci.USA, 116, 2019
6OMT
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BU of 6omt by Molmil
HIV-1 capsid hexamer R18D mutant
分子名称: Capsid protein
著者Huang, P, Summers, B.J, Xiong, Y.
登録日2019-04-19
公開日2019-08-21
最終更新日2019-11-27
実験手法X-RAY DIFFRACTION (2.052 Å)
主引用文献FEZ1 Is Recruited to a Conserved Cofactor Site on Capsid to Promote HIV-1 Trafficking.
Cell Rep, 28, 2019
6OBH
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BU of 6obh by Molmil
Structure of HIV-1 CA 1/2-hexamer
分子名称: CA, SODIUM ION
著者Summers, B.J, Xiong, Y.
登録日2019-03-20
公開日2019-08-28
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.96 Å)
主引用文献Modular HIV-1 Capsid Assemblies Reveal Diverse Host-Capsid Recognition Mechanisms.
Cell Host Microbe, 26, 2019
6NYB
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BU of 6nyb by Molmil
Structure of a MAPK pathway complex
分子名称: 14-3-3 protein zeta, 5-[(2-fluoro-4-iodophenyl)amino]-N-(2-hydroxyethoxy)imidazo[1,5-a]pyridine-6-carboxamide, ADENOSINE-5'-DIPHOSPHATE, ...
著者Park, E, Rawson, S, Li, K, Jeon, H, Eck, M.J.
登録日2019-02-11
公開日2019-10-09
最終更新日2020-04-22
実験手法ELECTRON MICROSCOPY (4.1 Å)
主引用文献Architecture of autoinhibited and active BRAF-MEK1-14-3-3 complexes.
Nature, 575, 2019
6NBS
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BU of 6nbs by Molmil
WT ERK2 with compound 2507-8
分子名称: (5S)-5-benzyl-4,5-dihydro-1H-imidazol-2-amine, GLYCEROL, Mitogen-activated protein kinase 1, ...
著者Sammons, R.M, Perry, N.A, Cho, E.J, Kaoud, T.S, Zamora-Olivares, D.P, Piserchio, A, Houghten, R.A, Giulianotti, M, Li, Y, Debevec, G, Gurevich, V.V, Ghose, R, Iverson, T.M, Dalby, K.N.
登録日2018-12-10
公開日2019-07-31
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献A Novel Class of Common Docking Domain Inhibitors That Prevent ERK2 Activation and Substrate Phosphorylation.
Acs Chem.Biol., 14, 2019
6MS4
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BU of 6ms4 by Molmil
Crystal structure of the DENR-MCT-1 complex
分子名称: Density-regulated protein, GLYCEROL, Malignant T-cell-amplified sequence 1, ...
著者Lomakin, I.B, Steitz, T.A, Dmitriev, S.E.
登録日2018-10-16
公開日2019-01-02
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.001 Å)
主引用文献Crystal structure of the DENR-MCT-1 complex revealed zinc-binding site essential for heterodimer formation.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
6MQP
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BU of 6mqp by Molmil
Structure of HIV-1 CA T210K
分子名称: CHLORIDE ION, Capsid protein, IODIDE ION
著者Smaga, S.S, Xiong, Y.
登録日2018-10-10
公開日2019-06-19
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.296 Å)
主引用文献MxB Restricts HIV-1 by Targeting the Tri-hexamer Interface of the Viral Capsid.
Structure, 27, 2019
6MQO
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BU of 6mqo by Molmil
Structure of HIV-1 CA G208R
分子名称: Capsid protein, IODIDE ION
著者Smaga, S.S, Xiong, Y.
登録日2018-10-10
公開日2019-06-19
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献MxB Restricts HIV-1 by Targeting the Tri-hexamer Interface of the Viral Capsid.
Structure, 27, 2019
6MQA
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BU of 6mqa by Molmil
Structure of HIV-1 CA P207S
分子名称: CHLORIDE ION, Capsid protein, IODIDE ION
著者Smaga, S.S, Xiong, Y.
登録日2018-10-09
公開日2019-06-19
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.199 Å)
主引用文献MxB Restricts HIV-1 by Targeting the Tri-hexamer Interface of the Viral Capsid.
Structure, 27, 2019
6KZJ
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BU of 6kzj by Molmil
Crystal structure of Ankyrin B/NdeL1 complex
分子名称: Ankyrin-2, Nuclear distribution protein nudE-like 1
著者Ye, J, Li, J, Ye, F, Zhang, M, Zhang, Y, Wang, C.
登録日2019-09-24
公開日2020-01-15
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Mechanistic insights into the interactions of dynein regulator Ndel1 with neuronal ankyrins and implications in polarity maintenance.
Proc.Natl.Acad.Sci.USA, 117, 2020

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