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4S2Z
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BU of 4s2z by Molmil
ERK2 Intrinsically active mutant R65S
分子名称: Mitogen-activated protein kinase 1
著者Livnah, O, Karamansha, Y.
登録日2015-01-25
公開日2016-01-27
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.48 Å)
主引用文献Multiple mechanisms render Erk proteins MEK-independent
To be Published
4S34
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BU of 4s34 by Molmil
ERK2 (I84A) in complex with AMP-PNP
分子名称: MAGNESIUM ION, Mitogen-activated protein kinase 1, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
著者Livnah, O, Karamansha, Y, Tzarum, N.
登録日2015-01-26
公開日2016-01-27
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Multiple mechanisms render Erk proteins MEK-independent
To be Published
4S32
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BU of 4s32 by Molmil
Crystal structure of ERK2 AMP-PNP complex
分子名称: MAGNESIUM ION, Mitogen-activated protein kinase 1, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
著者Livnah, O, Karamansha, Y, Tzarum, N.
登録日2015-01-26
公開日2016-01-27
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.34 Å)
主引用文献Crystal structure of ERK2 AMP-PNP complex
To be Published
4S30
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BU of 4s30 by Molmil
ERK2 intrinsically active mutant (I84A)
分子名称: Mitogen-activated protein kinase 1
著者Livnah, O, Karamansha, Y.
登録日2015-01-26
公開日2016-01-27
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Multiple mechanisms render Erk proteins MEK-independent
To be Published
4S31
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BU of 4s31 by Molmil
Crystal structure of mitogen-activated protein kinase 1 wtERK2 at 1.45A
分子名称: Mitogen-activated protein kinase 1
著者Livnah, O, Karamansha, Y.
登録日2015-01-26
公開日2016-01-27
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Multiple mechanisms render Erk proteins MEK-independent
To be Published
4S33
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BU of 4s33 by Molmil
ERK2 R65S mutant complexed with AMP-PNP
分子名称: MAGNESIUM ION, Mitogen-activated protein kinase 1, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
著者Livnah, O, Karamansha, Y, Tzarum, N.
登録日2015-01-26
公開日2016-01-27
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.48 Å)
主引用文献Multiple mechanisms render Erk proteins MEK-independent
To be Published
4U81
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BU of 4u81 by Molmil
MEK1 Kinase bound to small molecule inhibitor G659
分子名称: 8-[(4-cyclopropyl-2-fluorophenyl)amino]-N-(2-hydroxyethoxy)imidazo[1,5-a]pyridine-7-carboxamide, Dual specificity mitogen-activated protein kinase kinase 1, MAGNESIUM ION, ...
著者Robarge, K.D, Ultsch, M.H, Weismann, C.
登録日2014-07-31
公開日2014-09-24
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.701 Å)
主引用文献Structure based design of novel 6,5 heterobicyclic mitogen-activated protein kinase kinase (MEK) inhibitors leading to the discovery of imidazo[1,5-a] pyrazine G-479.
Bioorg.Med.Chem.Lett., 24, 2014
4U0C
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BU of 4u0c by Molmil
Hexameric HIV-1 CA in complex with Nup153 peptide, P6 crystal form
分子名称: Capsid protein p24, Nuclear pore complex protein Nup153
著者Price, A.J, Jacques, D.A, James, L.C.
登録日2014-07-11
公開日2014-11-12
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献Host Cofactors and Pharmacologic Ligands Share an Essential Interface in HIV-1 Capsid That Is Lost upon Disassembly.
Plos Pathog., 10, 2014
4U0A
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BU of 4u0a by Molmil
Hexameric HIV-1 CA in complex with CPSF6 peptide, P6 crystal form
分子名称: CHLORIDE ION, Capsid protein p24, Cleavage and polyadenylation specificity factor subunit 6
著者Price, A.J, Jacques, D.A, James, L.C.
登録日2014-07-11
公開日2014-11-12
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Host Cofactors and Pharmacologic Ligands Share an Essential Interface in HIV-1 Capsid That Is Lost upon Disassembly.
Plos Pathog., 10, 2014
4U0E
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BU of 4u0e by Molmil
Hexameric HIV-1 CA in complex with PF3450074
分子名称: CHLORIDE ION, Capsid protein p24, N-METHYL-NALPHA-[(2-METHYL-1H-INDOL-3-YL)ACETYL]-N-PHENYL-L-PHENYLALANINAMIDE
著者Price, A.J, Jacques, D.A, James, L.C.
登録日2014-07-11
公開日2014-11-12
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.043 Å)
主引用文献Host Cofactors and Pharmacologic Ligands Share an Essential Interface in HIV-1 Capsid That Is Lost upon Disassembly.
Plos Pathog., 10, 2014
4UED
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BU of 4ued by Molmil
Complex of human eIF4E with the 4E binding protein 4E-BP1
分子名称: EUKARYOTIC TRANSLATION FACTOR 4E-BINDING PROTEIN 1, EUKARYOTIC TRANSLATION INITIATION FACTOR 4E
著者Peter, D, Weichenrieder, O.
登録日2014-12-16
公開日2015-02-25
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Molecular Architecture of 4E-BP Translational Inhibitors Bound to Eif4E.
Mol.Cell, 57, 2015
4U7Z
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BU of 4u7z by Molmil
Mitogen-Activated Protein Kinase Kinase (MEK1) bound to G805
分子名称: 5-[(4-bromo-2-chlorophenyl)amino]-4-fluoro-N-(2-hydroxyethoxy)-1-methyl-1H-benzimidazole-6-carboxamide, Dual specificity mitogen-activated protein kinase kinase 1, MAGNESIUM ION, ...
著者Robarge, K.D, Ultsch, M.H, Wiesmann, C.
登録日2014-07-31
公開日2014-09-24
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.805 Å)
主引用文献Structure based design of novel 6,5 heterobicyclic mitogen-activated protein kinase kinase (MEK) inhibitors leading to the discovery of imidazo[1,5-a] pyrazine G-479.
Bioorg.Med.Chem.Lett., 24, 2014
4U80
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BU of 4u80 by Molmil
MEK 1 kinase bound to G799
分子名称: 3-[(4-cyclopropyl-2-fluorophenyl)amino]-N-(2-hydroxyethoxy)furo[3,2-c]pyridine-2-carboxamide, Dual specificity mitogen-activated protein kinase kinase 1, MAGNESIUM ION, ...
著者Ultsch, M.H, Robarge, K.D, Weismann, C.
登録日2014-07-31
公開日2014-09-24
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structure based design of novel 6,5 heterobicyclic mitogen-activated protein kinase kinase (MEK) inhibitors leading to the discovery of imidazo[1,5-a] pyrazine G-479.
Bioorg.Med.Chem.Lett., 24, 2014
4U0F
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BU of 4u0f by Molmil
Hexameric HIV-1 CA in Complex with BI-2
分子名称: (4S)-4-(4-hydroxyphenyl)-3-phenyl-4,5-dihydropyrrolo[3,4-c]pyrazol-6(1H)-one, 1,2-ETHANEDIOL, Capsid protein p24
著者Price, A.J, Jacques, D.A, James, L.C.
登録日2014-07-11
公開日2014-11-12
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.22 Å)
主引用文献Host Cofactors and Pharmacologic Ligands Share an Essential Interface in HIV-1 Capsid That Is Lost upon Disassembly.
Plos Pathog., 10, 2014
4U0B
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BU of 4u0b by Molmil
Hexamer HIV-1 CA in complex with CPSF6 peptide, P212121 crystal form
分子名称: Capsid protein p24, Cleavage and polyadenylation specificity factor subunit 6
著者Price, A.J, Jacques, D.A, James, L.C.
登録日2014-07-11
公開日2014-11-12
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Host Cofactors and Pharmacologic Ligands Share an Essential Interface in HIV-1 Capsid That Is Lost upon Disassembly.
Plos Pathog., 10, 2014
4U0D
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BU of 4u0d by Molmil
Hexameric HIV-1 CA in complex with Nup153 peptide, P212121 crystal form
分子名称: CHLORIDE ION, Gag polyprotein, Nuclear pore complex protein Nup153
著者Price, A.J, Jacques, D.A, James, L.C.
登録日2014-07-11
公開日2014-11-12
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Host Cofactors and Pharmacologic Ligands Share an Essential Interface in HIV-1 Capsid That Is Lost upon Disassembly.
Plos Pathog., 10, 2014
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
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
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
6QA3
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BU of 6qa3 by Molmil
ERK2 mini-fragment binding
分子名称: Mitogen-activated protein kinase 1, PYRAZOLE, 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2018-12-18
公開日2019-06-26
実験手法X-RAY DIFFRACTION (1.57 Å)
主引用文献Crystallographic screening using ultra-low-molecular-weight ligands to guide drug design.
Drug Discov Today, 24, 2019
6QA1
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BU of 6qa1 by Molmil
ERK2 mini-fragment binding
分子名称: Mitogen-activated protein kinase 1, SULFATE ION, pyridin-2-amine
著者O'Reilly, M, Cleasby, A, Davies, T.G, Hall, R, Ludlow, F, Murray, C.W, Tisi, D, Jhoti, H.
登録日2018-12-18
公開日2019-06-26
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献Crystallographic screening using ultra-low-molecular-weight ligands to guide drug design.
Drug Discov Today, 24, 2019
6QAG
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BU of 6qag by Molmil
ERK2 mini-fragment binding
分子名称: 1~{H}-1,2,3-triazole, 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2018-12-19
公開日2019-03-27
最終更新日2019-05-22
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献Crystallographic screening using ultra-low-molecular-weight ligands to guide drug design.
Drug Discov Today, 24, 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
6QA4
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BU of 6qa4 by Molmil
ERK2 mini-fragment binding
分子名称: 1~{H}-pyridin-2-one, 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2018-12-18
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
6QAL
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BU of 6qal by Molmil
ERK2 mini-fragment binding
分子名称: 1,1-bis(oxidanylidene)thietan-3-ol, 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2018-12-19
公開日2019-03-27
最終更新日2019-05-22
実験手法X-RAY DIFFRACTION (1.57 Å)
主引用文献Crystallographic screening using ultra-low-molecular-weight ligands to guide drug design.
Drug Discov Today, 24, 2019

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件を2024-08-07に公開中

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