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6TCA
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BU of 6tca by Molmil
Phosphorylated p38 and MAPKAPK2 complex with inhibitor
分子名称: MAP kinase-activated protein kinase 2, Mitogen-activated protein kinase 14, N-[5-(dimethylsulfamoyl)-2-methylphenyl]-1-phenyl-5-propyl-1H-pyrazole-4-carboxamide
著者Sok, P, Remenyi, A.
登録日2019-11-05
公開日2020-07-22
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (3.7 Å)
主引用文献MAP Kinase-Mediated Activation of RSK1 and MK2 Substrate Kinases.
Structure, 28, 2020
7OPM
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BU of 7opm by Molmil
Phosphorylated ERK2 in complex with ORF45
分子名称: 1-[4-(hydroxymethyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1S)-1-phenylethyl]urea, GLYCEROL, Mitogen-activated protein kinase 1, ...
著者Sok, P, Remenyi, A, Alexa, A, Poti, A.
登録日2021-06-01
公開日2022-02-02
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献A non-catalytic herpesviral protein reconfigures ERK-RSK signaling by targeting kinase docking systems in the host.
Nat Commun, 13, 2022
7OPO
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BU of 7opo by Molmil
RSK2 N-terminal kinase domain in complex with ORF45
分子名称: PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Protein ORF45, Ribosomal protein S6 kinase alpha-3
著者Sok, P, Remenyi, A, Alexa, A, Poti, A.
登録日2021-06-01
公開日2022-02-02
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献A non-catalytic herpesviral protein reconfigures ERK-RSK signaling by targeting kinase docking systems in the host.
Nat Commun, 13, 2022
7PPM
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BU of 7ppm by Molmil
SHP2 catalytic domain in complex with IRS1 (889-901) phosphopeptide (pSer-892, pTyr-896)
分子名称: GLYCEROL, Insulin receptor substrate 1, Tyrosine-protein phosphatase non-receptor type 11,Tyrosine-protein phosphatase non-receptor type 11
著者Sok, P, Zeke, A, Remenyi, A.
登録日2021-09-14
公開日2022-09-07
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.48 Å)
主引用文献Structural insights into the pSer/pThr dependent regulation of the SHP2 tyrosine phosphatase in insulin and CD28 signaling.
Nat Commun, 13, 2022
7PPN
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BU of 7ppn by Molmil
SHP2 catalytic domain in complex with CD28 (183-198) phosphopeptide (pTyr-191, p-Thr-195)
分子名称: GLYCEROL, T-cell-specific surface glycoprotein CD28, Tyrosine-protein phosphatase non-receptor type 11,Tyrosine-protein phosphatase non-receptor type 11
著者Sok, P, Zeke, A, Remenyi, A.
登録日2021-09-14
公開日2022-09-07
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural insights into the pSer/pThr dependent regulation of the SHP2 tyrosine phosphatase in insulin and CD28 signaling.
Nat Commun, 13, 2022
7PPL
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BU of 7ppl by Molmil
SHP2 catalytic domain in complex with IRS1 (625-639) phosphopeptide (pTyr-632, pSer-636)
分子名称: ETHANOL, GLYCEROL, Insulin receptor substrate 1, ...
著者Sok, P, Zeke, A, Remenyi, A.
登録日2021-09-14
公開日2022-09-07
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.53 Å)
主引用文献Structural insights into the pSer/pThr dependent regulation of the SHP2 tyrosine phosphatase in insulin and CD28 signaling.
Nat Commun, 13, 2022
8PTA
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BU of 8pta by Molmil
JNK1 covalently bound to BD837 cyclohexenone based inhibitor
分子名称: GLYCEROL, Mitogen-activated protein kinase 8, methyl (1R,3S)-1-methyl-3-[[3-[[3-methyl-4-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]carbamoyl]phenyl]carbamoyl]-4-oxidanylidene-cyclohexane-1-carboxylate
著者Sok, P, Poti, A, Remenyi, A.
登録日2023-07-13
公開日2024-07-24
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.41 Å)
主引用文献Reversible covalent c-Jun N-terminal kinase inhibitors targeting a specific cysteine by precision-guided Michael-acceptor warheads.
Nat Commun, 15, 2024
8PT9
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BU of 8pt9 by Molmil
JNK1 covalently bound to BD838 cyclohexenone based inhibitor
分子名称: Mitogen-activated protein kinase 8, methyl (1S,3S)-1-methyl-3-[[3-[[3-methyl-4-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]carbamoyl]phenyl]carbamoyl]-4-oxidanylidene-cyclohexane-1-carboxylate
著者Sok, P, Poti, A, Remenyi, A.
登録日2023-07-13
公開日2024-07-24
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Reversible covalent c-Jun N-terminal kinase inhibitors targeting a specific cysteine by precision-guided Michael-acceptor warheads.
Nat Commun, 15, 2024
8PT8
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BU of 8pt8 by Molmil
JNK1 covalently bound to RU135 cyclohexenone based inhibitor
分子名称: GLYCEROL, Mitogen-activated protein kinase 8, methyl (1R,3R)-1-methyl-3-[[3-[[3-methyl-4-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]carbamoyl]phenyl]methylcarbamoyl]-4-oxidanylidene-cyclohexane-1-carboxylate
著者Sok, P, Poti, A, Remenyi, A.
登録日2023-07-13
公開日2024-07-24
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.78 Å)
主引用文献Reversible covalent c-Jun N-terminal kinase inhibitors targeting a specific cysteine by precision-guided Michael-acceptor warheads.
Nat Commun, 15, 2024
8PT5
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BU of 8pt5 by Molmil
ERK2 covelently bound to RU187 cyclohexenone based inhibitor
分子名称: GLYCEROL, Mitogen-activated protein kinase 1, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
著者Sok, P, Poti, A, Remenyi, A.
登録日2023-07-13
公開日2024-07-24
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Targeting a key protein-protein interaction surface on mitogen-activated protein kinases by a precision-guided warhead scaffold.
Nat Commun, 15, 2024
8PSY
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BU of 8psy by Molmil
ERK2 covelently bound to RU68 cyclohexenone based inhibitor
分子名称: AMP PHOSPHORAMIDATE, Mitogen-activated protein kinase 1, ~{O}3-~{tert}-butyl ~{O}1-methyl (1~{S},3~{R})-4-oxidanylidene-1-(phenylmethyl)cyclohexane-1,3-dicarboxylate
著者Sok, P, Poti, A, Remenyi, A, Gogl, G.
登録日2023-07-13
公開日2024-07-24
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Targeting a key protein-protein interaction surface on mitogen-activated protein kinases by a precision-guided warhead scaffold.
Nat Commun, 15, 2024
8PSW
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BU of 8psw by Molmil
ERK2 covalently bound to RU67 cyclohexenone based inhibitor
分子名称: AMP PHOSPHORAMIDATE, Mitogen-activated protein kinase 1, ~{O}3-~{tert}-butyl ~{O}1-methyl (1~{R},3~{R})-4-oxidanylidene-1-(phenylmethyl)cyclohexane-1,3-dicarboxylate
著者Sok, P, Poti, A, Remenyi, A, Gogl, G.
登録日2023-07-13
公開日2024-07-24
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Targeting a key protein-protein interaction surface on mitogen-activated protein kinases by a precision-guided warhead scaffold.
Nat Commun, 15, 2024
8PT3
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BU of 8pt3 by Molmil
ERK2 covelently bound to RU77 cyclohexenone based inhibitor
分子名称: GLYCEROL, Mitogen-activated protein kinase 1, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
著者Sok, P, Poti, A, Remenyi, A.
登録日2023-07-13
公開日2024-07-24
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Targeting a key protein-protein interaction surface on mitogen-activated protein kinases by a precision-guided warhead scaffold.
Nat Commun, 15, 2024
8PT1
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BU of 8pt1 by Molmil
ERK2 covelently bound to RU76 cyclohexenone based inhibitor
分子名称: Mitogen-activated protein kinase 1, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ~{O}1-methyl ~{O}3-(phenylmethyl) (1~{S},3~{R})-1-methyl-4-oxidanylidene-cyclohexane-1,3-dicarboxylate
著者Sok, P, Poti, A, Remenyi, A, Gogl, G.
登録日2023-07-13
公開日2024-07-24
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Targeting a key protein-protein interaction surface on mitogen-activated protein kinases by a precision-guided warhead scaffold.
Nat Commun, 15, 2024
8PST
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BU of 8pst by Molmil
ERK2 covelently bound to RU60 cyclohexenone based inhibitor
分子名称: AMP PHOSPHORAMIDATE, Mitogen-activated protein kinase 1, ~{O}3-~{tert}-butyl ~{O}1-methyl (1~{R},3~{S})-1-methyl-4-oxidanylidene-cyclohexane-1,3-dicarboxylate
著者Sok, P, Poti, A, Remenyi, A, Gogl, G.
登録日2023-07-13
公開日2024-07-24
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Targeting a key protein-protein interaction surface on mitogen-activated protein kinases by a precision-guided warhead scaffold.
Nat Commun, 15, 2024
8PSR
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BU of 8psr by Molmil
ERK2 covalently bound to SynthRevD-12-opt artificial peptide
分子名称: GLYCEROL, Mitogen-activated protein kinase 1, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
著者Sok, P, Poti, A, Gogl, G, Remenyi, A.
登録日2023-07-13
公開日2024-07-24
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Targeting a key protein-protein interaction surface on mitogen-activated protein kinases by a precision-guided warhead scaffold.
Nat Commun, 15, 2024
8PT0
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BU of 8pt0 by Molmil
ERK2 covelently bound to RU75 cyclohexenone based inhibitor
分子名称: GLYCEROL, Mitogen-activated protein kinase 1, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
著者Sok, P, Poti, A, Remenyi, A, Gogl, G.
登録日2023-07-13
公開日2024-07-24
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Targeting a key protein-protein interaction surface on mitogen-activated protein kinases by a precision-guided warhead scaffold.
Nat Commun, 15, 2024
6ZQS
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BU of 6zqs by Molmil
Crystal structure of double-phosphorylated p38alpha with ATF2(83-102)
分子名称: 2-[(2,4-difluorophenyl)amino]-7-{[(2R)-2,3-dihydroxypropyl]oxy}-10,11-dihydro-5H-dibenzo[a,d][7]annulen-5-one, Cyclic AMP-dependent transcription factor ATF-2, Mitogen-activated protein kinase 14
著者Kirsch, K, Sok, P, Poti, A.L, Remenyi, A.
登録日2020-07-10
公開日2020-11-18
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Co-regulation of the transcription controlling ATF2 phosphoswitch by JNK and p38.
Nat Commun, 11, 2020
6ZR5
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BU of 6zr5 by Molmil
Crystal structure of JNK1 in complex with ATF2(19-58)
分子名称: Cyclic AMP-dependent transcription factor ATF-2, MAGNESIUM ION, Mitogen-activated protein kinase 8, ...
著者Kirsch, K, Zeke, A, Remenyi, A.
登録日2020-07-10
公開日2020-11-18
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.699 Å)
主引用文献Co-regulation of the transcription controlling ATF2 phosphoswitch by JNK and p38.
Nat Commun, 11, 2020

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件を2024-11-06に公開中

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