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6FXV
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BU of 6fxv by Molmil
Crystal structure of ERK2 in complex with an adenosine derivative
分子名称: DIMETHYL SULFOXIDE, Mitogen-activated protein kinase 1, SULFATE ION, ...
著者Gelin, M, Labesse, G.
登録日2018-03-09
公開日2019-03-20
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.53 Å)
主引用文献None
To be published
8VCI
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BU of 8vci by Molmil
SARS-CoV-2 Frameshift Stimulatory Element with Upstream Multibranch Loop
分子名称: Frameshift Stimulatory Element with Upstream Multi-branch Loop
著者Peterson, J.M, Becker, S.T, O'Leary, C.A, Juneja, P, Yang, Y, Moss, W.N.
登録日2023-12-14
公開日2024-01-17
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (6.1 Å)
主引用文献Structure of the SARS-CoV-2 Frameshift Stimulatory Element with an Upstream Multibranch Loop.
Biochemistry, 63, 2024
6G91
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BU of 6g91 by Molmil
Fragment-based discovery of a highly potent, orally bioavailable inhibitor which modulates the phosphorylation and catalytic activity of ERK1/2
分子名称: 5-chloranyl-~{N}-(oxan-4-yl)pyrimidin-2-amine, Mitogen-activated protein kinase 1, SULFATE ION
著者O'Reilly, M.
登録日2018-04-10
公開日2018-05-30
最終更新日2018-06-27
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Fragment-Based Discovery of a Potent, Orally Bioavailable Inhibitor That Modulates the Phosphorylation and Catalytic Activity of ERK1/2.
J. Med. Chem., 61, 2018
6G9K
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BU of 6g9k by Molmil
Fragment-based discovery of a highly potent, orally bioavailable inhibitor which modulates the phosphorylation and catalytic activity of ERK1/2
分子名称: 2-[5-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-3-oxidanylidene-1~{H}-isoindol-2-yl]-~{N}-[(1~{S})-2-oxidanyl-1-phenyl-ethyl]ethanamide, Mitogen-activated protein kinase 1, SULFATE ION
著者O'Reilly, M.
登録日2018-04-11
公開日2018-05-30
最終更新日2018-06-27
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Fragment-Based Discovery of a Potent, Orally Bioavailable Inhibitor That Modulates the Phosphorylation and Catalytic Activity of ERK1/2.
J. Med. Chem., 61, 2018
8IYJ
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BU of 8iyj by Molmil
Cryo-EM structure of the 48-nm repeat doublet microtubule from mouse sperm
分子名称: Cilia and flagella-associated protein 77, Cilia- and flagella-associated protein 107, Cilia- and flagella-associated protein 141, ...
著者Zhou, L.N, Gui, M, Wu, J.P.
登録日2023-04-05
公開日2023-07-05
最終更新日2024-07-03
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Structures of sperm flagellar doublet microtubules expand the genetic spectrum of male infertility.
Cell, 186, 2023
6G93
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BU of 6g93 by Molmil
Fragment-based discovery of a highly potent, orally bioavailable inhibitor which modulates the phosphorylation and catalytic activity of ERK1/2
分子名称: 6-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-2,3-dihydroisoindol-1-one, Mitogen-activated protein kinase 1, SULFATE ION
著者O'Reilly, M.
登録日2018-04-10
公開日2018-05-30
最終更新日2018-06-27
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献Fragment-Based Discovery of a Potent, Orally Bioavailable Inhibitor That Modulates the Phosphorylation and Catalytic Activity of ERK1/2.
J. Med. Chem., 61, 2018
6G9J
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BU of 6g9j by Molmil
Fragment-based discovery of a highly potent, orally bioavailable inhibitor which modulates the phosphorylation and catalytic activity of ERK1/2
分子名称: 2-[5-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-3-oxidanylidene-1~{H}-isoindol-2-yl]-~{N}-[(1~{R})-1-phenylethyl]ethanamide, Mitogen-activated protein kinase 1, SULFATE ION
著者O'Reilly, M.
登録日2018-04-10
公開日2018-05-30
最終更新日2018-06-27
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Fragment-Based Discovery of a Potent, Orally Bioavailable Inhibitor That Modulates the Phosphorylation and Catalytic Activity of ERK1/2.
J. Med. Chem., 61, 2018
6FR1
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BU of 6fr1 by Molmil
Crystal structure of ERK2 in complex with an adenosine derivative
分子名称: DIMETHYL SULFOXIDE, Mitogen-activated protein kinase 1, SULFATE ION, ...
著者Gelin, M, Labesse, G.
登録日2018-02-15
公開日2019-03-13
実験手法X-RAY DIFFRACTION (1.561 Å)
主引用文献None
To be published
8QBM
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BU of 8qbm by Molmil
Retron-Eco1 filament with ADP-ribosylated Effector (full map with 2 segments)
分子名称: MAGNESIUM ION, Retron Ec86 putative ribosyltransferase/DNA-binding protein, Retron Ec86 reverse transcriptase, ...
著者Carabias del Rey, A, Montoya, G.
登録日2023-08-24
公開日2024-06-05
最終更新日2024-06-19
実験手法ELECTRON MICROSCOPY (3.09 Å)
主引用文献Retron-Eco1 assembles NAD + -hydrolyzing filaments that provide immunity against bacteriophages.
Mol.Cell, 84, 2024
8QBK
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BU of 8qbk by Molmil
Retron-Eco1 filament with ADP-ribosylated Effector (local map with 1 segment)
分子名称: MAGNESIUM ION, Retron Ec86 putative ribosyltransferase/DNA-binding protein, Retron Ec86 reverse transcriptase, ...
著者Carabias del Rey, A, Montoya, G.
登録日2023-08-24
公開日2024-06-05
最終更新日2024-06-19
実験手法ELECTRON MICROSCOPY (2.99 Å)
主引用文献Retron-Eco1 assembles NAD + -hydrolyzing filaments that provide immunity against bacteriophages.
Mol.Cell, 84, 2024
8QBL
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BU of 8qbl by Molmil
Retron-Eco1 filament with inactive effector (E106A, 2 segments)
分子名称: MAGNESIUM ION, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Retron Ec86 putative ribosyltransferase/DNA-binding protein, ...
著者Carabias del Rey, A, Montoya, G.
登録日2023-08-24
公開日2024-06-05
最終更新日2024-06-19
実験手法ELECTRON MICROSCOPY (2.66 Å)
主引用文献Retron-Eco1 assembles NAD + -hydrolyzing filaments that provide immunity against bacteriophages.
Mol.Cell, 84, 2024
6FN5
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BU of 6fn5 by Molmil
Crystal structure of ERK2 in complex with an adenosine derivative
分子名称: DIMETHYL SULFOXIDE, Mitogen-activated protein kinase 1, SULFATE ION, ...
著者Gelin, M, Labesse, G.
登録日2018-02-02
公開日2019-03-13
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.932 Å)
主引用文献None
To be published
6GJD
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BU of 6gjd by Molmil
Erk2 signalling protein
分子名称: DIMETHYL SULFOXIDE, GLYCEROL, Mitogen-activated protein kinase 1, ...
著者O'Reilly, M.
登録日2018-05-16
公開日2019-01-02
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献Quantitation of ERK1/2 inhibitor cellular target occupancies with a reversible slow off-rate probe.
Chem Sci, 9, 2018
6G54
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BU of 6g54 by Molmil
Crystal structure of ERK2 covalently bound to SM1-71
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Mitogen-activated protein kinase 1, ...
著者Chaikuad, A, Suman, R, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Gray, N.S, Knapp, S, Structural Genomics Consortium (SGC)
登録日2018-03-29
公開日2019-02-27
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Leveraging Compound Promiscuity to Identify Targetable Cysteines within the Kinome.
Cell Chem Biol, 26, 2019
3WYG
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BU of 3wyg by Molmil
Crystal structure of Xpo1p-PKI-Gsp1p-GTP complex
分子名称: Exportin-1, GUANOSINE-5'-TRIPHOSPHATE, Gsp1p, ...
著者Koyama, M, Shirai, N, Matsuura, Y.
登録日2014-08-26
公開日2014-11-12
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Structural insights into how yrb2p accelerates the assembly of the xpo1p nuclear export complex
Cell Rep, 9, 2014
5LAR
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BU of 5lar by Molmil
Crystal structure of p38 alpha MAPK14 in complex with VPC00628
分子名称: 5-azanyl-~{N}-[[4-[[(2~{S})-1-azanyl-4-cyclohexyl-1-oxidanylidene-butan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide, Mitogen-activated protein kinase 14
著者Chaikuad, A, Petersen, L.K, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
登録日2016-06-14
公開日2016-07-06
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Novel p38alpha MAP kinase inhibitors identified from yoctoReactor DNA-encoded small molecule library
Medchemcomm, 7, 2016
6G9N
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BU of 6g9n by Molmil
Fragment-based discovery of a highly potent, orally bioavailable inhibitor which modulates the phosphorylation and catalytic activity of ERK1/2
分子名称: (2~{R})-2-[5-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-3-oxidanylidene-1~{H}-isoindol-2-yl]-~{N}-[(1~{S})-1-(3-methylphenyl)-2-oxidanyl-ethyl]propanamide, Mitogen-activated protein kinase 1, SULFATE ION
著者O'Reilly, M.
登録日2018-04-11
公開日2018-05-30
最終更新日2018-06-27
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Fragment-Based Discovery of a Potent, Orally Bioavailable Inhibitor That Modulates the Phosphorylation and Catalytic Activity of ERK1/2.
J. Med. Chem., 61, 2018
8AS4
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BU of 8as4 by Molmil
Crystal structure of human beta-arrestin-1
分子名称: Beta-arrestin-1
著者Jakob, R.P, Panwalkar, V, Grzesiek, S.
登録日2022-08-18
公開日2023-06-07
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献A key GPCR phosphorylation motif discovered in arrestin2⋅CCR5 phosphopeptide complexes.
Mol.Cell, 83, 2023
2AHM
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BU of 2ahm by Molmil
Crystal structure of SARS-CoV super complex of non-structural proteins: the hexadecamer
分子名称: GLYCEROL, Replicase polyprotein 1ab, heavy chain, ...
著者Zhai, Y.J, Sun, F, Bartlam, M, Rao, Z.
登録日2005-07-28
公開日2005-11-15
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Insights into SARS-CoV transcription and replication from the structure of the nsp7-nsp8 hexadecamer
NAT.STRUCT.MOL.BIOL., 12, 2005
8ARI
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BU of 8ari by Molmil
Cryo-EM structure of human CtBP1/RAI2(303-362) delta(331-341) filament
分子名称: C-terminal-binding protein 1, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Retinoic acid-induced protein 2
著者Mullapudi, E, Goradia, N, Wilmanns, M.
登録日2022-08-16
公開日2023-08-23
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Cryo-EM structure of human CtBP1/RAI2(303-362) delta(331-341) filament
To Be Published
2IC3
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BU of 2ic3 by Molmil
Crystal Structure of K103N/Y181C Mutant HIV-1 Reverse Transcriptase (RT) in Complex with Nonnucleoside Inhibitor HBY 097
分子名称: (S)-4-ISOPROPOXYCARBONYL-6-METHOXY-3-METHYLTHIOMETHYL-3,4-DIHYDROQUINOXALIN-2(1H)-THIONE, MANGANESE (II) ION, Reverse transcriptase/ribonuclease H (p51 RT), ...
著者Das, K, Arnold, E.
登録日2006-09-12
公開日2006-12-19
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Crystal Structures of Clinically Relevant Lys103Asn/Tyr181Cys Double Mutant HIV-1 Reverse Transcriptase in Complexes with ATP and Non-nucleoside Inhibitor HBY 097.
J.Mol.Biol., 365, 2007
3W55
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BU of 3w55 by Molmil
The structure of ERK2 in complex with FR148083
分子名称: (3S,5Z,8S,9S,11E)-8,9,16-trihydroxy-14-methoxy-3-methyl-3,4,9,10-tetrahydro-1H-2-benzoxacyclotetradecine-1,7(8H)-dione, Mitogen-activated protein kinase 1
著者Ohori, M, Kinoshita, T.
登録日2013-01-21
公開日2013-02-06
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Role of a cysteine residue in the active site of ERK and the MAPKK family
Biochem.Biophys.Res.Commun., 353, 2007
3DLK
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BU of 3dlk by Molmil
Crystal Structure of an engineered form of the HIV-1 Reverse Transcriptase, RT69A
分子名称: Reverse transcriptase/ribonuclease H, SULFATE ION, p51 RT
著者Ho, W.C, Bauman, J.D, Himmel, D.M, Das, K, Arnold, E.
登録日2008-06-27
公開日2008-10-07
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Crystal engineering of HIV-1 reverse transcriptase for structure-based drug design.
Nucleic Acids Res., 36, 2008
1F66
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BU of 1f66 by Molmil
2.6 A CRYSTAL STRUCTURE OF A NUCLEOSOME CORE PARTICLE CONTAINING THE VARIANT HISTONE H2A.Z
分子名称: HISTONE H2A.Z, HISTONE H2B, HISTONE H3, ...
著者Suto, R.K, Clarkson, M.J, Tremethick, D.J, Luger, K.
登録日2000-06-20
公開日2000-11-27
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Crystal structure of a nucleosome core particle containing the variant histone H2A.Z.
Nat.Struct.Biol., 7, 2000
3ZU7
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BU of 3zu7 by Molmil
Crystal structure of a designed selected Ankyrin Repeat protein in complex with the MAP kinase ERK2
分子名称: DESIGNED ANKYRIN REPEAT PROTEIN, MITOGEN-ACTIVATED PROTEIN KINASE 1
著者Kummer, L, Mittl, P.R, Pluckthun, A.
登録日2011-07-16
公開日2012-06-27
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Structural and Functional Analysis of Phosphorylation-Specific Binders of the Kinase Erk from Designed Ankyrin Repeat Protein Libraries.
Proc.Natl.Acad.Sci.USA, 109, 2012

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件を2024-07-31に公開中

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