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4Q0J
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Deinococcus radiodurans BphP photosensory module
分子名称: 3-[2-[(Z)-[3-(2-carboxyethyl)-5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-pyrrol-1-ium-2-ylidene]methyl]-5-[(Z)-[(3E)-3-ethylidene-4-methyl-5-oxidanylidene-pyrrolidin-2-ylidene]methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid, Bacteriophytochrome
著者Burgie, E.S, Vierstra, R.D.
登録日2014-04-02
公開日2014-07-16
最終更新日2014-09-17
実験手法X-RAY DIFFRACTION (2.747 Å)
主引用文献Crystallographic and Electron Microscopic Analyses of a Bacterial Phytochrome Reveal Local and Global Rearrangements during Photoconversion.
J.Biol.Chem., 289, 2014
1KVA
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E. COLI RIBONUCLEASE HI D134A MUTANT
分子名称: RIBONUCLEASE H
著者Kashiwagi, T, Jeanteur, D, Haruki, M, Katayanagi, K, Kanaya, S, Morikawa, K.
登録日1996-10-04
公開日1997-03-12
最終更新日2021-11-03
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Proposal for new catalytic roles for two invariant residues in Escherichia coli ribonuclease HI.
Protein Eng., 9, 1996
3NNV
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BU of 3nnv by Molmil
Crystal structure of P38 alpha in complex with DP437
分子名称: 1-{3-tert-butyl-1-[4-(hydroxymethyl)phenyl]-1H-pyrazol-5-yl}-3-naphthalen-1-ylurea, Mitogen-activated protein kinase 14
著者Abendroth, J.
登録日2010-06-24
公開日2010-09-15
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Switch control pocket inhibitors of p38-MAP kinase. Durable type II inhibitors that do not require binding into the canonical ATP hinge region
Bioorg.Med.Chem.Lett., 20, 2010
5Z7B
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BU of 5z7b by Molmil
Crystal structure of the VanR transcription factor in complex with vanillate
分子名称: 4-HYDROXY-3-METHOXYBENZOATE, PadR family transcriptional regulator
著者Kwak, Y.M, Park, S.C, Yoon, S.I.
登録日2018-01-28
公開日2018-08-29
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal structure of the VanR transcription factor and the role of its unique alpha-helix in effector recognition.
FEBS J., 285, 2018
1KVC
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BU of 1kvc by Molmil
E. COLI RIBONUCLEASE HI D134N MUTANT
分子名称: RIBONUCLEASE H
著者Kashiwagi, T, Jeanteur, D, Haruki, M, Katayanagi, K, Kanaya, S, Morikawa, K.
登録日1996-10-04
公開日1997-03-12
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Proposal for new catalytic roles for two invariant residues in Escherichia coli ribonuclease HI.
Protein Eng., 9, 1996
3OD6
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BU of 3od6 by Molmil
Crystal structure of p38alpha Y323T active mutant
分子名称: Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside
著者Livnah, O, Tzarum, N.
登録日2010-08-11
公開日2011-01-12
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.682 Å)
主引用文献Active mutants of the TCR-mediated p38alpha alternative activation site show changes in the phosphorylation lip and DEF site formation.
J.Mol.Biol., 405, 2011
4M38
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BU of 4m38 by Molmil
Crystal structure of Trypanosoma brucei protein arginine methyltransferase 7 complex with AdoHcy and histone H4 peptide
分子名称: Histone H4, Protein arginine N-methyltransferase 7, S-ADENOSYL-L-HOMOCYSTEINE
著者Wang, C, Zhu, Y, Shi, Y.
登録日2013-08-06
公開日2014-04-23
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural determinants for the strict monomethylation activity by trypanosoma brucei protein arginine methyltransferase 7.
Structure, 22, 2014
5EYA
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BU of 5eya by Molmil
TRIM25 RING domain in complex with Ubc13-Ub conjugate
分子名称: Polyubiquitin-B, Tripartite motif-containing 25 variant, Ubiquitin-conjugating enzyme E2 N, ...
著者Pornillos, O, Sanchez, J.G.
登録日2015-11-24
公開日2016-08-17
最終更新日2019-12-25
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Mechanism of TRIM25 Catalytic Activation in the Antiviral RIG-I Pathway.
Cell Rep, 16, 2016
3FI4
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BU of 3fi4 by Molmil
P38 kinase crystal structure in complex with RO4499
分子名称: (2S)-1-{[3-(2-chlorophenyl)-6-(2,4-difluorophenoxy)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino}propan-2-ol, Mitogen-activated protein kinase 14
著者Kuglstatter, A, Knapp, M, Dunten, P.
登録日2008-12-10
公開日2009-12-22
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Mapping Binding Pocket Volume: Potential Applications towards Ligand Design and Selectivity
To be Published
2LA6
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BU of 2la6 by Molmil
Solution NMR Structure of RRM domain of RNA-binding protein FUS from homo sapiens, Northeast Structural Genomics Consortium Target HR6430A
分子名称: RNA-binding protein FUS
著者Liu, G, Xiao, R, Janjua, H, Ciccosanti, C, Wang, H, Lee, H, Acton, T.B, Everett, J.K, Huang, Y.J, Montelione, G.T, Northeast Structural Genomics Consortium (NESG)
登録日2011-03-04
公開日2011-05-04
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Northeast Structural Genomics Consortium Target HR6430A
To be Published
3FMN
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BU of 3fmn by Molmil
P38 kinase crystal structure in complex with RO2530
分子名称: 6-(2,4-difluorophenoxy)-N-(tetrahydro-2H-pyran-4-yl)-1H-pyrazolo[3,4-d]pyrimidin-3-amine, Mitogen-activated protein kinase 14
著者Kuglstatter, A, Ghate, M.
登録日2008-12-22
公開日2009-12-22
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献P38 kinase crystal structure in complex with RO2530
To be Published
4QGX
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BU of 4qgx by Molmil
Crystal structure of the R132K:R111L:L121E mutant of Cellular Retinoic Acid Binding ProteinII complexed with a synthetic ligand (Merocyanine) at 1.47 angstrom resolution
分子名称: (2E,4E,6E)-3-methyl-6-(1,3,3-trimethyl-1,3-dihydro-2H-indol-2-ylidene)hexa-2,4-dienal, Cellular retinoic acid-binding protein 2
著者Nosrati, M, Yapici, I, Geiger, J.H.
登録日2014-05-26
公開日2015-01-28
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.471 Å)
主引用文献"Turn-on" protein fluorescence: in situ formation of cyanine dyes.
J.Am.Chem.Soc., 137, 2015
1G1U
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THE 2.5 ANGSTROM RESOLUTION CRYSTAL STRUCTURE OF THE RXRALPHA LIGAND BINDING DOMAIN IN TETRAMER IN THE ABSENCE OF LIGAND
分子名称: RETINOIC ACID RECEPTOR RXR-ALPHA
著者Gampe Jr, R.T, Montana, V.G, Lambert, M.H, Wisely, G.B, Milburn, M.V, Xu, H.E.
登録日2000-10-13
公開日2001-04-25
最終更新日2017-10-04
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural basis for autorepression of retinoid X receptor by tetramer formation and the AF-2 helix.
Genes Dev., 14, 2000
4QFS
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BU of 4qfs by Molmil
Structure of AMPK in complex with Br2-A769662core activator and STAUROSPORINE inhibitor
分子名称: 2-bromo-3-(4-bromophenyl)-4-hydroxy-6-oxo-6,7-dihydrothieno[2,3-b]pyridine-5-carbonitrile, 5'-AMP-activated protein kinase catalytic subunit alpha-1, 5'-AMP-activated protein kinase subunit beta-1, ...
著者Calabrese, M.F, Kurumbail, R.G.
登録日2014-05-21
公開日2014-08-06
最終更新日2017-11-22
実験手法X-RAY DIFFRACTION (3.55 Å)
主引用文献Structural Basis for AMPK Activation: Natural and Synthetic Ligands Regulate Kinase Activity from Opposite Poles by Different Molecular Mechanisms.
Structure, 22, 2014
3O8U
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BU of 3o8u by Molmil
Conformational plasticity of p38 MAP kinase DFG motif mutants in response to inhibitor binding
分子名称: 1-(5-TERT-BUTYL-2-METHYL-2H-PYRAZOL-3-YL)-3-(4-CHLORO-PHENYL)-UREA, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside
著者Namboodiri, H.V, Karpusas, M, Bukhtiyarova, M, Springman, E.B.
登録日2010-08-03
公開日2010-09-01
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Conformational plasticity of p38 MAP kinase DFG motif mutants in response to inhibitor binding
To be Published
3FMK
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BU of 3fmk by Molmil
P38 kinase crystal structure in complex with 6-(2,4-Difluoro-phenoxy)-8-methyl-2-((S)-1-methyl-2-tetrazol-2-yl-ethylamino)-8H-pyrido[2,3-d]pyrimidin-7-one
分子名称: 6-(2,4-difluorophenoxy)-8-methyl-2-{[(1S)-1-methyl-2-(2H-tetrazol-2-yl)ethyl]amino}pyrido[2,3-d]pyrimidin-7(8H)-one, Mitogen-activated protein kinase 14
著者Kuglstatter, A, Ghate, M.
登録日2008-12-22
公開日2009-12-22
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献The Discovery of Pamapimod and R1487 as Orally Bioavailable and Highly Selective Inhibitors of p38 Map Kinase
To be Published
4QGV
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BU of 4qgv by Molmil
Crystal structure of the R132K:R111L mutant of Cellular Retinoic Acid Binding ProteinII complexed with a synthetic ligand (Merocyanine) at 1.73 angstrom resolution.
分子名称: (2E,4E,6E)-3-methyl-6-(1,3,3-trimethyl-1,3-dihydro-2H-indol-2-ylidene)hexa-2,4-dienal, Cellular retinoic acid-binding protein 2
著者Nosrati, M, Yapici, I, Geiger, J.H.
登録日2014-05-25
公開日2015-01-28
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献"Turn-on" protein fluorescence: in situ formation of cyanine dyes.
J.Am.Chem.Soc., 137, 2015
4QH7
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BU of 4qh7 by Molmil
LC8 - Ana2 (159-168) Complex
分子名称: Anastral spindle 2, Dynein light chain 1, cytoplasmic
著者Slevin, L.K, Romes, E.R, Slep, K.C.
登録日2014-05-27
公開日2014-06-11
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.829 Å)
主引用文献The Mechanism of Dynein Light Chain LC8-mediated Oligomerization of the Ana2 Centriole Duplication Factor.
J.Biol.Chem., 289, 2014
3O8P
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BU of 3o8p by Molmil
Conformational plasticity of p38 MAP kinase DFG motif mutants in response to inhibitor binding
分子名称: 1,2-ETHANEDIOL, 1-(5-TERT-BUTYL-2-METHYL-2H-PYRAZOL-3-YL)-3-(4-CHLORO-PHENYL)-UREA, Mitogen-activated protein kinase 14, ...
著者Namboodiri, H.V, Karpusas, M, Bukhtiyarova, M, Springman, E.B.
登録日2010-08-03
公開日2010-09-01
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Conformational plasticity of p38 MAP kinase DFG motif mutants in response to inhibitor binding
To be Published
3ODY
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BU of 3ody by Molmil
Crystal structure of p38alpha Y323Q active mutant
分子名称: Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside
著者Livnah, O, Tzarum, N.
登録日2010-08-12
公開日2011-01-12
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Active mutants of the TCR-mediated p38alpha alternative activation site show changes in the phosphorylation lip and DEF site formation.
J.Mol.Biol., 405, 2011
5ZZO
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BU of 5zzo by Molmil
Crystal structure of CcpE regulatory domain in complex with citrate from Staphyloccocus aureus
分子名称: CITRATE ANION, LysR family transcriptional regulator
著者Chen, J, Wang, L, Shang, F, Xu, Y.
登録日2018-06-04
公開日2018-06-20
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural and Biochemical Analysis of the Citrate-Responsive Mechanism of the Regulatory Domain of Catabolite Control Protein E from Staphylococcus aureus
Biochemistry, 57, 2018
4QST
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BU of 4qst by Molmil
Structure of the bromodomain of human ATPase family AAA domain-containing protein 2 (ATAD2) in complex with 1-methylquinolin 2-one
分子名称: 1,2-ETHANEDIOL, 1-METHYLQUINOLIN-2(1H)-ONE, ATPase family AAA domain-containing protein 2, ...
著者Chaikuad, A, Felletar, I, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
登録日2014-07-06
公開日2014-07-23
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Structure-based approaches towards identification of fragments for the low-druggability ATAD2 bromodomain
MedChemComm, 5, 2014
3S4Q
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P38 alpha kinase complexed with a pyrazolo-triazine based inhibitor
分子名称: 3-[(6-benzoyl-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]-N-cyclopropyl-4-methylbenzamide, Mitogen-activated protein kinase 14
著者Sack, J.S.
登録日2011-05-20
公開日2012-02-01
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.27 Å)
主引用文献Discovery of pyrrolo[2,1-f][1,2,4]triazine C6-ketones as potent, orally active p38α MAP kinase inhibitors.
Bioorg.Med.Chem.Lett., 21, 2011
3P7A
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BU of 3p7a by Molmil
p38 inhibitor-bound
分子名称: 1-[5-tert-butyl-2-(1,1-dioxidothiomorpholin-4-yl)thiophen-3-yl]-3-naphthalen-1-ylurea, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside
著者Moffett, K.K, Namboodiri, H.
登録日2010-10-12
公開日2011-10-12
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.31 Å)
主引用文献Discovery of a novel class of non-ATP site DFG-out state p38 inhibitors utilizing computationally assisted virtual fragment-based drug design (vFBDD).
Bioorg.Med.Chem.Lett., 21, 2011
4R9P
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An Expansion to the Smad MH2-family: The structure of the N-MH2 expanded domain
分子名称: RE28239p
著者Beich-Frandsen, M, Aragon, E, Llimargas, M, Benach, J, Riera, A, Macias, M.J.
登録日2014-09-06
公開日2015-04-08
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.592 Å)
主引用文献Structure of the N-terminal domain of the protein Expansion: an 'Expansion' to the Smad MH2
Acta Crystallogr.,Sect.D, 71, 2015

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