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4R3Z
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Crystal structure of human ArgRS-GlnRS-AIMP1 complex
分子名称: Aminoacyl tRNA synthase complex-interacting multifunctional protein 1, Arginine--tRNA ligase, cytoplasmic, ...
著者Fu, Y, Kim, Y, Cho, Y.
登録日2014-08-18
公開日2014-10-08
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (4.033 Å)
主引用文献Structure of the ArgRS-GlnRS-AIMP1 complex and its implications for mammalian translation
Proc.Natl.Acad.Sci.USA, 111, 2014
3P78
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BU of 3p78 by Molmil
P38 inhibitor-bound
分子名称: 1-{5-tert-butyl-3-[(1,1-dioxidothiomorpholin-4-yl)carbonyl]thiophen-2-yl}-3-naphthalen-2-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 (2.3 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
4ITF
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BU of 4itf by Molmil
Crystal structure of the human vitamin D receptor ligand binding domain complexed with 1alpha,25-Dihydroxy-2alpha-[2-(1H-tetrazole-1-yl)ethyl]vitamin D3
分子名称: (1R,2S,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-6-methyl-6-oxidanyl-heptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidene-2-[2-(1,2,3,4-tetrazol-1-yl)ethyl]cyclohexane-1,3-diol, Vitamin D3 receptor
著者Kakuda, S, Takimoto-Kamimura, M.
登録日2013-01-18
公開日2014-01-22
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.84 Å)
主引用文献Synthesis of 2 alpha-heteroarylalkyl active vitamin d3 with therapeutic effect on enhancing bone mineral density in vivo
ACS MED.CHEM.LETT., 4, 2013
3P7C
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BU of 3p7c by Molmil
p38 inhibitor-bound
分子名称: 1-[5-tert-butyl-3-({4-[2-(dimethylamino)ethyl]-5-oxo-1,4-diazepan-1-yl}carbonyl)thiophen-2-yl]-3-(2,3-dichlorophenyl)urea, 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 (2.3 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
4RCB
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BU of 4rcb by Molmil
Crystal structure of E Coli Hfq
分子名称: RNA-binding protein Hfq
著者Su, J.Y.
登録日2014-09-15
公開日2015-09-16
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Limited proteolysis improves E.coli Hfq crystal structure resolution
Chin J Biochem Mol Biol, 9, 2015
6AHD
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BU of 6ahd by Molmil
The Cryo-EM Structure of Human Pre-catalytic Spliceosome (B complex) at 3.8 angstrom resolution
分子名称: 116 kDa U5 small nuclear ribonucleoprotein component, Brr2, U5 small nuclear ribonucleoprotein 200 kDa helicase, ...
著者Zhan, X, Yan, C, Zhang, X, Shi, Y.
登録日2018-08-17
公開日2018-11-14
最終更新日2021-06-30
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Structures of the human pre-catalytic spliceosome and its precursor spliceosome.
Cell Res., 28, 2018
1ILH
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BU of 1ilh by Molmil
Crystal Structure of Human Pregnane X Receptor Ligand Binding Domain Bound to SR12813
分子名称: ORPHAN NUCLEAR RECEPTOR PXR, [2-(3,5-DI-TERT-BUTYL-4-HYDROXY-PHENYL)-1-(DIETHOXY-PHOSPHORYL)-VINYL]-PHOSPHONIC ACID DIETHLYL ESTER
著者Watkins, R.E, Redinbo, M.R.
登録日2001-05-08
公開日2001-06-27
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.76 Å)
主引用文献The human nuclear xenobiotic receptor PXR: structural determinants of directed promiscuity.
Science, 292, 2001
3PG3
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Human p38 MAP Kinase in Complex with RL182
分子名称: 1-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-3-{4-[2-(pyridin-3-ylmethoxy)ethyl]-1,3-thiazol-2-yl}urea, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside
著者Gruetter, C, Simard, J.R, Getlik, M, Rauh, D.
登録日2010-10-29
公開日2011-11-02
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure-based design and synthesis of cell active N-pyrazole, N-thiazole urea inhibitors of the MAP kinase p38alpha
To be Published
4R6L
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BU of 4r6l by Molmil
Crystal structure of bacteriophytochrome RpBphP2 from photosynthetic bacterium R. palustris
分子名称: BILIVERDINE IX ALPHA, Bacteriophytochrome (Light-regulated signal transduction histidine kinase), PhyB1
著者Yang, X, Stojkovic, E, Ozarowski, W, Kuk, J, Davydova, E, Moffat, K.
登録日2014-08-25
公開日2015-07-22
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (3.395 Å)
主引用文献Light Signaling Mechanism of Two Tandem Bacteriophytochromes.
Structure, 23, 2015
4QSR
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BU of 4qsr by Molmil
Structure of the bromodomain of human ATPase family AAA domain-containing protein 2 (ATAD2) with bound MPD
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, ATPase family AAA domain-containing protein 2, GLYCEROL, ...
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 Å)
主引用文献Structure-based approaches towards identification of fragments for the low-druggability ATAD2 bromodomain
MedChemComm, 5, 2014
4QSX
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BU of 4qsx by Molmil
Structure of the bromodomain of human ATPase family AAA domain-containing protein 2 (ATAD2) in complex with 3'-deoxy thymidine
分子名称: 1,2-ETHANEDIOL, 1-[(2R,5S)-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-methylpyrimidine-2,4(1H,3H)-dione, 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 (1.93 Å)
主引用文献Structure-based approaches towards identification of fragments for the low-druggability ATAD2 bromodomain
MedChemComm, 5, 2014
4QTT
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BU of 4qtt by Molmil
Structure of S. cerevisiae Bud23-Trm112 complex involved in formation of m7G1575 on 18S rRNA (apo-form)
分子名称: 1,2-ETHANEDIOL, DODECAETHYLENE GLYCOL, Multifunctional methyltransferase subunit TRM112, ...
著者Letoquart, J, Huvelle, E, Wacheul, L, Bourgeois, G, Zorbas, C, Graille, M, Heurgue-Hamard, V, Lafontaine, D.L.J.
登録日2014-07-09
公開日2014-12-24
最終更新日2022-08-24
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural and functional studies of Bud23-Trm112 reveal 18S rRNA N7-G1575 methylation occurs on late 40S precursor ribosomes.
Proc.Natl.Acad.Sci.USA, 111, 2014
7MSL
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BU of 7msl by Molmil
Structure of anti-CRISPR AcrIIC4 from Haemophilus parainfluenzae
分子名称: AcrIIC4, IODIDE ION
著者Pan, C, Maxwell, K.L, Moraes, T.F.
登録日2021-05-11
公開日2022-03-23
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献Structural and Mechanistic Insight into CRISPR-Cas9 Inhibition by Anti-CRISPR Protein AcrIIC4 Hpa.
J.Mol.Biol., 434, 2022
2BAK
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BU of 2bak by Molmil
p38alpha MAP kinase bound to MPAQ
分子名称: Mitogen-activated protein kinase 14, N-(3-{[7-METHOXY-6-(2-PYRROLIDIN-1-YLETHOXY)QUINAZOLIN-4-YL]AMINO}-4-METHYLPHENYL)-2-MORPHOLIN-4-YLISONICOTINAMIDE
著者Gerhardt, S, Breed, J, Pauptit, R.A, Read, J, Norman, R.A, Ward, W.H.
登録日2005-10-14
公開日2005-12-06
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Prevention of MKK6-Dependent Activation by Binding to p38alpha MAP Kinase
Biochemistry, 44, 2005
4RA2
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BU of 4ra2 by Molmil
PP2Ca
分子名称: MANGANESE (II) ION, PHOSPHATE ION, Protein phosphatase 1A
著者Pan, C, Tang, J.Y, Xu, Y.F, Xiao, P, Liu, H.D, Wang, H.A, Wang, W.B, Meng, F.G, Yu, X, Sun, J.P.
登録日2014-09-09
公開日2015-05-13
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献The catalytic role of the M2 metal ion in PP2Ca
SCI REP, 2015
2BAL
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BU of 2bal by Molmil
p38alpha MAP kinase bound to pyrazoloamine
分子名称: Mitogen-activated protein kinase 14, [5-AMINO-1-(4-FLUOROPHENYL)-1H-PYRAZOL-4-YL][3-(PIPERIDIN-4-YLOXY)PHENYL]METHANONE
著者Gerhardt, S, Pauptit, R.A, Read, J, Tucker, J, Norman, R.A, Breed, J.
登録日2005-10-14
公開日2005-12-06
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Prevention of MKK6-Dependent Activation by Binding to p38alpha MAP Kinase.
Biochemistry, 44, 2005
2BAJ
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BU of 2baj by Molmil
p38alpha bound to pyrazolourea
分子名称: 1-(3-tert-butyl-1-phenyl-1H-pyrazol-5-yl)-3-(2,3-dichlorophenyl)urea, Mitogen-activated protein kinase 14
著者Gerhardt, S, Pauptit, R.A, Read, J, Breed, J, Norman, R.A, Ward, W.H.
登録日2005-10-14
公開日2005-12-06
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Prevention of MKK6-Dependent Activation by Binding to p38alpha MAP Kinase
Biochemistry, 44, 2005
2BAQ
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p38alpha bound to Ro3201195
分子名称: Mitogen-activated protein kinase 14, [5-AMINO-1-(4-FLUOROPHENYL)-1H-PYRAZOL-4-YL](3-{[(2R)-2,3-DIHYDROXYPROPYL]OXY}PHENYL)METHANONE
著者Gerhardt, S, Pauptit, R.A, Breed, J, Read, J, Tucker, J, Norman, R.A.
登録日2005-10-14
公開日2005-12-06
最終更新日2021-10-20
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Prevention of MKK6-Dependent Activation by Binding to p38alpha MAP Kinase.
Biochemistry, 44, 2005
4RER
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BU of 4rer by Molmil
Crystal structure of the phosphorylated human alpha1 beta2 gamma1 holo-AMPK complex bound to AMP and cyclodextrin
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 5'-AMP-activated protein kinase catalytic subunit alpha-1, 5'-AMP-activated protein kinase subunit beta-2, ...
著者Zhou, X.E, Ke, J, Li, X, Wang, L, Gu, X, de Waal, P.W, Tan, M.H.E, Wang, D, Wu, D, Xu, H.E, Melcher, K.
登録日2014-09-23
公開日2014-12-10
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (4.047 Å)
主引用文献Structural basis of AMPK regulation by adenine nucleotides and glycogen.
Cell Res., 25, 2015
4QVD
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BU of 4qvd by Molmil
E.coli Hfq in complex with RNA Ads
分子名称: RNA (5'-R(*AP*AP*CP*UP*AP*AP*A)-3'), RNA-binding protein Hfq
著者Wang, L.J, Wang, W.W, Li, F.D, Wu, J.H, Gong, Q.G, Shi, Y.Y.
登録日2014-07-14
公開日2015-05-27
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.972 Å)
主引用文献Structural insights into the recognition of the internal A-rich linker from OxyS sRNA by Escherichia coli Hfq
Nucleic Acids Res., 43, 2015
4RCC
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BU of 4rcc by Molmil
Crystal structure of E Coli Hfq
分子名称: RNA-binding protein Hfq
著者Su, J.Y.
登録日2014-09-15
公開日2015-09-16
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.981 Å)
主引用文献Limited proteolysis improves E.coli Hfq crystal structure resolution
Chin J Biochem Mol Biol, 9, 2015
4NI9
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BU of 4ni9 by Molmil
Crystal structure of human interleukin 6 in complex with a modified nucleotide aptamer (SOMAMER SL1025), FORM 2
分子名称: Interleukin-6, SODIUM ION, SOMAmer SL1025
著者Davies, D, Edwards, T, Gelinas, A, Jarvis, T, Clifton, M.C.
登録日2013-11-05
公開日2014-01-22
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Crystal structure of interleukin-6 in complex with a modified nucleic Acid ligand.
J.Biol.Chem., 289, 2014
4NI7
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Crystal structure of human interleukin 6 in complex with a modified nucleotide aptamer (SOMAMER SL1025)
分子名称: Interleukin-6, SODIUM ION, SOMAmer SL1025
著者Davies, D, Edwards, T, Gelinas, A, Jarvis, T, Clifton, M.C.
登録日2013-11-05
公開日2014-01-22
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal structure of interleukin-6 in complex with a modified nucleic Acid ligand.
J.Biol.Chem., 289, 2014
4REW
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BU of 4rew by Molmil
Crystal structure of the non-phosphorylated human alpha1 beta2 gamma1 holo-AMPK complex
分子名称: 5'-AMP-activated protein kinase catalytic subunit alpha-1, 5'-AMP-activated protein kinase subunit beta-2, 5'-AMP-activated protein kinase subunit gamma-1, ...
著者Zhou, X.E, Ke, J, Li, X, Wang, L, Gu, X, de Waal, P.W, Tan, M.H.E, Wang, D, Wu, D, Xu, H.E, Melcher, K.
登録日2014-09-24
公開日2014-12-10
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (4.58 Å)
主引用文献Structural basis of AMPK regulation by adenine nucleotides and glycogen.
Cell Res., 25, 2015
3HLL
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BU of 3hll by Molmil
Crystal Structure of Human p38alpha complexed with PH-797804
分子名称: 2-fluoro-4-[4-(4-fluorophenyl)-1H-pyrazol-3-yl]pyridine, 3-{3-bromo-4-[(2,4-difluorobenzyl)oxy]-6-methyl-2-oxopyridin-1(2H)-yl}-N,4-dimethylbenzamide, HYPOPHOSPHITE, ...
著者Shieh, H.-S, Williams, J.M, Stegeman, R.A, Kurumbail, R.G.
登録日2009-05-27
公開日2009-07-14
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structural bioinformatics-based prediction of exceptional selectivity of p38 MAP kinase inhibitor PH-797804.
Biochemistry, 48, 2009

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