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1KE5
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BU of 1ke5 by Molmil
CDK2 complexed with N-methyl-4-{[(2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]amino}benzenesulfonamide
Descriptor: Cell division protein kinase 2, N-METHYL-4-{[(2-OXO-1,2-DIHYDRO-3H-INDOL-3-YLIDENE)METHYL]AMINO}BENZENESULFONAMIDE
Authors:Bramson, H.N, Corona, J, Davis, S.T, Dickerson, S.H, Edelstein, M, Frye, S.V, Gampe, R.T, Hassell, A.M, Shewchuk, L.M, Kuyper, L.F.
Deposit date:2001-11-14
Release date:2002-05-14
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Oxindole-based inhibitors of cyclin-dependent kinase 2 (CDK2): design, synthesis, enzymatic activities, and X-ray crystallographic analysis.
J.Med.Chem., 44, 2001
2K8P
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BU of 2k8p by Molmil
Characterisation of the structural features and interactions of sclerostin: molecular insight into a key regulator of Wnt-mediated bone formation
Descriptor: Sclerostin
Authors:Veverka, V, Henry, A.J, Slocombe, P.M, Ventom, A, Mulloy, B, Muskett, F.W, Muzylak, M, Greenslade, K, Moore, A, Zhang, L, Gong, J, Qian, X, Paszty, C, Taylor, R.J, Robinson, M.K, Carr, M.D.
Deposit date:2008-09-18
Release date:2009-02-17
Last modified:2024-11-06
Method:SOLUTION NMR
Cite:Characterization of the Structural Features and Interactions of Sclerostin: Molecular insight into a key regulator of Wnt-mediated bone formation
J.Biol.Chem., 284, 2009
2H24
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BU of 2h24 by Molmil
Crystal structure of human IL-10
Descriptor: Interleukin-10
Authors:Yoon, S.I, Walter, M.R.
Deposit date:2006-05-18
Release date:2006-10-17
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Conformational changes mediate interleukin-10 receptor 2 (IL-10R2) binding to IL-10 and assembly of the signaling complex.
J.Biol.Chem., 281, 2006
1URW
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BU of 1urw by Molmil
CDK2 IN COMPLEX WITH AN IMIDAZO[1,2-b]PYRIDAZINE
Descriptor: 2-[4-(N-(3-DIMETHYLAMINOPROPYL)SULPHAMOYL)ANILINO]-, CELL DIVISION PROTEIN KINASE 2
Authors:Byth, K.F, Cooper, N, Culshaw, J.D, Heaton, D.W, Oakes, S.E, Minshull, C.A, Norman, R.A, Pauptit, R.A, Tucker, J.A, Breed, J, Pannifer, A, Rowsell, S, Stanway, J.J, Valentine, A.L, Thomas, A.P.
Deposit date:2003-11-11
Release date:2004-04-23
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Imidazo[1,2-B]Pyridazines: A Potent and Selective Class of Cyclin-Dependent Kinase Inhibitors
Bioorg.Med.Chem.Lett., 14, 2004
2KA4
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BU of 2ka4 by Molmil
NMR structure of the CBP-TAZ1/STAT2-TAD complex
Descriptor: Crebbp protein, Signal transducer and activator of transcription 2, ZINC ION
Authors:Wojciak, J.M, Martinez-Yamout, M.A, Dyson, H.J, Wright, P.E.
Deposit date:2008-10-30
Release date:2009-04-21
Last modified:2024-05-08
Method:SOLUTION NMR
Cite:Structural basis for recruitment of CBP/p300 coactivators by STAT1 and STAT2 transactivation domains
Embo J., 28, 2009
2HY6
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BU of 2hy6 by Molmil
A seven-helix coiled coil
Descriptor: General control protein GCN4, HEXANE-1,6-DIOL
Authors:Liu, J, Zheng, Q, Deng, Y, Cheng, C.S, Kallenbach, N.R, Lu, M.
Deposit date:2006-08-04
Release date:2006-10-24
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:A seven-helix coiled coil.
Proc.Natl.Acad.Sci.Usa, 103, 2006
2K8X
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BU of 2k8x by Molmil
GlyTM1b(1-19)zip: A Chimeric Peptide Model of the N-Terminus of a Rat Short Alpha-Tropomyosin with the N-Terminus Encoded by Exon 1b in Complex with TM9d(252-284), a Peptide Model Containing the C Terminus of Alpha-Tropomyosin Encoded by Exon 9d
Descriptor: TM1b(1-19)Zip
Authors:Greenfield, N.J, Kotylanskaya, L, Hitchcock-DeGregori, S.E.
Deposit date:2008-09-25
Release date:2009-04-28
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Structure of the N terminus of a nonmuscle alpha-tropomyosin in complex with the C terminus: implications for actin binding.
Biochemistry, 48, 2009
2KJE
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BU of 2kje by Molmil
NMR structure of CBP TAZ2 and adenoviral E1A complex
Descriptor: CREB-binding protein, Early E1A 32 kDa protein, ZINC ION
Authors:Ferreon, J.C, Martinez-Yamout, M, Dyson, H, Wright, P.E.
Deposit date:2009-05-27
Release date:2009-09-15
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Structural basis for subversion of cellular control mechanisms by the adenoviral E1A oncoprotein.
Proc.Natl.Acad.Sci.USA, 106, 2009
2K8F
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BU of 2k8f by Molmil
Structural Basis for the Regulation of p53 Function by p300
Descriptor: Cellular tumor antigen p53, Histone acetyltransferase p300
Authors:Bai, Y, Feng, H, Jenkins, L.M, Durell, S.R, Wiodawer, A, Appella, E.
Deposit date:2008-09-08
Release date:2009-03-03
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Structural Basis for p300 Taz2-p53 TAD1 Binding and Modulation by Phosphorylation.
Structure, 17, 2009
7F80
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BU of 7f80 by Molmil
Co-crystal structure of Inhibitor compound MA-211 in complex with human PPARdelta LBD
Descriptor: (3R)-3-methyl-6-[2-[[5-methyl-2-[4-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]phenoxy]hexanoic acid, Peroxisome proliferator-activated receptor delta
Authors:Lakshminarasimhan, A, Rani, S.T, Senaiar, R.S, Krishnamurthy, N.
Deposit date:2021-06-30
Release date:2022-07-06
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Co-crystal structure of Inhibitor compound in complex with human PPARdelta LBD
To Be Published
7OGM
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BU of 7ogm by Molmil
A cooperative PNPase-Hfq-RNA carrier complex facilitates bacterial riboregulation. PNPase-3'ETS(leuZ)-Hfq
Descriptor: 3'ETS(LeuZ), Polyribonucleotide nucleotidyltransferase, RNA-binding protein Hfq
Authors:Dendooven, T, Sinha, D, Roesoleva, A, Cameron, T.A, De Lay, N, Luisi, B.F, Bandyra, K.
Deposit date:2021-05-06
Release date:2021-07-07
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:A cooperative PNPase-Hfq-RNA carrier complex facilitates bacterial riboregulation.
Mol.Cell, 81, 2021
1OIR
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BU of 1oir by Molmil
Imidazopyridines: a potent and selective class of Cyclin-dependent Kinase inhibitors identified through Structure-based hybridisation
Descriptor: 1-(DIMETHYLAMINO)-3-(4-{{4-(2-METHYLIMIDAZO[1,2-A]PYRIDIN-3-YL)PYRIMIDIN-2-YL]AMINO}PHENOXY)PROPAN-2-OL, CELL DIVISION PROTEIN KINASE 2
Authors:Beattie, J.F, Breault, G.A, Byth, K.F, Culshaw, J.D, Ellston, R.P.A, Green, S, Minshull, C.A, Norman, R.A, Pauptit, R.A, Thomas, A.P, Jewsbury, P.J.
Deposit date:2003-06-24
Release date:2003-09-04
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Imidazo[1,2-A]Pyridines: A Potent and Selective Class of Cyclin-Dependent Kinase Inhibitors Identified Through Structure-Based Hybridisation
Bioorg.Med.Chem.Lett., 13, 2003
6TSG
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BU of 6tsg by Molmil
Crystal structure of Peroxisome proliferator-activated receptor gamma (PPARG) in complex with TETRAC
Descriptor: 3,3',5,5'-TETRAIODOTHYROACETIC ACID, Peroxisome proliferator-activated receptor gamma
Authors:Chaikuad, A, Gellrich, L, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Merk, D, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2019-12-20
Release date:2020-07-22
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.98 Å)
Cite:l-Thyroxin and the Nonclassical Thyroid Hormone TETRAC Are Potent Activators of PPAR gamma.
J.Med.Chem., 63, 2020
7ONB
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BU of 7onb by Molmil
Structure of the U2 5' module of the A3'-SSA complex
Descriptor: MINX, PHD finger-like domain-containing protein 5A, RNU2, ...
Authors:Cretu, C, Pena, V.
Deposit date:2021-05-25
Release date:2021-08-04
Last modified:2024-11-20
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structural basis of intron selection by U2 snRNP in the presence of covalent inhibitors.
Nat Commun, 12, 2021
3EN2
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BU of 3en2 by Molmil
Three-dimensional structure of the protein priB from Ralstonia solanacearum at the resolution 2.3A. Northeast Structural Genomics Consortium target RsR213C.
Descriptor: POTASSIUM ION, Probable primosomal replication protein n
Authors:Kuzin, A.P, Neely, H, Wang, H, Sahdev, S, Foote, E.L, Xiao, R, Liu, J, Everett, J.K, Acton, T.B, Rost, B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG)
Deposit date:2008-09-25
Release date:2008-10-07
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Three-dimensional structure of the protein priB from Ralstonia solanacearum at the resolution 2.3A. Northeast Structural Genomics Consortium target RsR213C.
To be Published
6WP7
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BU of 6wp7 by Molmil
Avenolide Binding Autoregulator AvaR1
Descriptor: AvaR1
Authors:Kapoor, I, Olivares, P.J, Nair, S.K.
Deposit date:2020-04-26
Release date:2020-06-24
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Biochemical basis for the regulation of biosynthesis of antiparasitics by bacterial hormones.
Elife, 9, 2020
4KO0
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BU of 4ko0 by Molmil
CRYSTAL STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE (RT) IN COMPLEX WITH an anilinylpyrimidine derivative (JLJ-135)
Descriptor: 1,2-ETHANEDIOL, 4-[(4-methoxypyrimidin-2-yl)amino]-2-[(3-methylbut-2-en-1-yl)oxy]benzonitrile, HIV-1 reverse transcriptase, ...
Authors:Das, K, Bauman, J.D, Arnold, E.
Deposit date:2013-05-10
Release date:2013-08-14
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Extension into the entrance channel of HIV-1 reverse transcriptase-Crystallography and enhanced solubility.
Bioorg.Med.Chem.Lett., 23, 2013
7SQB
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BU of 7sqb by Molmil
PPAR gamma LBD bound to Inverse Agonist SR10221
Descriptor: (2S)-2-{5-[(5-{[(1S)-1-(4-tert-butylphenyl)ethyl]carbamoyl}-2,3-dimethyl-1H-indol-1-yl)methyl]-2-chlorophenoxy}propanoic acid, Peroxisome proliferator-activated receptor gamma
Authors:Frkic, R.L, Pederick, J.L, Bruning, J.B.
Deposit date:2021-11-05
Release date:2023-05-10
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:PPAR gamma Corepression Involves Alternate Ligand Conformation and Inflation of H12 Ensembles.
Acs Chem.Biol., 18, 2023
7SQA
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BU of 7sqa by Molmil
PPAR gamma LBD bound to SR10221 and SMRT corepressor motif
Descriptor: (2S)-2-{5-[(5-{[(1S)-1-(4-tert-butylphenyl)ethyl]carbamoyl}-2,3-dimethyl-1H-indol-1-yl)methyl]-2-chlorophenoxy}propanoic acid, Nuclear receptor corepressor 2, Peroxisome proliferator-activated receptor gamma
Authors:Frkic, R.L, Pederick, J.L, Bruning, J.B.
Deposit date:2021-11-05
Release date:2023-05-10
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.499 Å)
Cite:PPAR gamma Corepression Involves Alternate Ligand Conformation and Inflation of H12 Ensembles.
Acs Chem.Biol., 18, 2023
8GLU
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BU of 8glu by Molmil
CryoEM structure of TnsC(1-503) bound to TnsD(1-318) from E.coli Tn7
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
Authors:Shen, Y, Guarne, A.
Deposit date:2023-03-23
Release date:2024-07-31
Method:ELECTRON MICROSCOPY (3.57 Å)
Cite:Assembly of the Tn7 targeting complex by a regulated stepwise process.
Mol.Cell, 84, 2024
7T3A
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BU of 7t3a by Molmil
GATOR1-RAG-RAGULATOR - Inhibitory Complex
Descriptor: GATOR complex protein DEPDC5, GATOR complex protein NPRL2, GATOR complex protein NPRL3, ...
Authors:Egri, S.B, Shen, K.
Deposit date:2021-12-07
Release date:2022-04-06
Last modified:2024-12-25
Method:ELECTRON MICROSCOPY (4 Å)
Cite:Cryo-EM structures of the human GATOR1-Rag-Ragulator complex reveal a spatial-constraint regulated GAP mechanism.
Mol.Cell, 82, 2022
7T3C
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BU of 7t3c by Molmil
GATOR1-RAG-RAGULATOR - Dual Complex
Descriptor: ALUMINUM FLUORIDE, GATOR complex protein DEPDC5, GATOR complex protein NPRL2, ...
Authors:Egri, S.B, Shen, K.
Deposit date:2021-12-07
Release date:2022-04-06
Last modified:2024-12-25
Method:ELECTRON MICROSCOPY (4 Å)
Cite:Cryo-EM structures of the human GATOR1-Rag-Ragulator complex reveal a spatial-constraint regulated GAP mechanism.
Mol.Cell, 82, 2022
7T3B
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BU of 7t3b by Molmil
GATOR1-RAG-RAGULATOR - GAP Complex
Descriptor: ALUMINUM FLUORIDE, GATOR complex protein DEPDC5, GATOR complex protein NPRL2, ...
Authors:Egri, S.B, Shen, K.
Deposit date:2021-12-07
Release date:2022-04-06
Last modified:2024-12-25
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Cryo-EM structures of the human GATOR1-Rag-Ragulator complex reveal a spatial-constraint regulated GAP mechanism.
Mol.Cell, 82, 2022
1OIT
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BU of 1oit by Molmil
Imidazopyridines: a potent and selective class of Cyclin-dependent Kinase inhibitors identified through Structure-based hybridisation
Descriptor: 4-[(4-IMIDAZO[1,2-A]PYRIDIN-3-YLPYRIMIDIN-2-YL)AMINO]BENZENESULFONAMIDE, CELL DIVISION PROTEIN KINASE 2
Authors:Beattie, J.F, Breault, G.A, Byth, K.F, Culshaw, J.D, Ellston, R.P.A, Green, S, Minshull, C.A, Norman, R.A, Pauptit, R.A, Thomas, A.P, Jewsbury, P.J.
Deposit date:2003-06-24
Release date:2003-09-04
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Imidazo[1,2-A]Pyridines: A Potent and Selective Class of Cyclin-Dependent Kinase Inhibitors Identified Through Structure-Based Hybridisation
Bioorg.Med.Chem.Lett., 13, 2003
7TRB
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BU of 7trb by Molmil
CRYSTAL STRUCTURE OF FARNESOID X-ACTIVATED RECEPTOR COMPLEXED WITH COMPOUND-32 AKA (1S,3S)-N-({4-[5-(2-FLUOROPR OPAN-2-YL)-1,2,4-OXADIAZOL-3-YL]BICYCLO[2.2.2]OCTAN-1-YL}M ETHYL)-3-HYDROXY-N-[4'-(2-HYDROXYPROPAN-2-YL)-[1,1'-BIPHEN YL]-3-YL]-3-(TRIFLUOROMETHYL)CYCLOBUTANE-1-CARBOXAMIDE
Descriptor: (1s,3s)-N-({4-[5-(2-fluoropropan-2-yl)-1,2,4-oxadiazol-3-yl]bicyclo[2.2.2]octan-1-yl}methyl)-3-hydroxy-N-[4'-(2-hydroxypropan-2-yl)[1,1'-biphenyl]-3-yl]-3-(trifluoromethyl)cyclobutane-1-carboxamide, Bile acid receptor, co-activator
Authors:Khan, J.A, Ruzanov, M.
Deposit date:2022-01-28
Release date:2022-06-29
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Discovery of BMS-986339, a Pharmacologically Differentiated Farnesoid X Receptor Agonist for the Treatment of Nonalcoholic Steatohepatitis.
J.Med.Chem., 65, 2022

229380

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