Author results

3RVG
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CRYSTALS STRUCTURE OF JAK2 WITH A 1-AMINO-5H-PYRIDO[4,3-B]INDOL-4-CARBOXAMIDE INHIBITOR
Descriptor:Tyrosine-protein kinase JAK2, 1-(cyclohexylamino)-7-(1-methyl-1H-pyrazol-4-yl)-5H-pyrido[4,3-b]indole-4-carboxamide
Authors:Lim, J., Taoka, B., Otte, R.D., Spencer, K., Dinsmore, C.J., Altman, M.D., Chan, G., Rosenstein, C., Sharma, S., Su, H.P., Szewczak, A.A., Xu, L., Yin, H., Zugay-Murphy, J., Marshall, C.G., Young, J.R.
Deposit date:2011-05-06
Release date:2012-03-21
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (2.498 Å)
Cite:Discovery of 1-amino-5H-pyrido[4,3-b]indol-4-carboxamide inhibitors of Janus kinase 2 (JAK2) for the treatment of myeloproliferative disorders.
J.Med.Chem., 54, 2011
2L9F
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NMR SOLUTION STRUCTURE OF MEACP
Descriptor:CalE8
Authors:Lim, J., Yang, D., Liang, Z.X., Kong, R., Murugan, E., Ho, C.L.
Deposit date:2011-02-08
Release date:2011-06-15
Last modified:2012-06-27
Method:SOLUTION NMR
Cite:Solution structures of the acyl carrier protein domain from the highly reducing type I iterative polyketide synthase CalE8
Plos One, 6, 2011
2LUT
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NMR SOLUTION STRUCTURE OF MIDKINE-A
Descriptor:Midkine-related growth factor
Authors:Lim, J., Yang, D., Meng, D.
Deposit date:2012-06-21
Release date:2013-05-01
Method:SOLUTION NMR
Cite:Structural and Functional Characterization of Two Zebrafish Midkine Proteins Reveals Importance of the Conserved Hinge for Heparin Binding and Embryogenesis
To be Published
2LUU
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NMR SOLUTION STRUCTURE OF MIDKINE-B, MDKB
Descriptor:Midkine-related growth factor Mdk2
Authors:Yang, D., Lim, J., Meng, D.
Deposit date:2012-06-21
Release date:2013-05-01
Method:SOLUTION NMR
Cite:Structure-function analysis of full-length midkine reveals novel residues important for heparin binding and zebrafish embryogenesis.
Biochem.J., 451, 2013
2M6M
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SOLUTION STRUCTURE OF RING DOMAIN OF E3 UBIQUITIN LIGASE DOA10
Descriptor:ERAD-associated E3 ubiquitin-protein ligase DOA10, ZINC ION
Authors:Lim, J., Son, W.
Deposit date:2013-04-06
Release date:2014-05-07
Method:SOLUTION NMR
Cite:Solution structure of RING domain of E3 ubiquitin ligase Doa10
To be Published
5KE0
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DISCOVERY OF 1-1H-PYRAZOLO 4,3-C PYRIDINE-6-YL UREA INHIBITORS OF EXTRACELLULAR SIGNAL REGULATED KINASE ERK FOR THE TREATMENT OF CANCERS
Descriptor:Mitogen-activated protein kinase 1, 1-[3-(2-methylpyridin-4-yl)-1~{H}-pyrazolo[4,3-c]pyridin-6-yl]-3-(phenylmethyl)urea, SULFATE ION
Authors:Hruza, A., Lim, J.
Deposit date:2016-06-09
Release date:2016-07-06
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Discovery of 1-(1H-Pyrazolo[4,3-c]pyridin-6-yl)urea Inhibitors of Extracellular Signal-Regulated Kinase (ERK) for the Treatment of Cancers.
J.Med.Chem., 59, 2016
2QJ6
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CRYSTAL STRUCTURE ANALYSIS OF A 14 REPEAT C-TERMINAL FRAGMENT OF TOXIN TCDA IN CLOSTRIDIUM DIFFICILE
Descriptor:Toxin A
Authors:Albesa-Jove, D., Bertrand, T., Carpenter, L., Lim, J., Brown, K.A., Fairweather, N.
Deposit date:2007-07-06
Release date:2008-07-15
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Solution and crystal structures of the cell binding domain of toxins TcdA and TcdB from Clostridium difficile
To be Published
4Y73
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CRYSTAL STRUCTURE OF IRAK4 KINASE DOMAIN WITH INHIBITOR
Descriptor:Interleukin-1 receptor-associated kinase 4, 5-{[(1R,2S)-2-aminocyclohexyl]amino}-N-[1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
Authors:Lesburg, C.A.
Deposit date:2015-02-13
Release date:2015-05-20
Last modified:2015-07-15
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:Discovery of 5-Amino-N-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide Inhibitors of IRAK4.
Acs Med.Chem.Lett., 6, 2015
2L90
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SOLUTION STRUCTURE OF MURINE MYRISTOYLATED MSRA
Descriptor:Peptide methionine sulfoxide reductase, MYRISTIC ACID
Authors:Gruschus, J.M., Lim, J., Piszczek, G., Levine, R.L., Tjandra, N.
Deposit date:2011-01-27
Release date:2012-01-11
Last modified:2012-08-01
Method:SOLUTION NMR
Cite:Characterization and solution structure of mouse myristoylated methionine sulfoxide reductase A.
J.Biol.Chem., 287, 2012
4OK7
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STRUCTURE OF BACTERIOPHAGE SPN1S ENDOLYSIN FROM SALMONELLA TYPHIMURIUM
Descriptor:Endolysin, SULFATE ION, GLYCEROL
Authors:Park, Y., Lim, J., Kong, M., Ryu, S., Rhee, S.
Deposit date:2014-01-22
Release date:2014-03-19
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure of bacteriophage SPN1S endolysin reveals an unusual two-module fold for the peptidoglycan lytic and binding activity.
Mol.Microbiol., 92, 2014
4WYR
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CRYSTAL STRUCTURE OF THIOLASE MUTATION (V77Q,N153Y,A286K) FROM CLOSTRIDIUM ACETOBUTYLICUM
Descriptor:Acetyl-CoA acetyltransferase, GLYCEROL, DI(HYDROXYETHYL)ETHER
Authors:Kim, S., Ha, S.C., Ahn, J.W., Kim, E.J., Lim, J.H., Kim, K.J.
Deposit date:2014-11-18
Release date:2015-10-07
Last modified:2015-10-14
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Redox-switch regulatory mechanism of thiolase from Clostridium acetobutylicum
Nat Commun, 6, 2015
4WYS
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CRYSTAL STRUCTURE OF THIOLASE FROM ESCHERICHIA COLI
Descriptor:Acetyl-CoA acetyltransferase
Authors:Kim, S., Ha, S.C., Ahn, J.W., Kim, E.J., Lim, J.H., Kim, K.J.
Deposit date:2014-11-18
Release date:2015-10-07
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Redox-switch regulatory mechanism of thiolase from Clostridium acetobutylicum
Nat Commun, 6, 2015
4XL2
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CRYSTAL STRUCTURE OF OXIDIZED FORM OF THIOLASE FROM CLOSTRIDIUM ACETOBUTYLICUM
Descriptor:Acetyl-CoA acetyltransferase, ACETATE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Kim, S., Ha, S.C., Ahn, J.W., Kim, E.J., Lim, J.H., Kim, K.J.
Deposit date:2015-01-13
Release date:2015-10-07
Last modified:2018-10-17
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Redox-switch regulatory mechanism of thiolase from Clostridium acetobutylicum
Nat Commun, 6, 2015
4XL3
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CRYSTAL STRUCTURE OF REDUCED FORM OF THIOLASE FROM CLOSTRIDIUM ACETOBUTYLICUM
Descriptor:Acetyl-CoA acetyltransferase, GLYCEROL
Authors:Kim, S., Ha, S.C., Ahn, J.W., Kim, E.J., Lim, J.H., Kim, K.J.
Deposit date:2015-01-13
Release date:2015-10-07
Last modified:2015-10-14
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Redox-switch regulatory mechanism of thiolase from Clostridium acetobutylicum
Nat Commun, 6, 2015
4XL4
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CRYSTAL STRUCTURE OF THIOLASE FROM CLOSTRIDIUM ACETOBUTYLICUM IN COMPLEX WITH COA
Descriptor:Acetyl-CoA acetyltransferase, COENZYME A, GLYCEROL
Authors:Kim, S., Ha, S.C., Ahn, J.W., Kim, E.J., Lim, J.H., Kim, K.J.
Deposit date:2015-01-13
Release date:2015-10-07
Last modified:2015-10-14
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Redox-switch regulatory mechanism of thiolase from Clostridium acetobutylicum
Nat Commun, 6, 2015
1OZ1
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P38 MITOGEN-ACTIVATED KINASE IN COMPLEX WITH 4-AZAINDOLE INHIBITOR
Descriptor:Mitogen-activated protein kinase 14, 3-(4-FLUOROPHENYL)-2-PYRIDIN-4-YL-1H-PYRROLO[3,2-B]PYRIDIN-1-OL
Authors:Lovejoy, B., Villasenor, A., Browner, M., Dunten, P.
Deposit date:2003-04-07
Release date:2003-09-23
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Design and synthesis of 4-azaindoles as inhibitors of p38 MAP kinase.
J.Med.Chem., 46, 2003
5T1S
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IRAK4 KINASE - COMPOUND 1 CO-STRUCTURE
Descriptor:Interleukin-1 receptor-associated kinase 4, 5-[3-(3,5-dimethylphenyl)-4-[4-(methylamino)butyl]quinolin-6-yl]pyridin-3-ol
Authors:Fischmann, T.O.
Deposit date:2016-08-22
Release date:2017-05-03
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Identification of quinazoline based inhibitors of IRAK4 for the treatment of inflammation.
Bioorg. Med. Chem. Lett., 27, 2017
5T1T
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IRAK4 KINASE - COMPOUND 1 CO-STRUCTURE
Descriptor:Interleukin-1 receptor-associated kinase 4, ~{N},~{N}-dimethyl-4-(6-nitroquinazolin-4-yl)oxy-cyclohexan-1-amine
Authors:Fischmann, T.O.
Deposit date:2016-08-22
Release date:2017-05-03
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (2.34 Å)
Cite:Identification of quinazoline based inhibitors of IRAK4 for the treatment of inflammation.
Bioorg. Med. Chem. Lett., 27, 2017
3BWN
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L-TRYPTOPHAN AMINOTRANSFERASE
Descriptor:L-tryptophan aminotransferase, 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, PHOSPHATE ION, ...
Authors:Ferrer, J.-L., Noel, J.P., Pojer, F., Bowman, M., Chory, J., Tao, Y.
Deposit date:2008-01-10
Release date:2008-04-29
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Rapid synthesis of auxin via a new tryptophan-dependent pathway is required for shade avoidance in plants
Cell(Cambridge,Mass.), 133, 2008
3BWO
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L-TRYPTOPHAN AMINOTRANSFERASE
Descriptor:L-tryptophan aminotransferase
Authors:Ferrer, J.-L., Noel, J.P., Pojer, F., Bowman, M., Chory, J., Tao, Y.
Deposit date:2008-01-10
Release date:2009-03-03
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Rapid synthesis of auxin via a new tryptophan-dependent pathway is required for the shade avoidance response of plants
To be Published
4IX9
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CRYSTAL STRUCTURE OF SUBUNIT F OF V-ATPASE FROM S. CEREVISIAE
Descriptor:V-type proton ATPase subunit F, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLYCEROL
Authors:Basak, S., Balakrishna, A.M., Manimekalai, M.S.S., Gruber, G.
Deposit date:2013-01-24
Release date:2013-03-20
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:Crystal and NMR structures give insights into the role and dynamics of subunit F of the eukaryotic V-ATPase from Saccharomyces cerevisiae
J.Biol.Chem., 288, 2013
4Z1F
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CRYSTAL STRUCTURE OF HUMAN TRAP1 WITH PU-H71
Descriptor:Heat shock protein 75 kDa, mitochondrial, 8-[(6-IODO-1,3-BENZODIOXOL-5-YL)THIO]-9-[3-(ISOPROPYLAMINO)PROPYL]-9H-PURIN-6-AMINE
Authors:Lee, C., Park, H.K., Ryu, J.H., Kang, B.H.
Deposit date:2015-03-27
Release date:2015-04-22
Method:X-RAY DIFFRACTION (2.703 Å)
Cite:Development of a Mitochondria-Targeted Hsp90 Inhibitor Based on the Crystal Structures of Human TRAP1
J.Am.Chem.Soc., 137, 2015
4Z1G
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CRYSTAL STRUCTURE OF HUMAN TRAP1 WITH BIIB-021
Descriptor:Heat shock protein 75 kDa, mitochondrial, 6-chloro-9-[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]-9H-purin-2-amine
Authors:Lee, C., Park, H.K., Ryu, J.H., Kang, B.H.
Deposit date:2015-03-27
Release date:2015-04-22
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Development of a Mitochondria-Targeted Hsp90 Inhibitor Based on the Crystal Structures of Human TRAP1
J.Am.Chem.Soc., 137, 2015
4Z1H
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CRYSTAL STRUCTURE OF HUMAN TRAP1 WITH SMTIN-P01
Descriptor:Heat shock protein 75 kDa, mitochondrial, 8-[(6-iodo-1,3-benzodioxol-5-yl)sulfanyl]-9-[6-(triphenyl-lambda~5~-phosphanyl)hexyl]-9H-purin-6-amine
Authors:Lee, C., Park, H.K., Ryu, J.H., Kang, B.H.
Deposit date:2015-03-27
Release date:2015-04-22
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Development of a Mitochondria-Targeted Hsp90 Inhibitor Based on the Crystal Structures of Human TRAP1
J.Am.Chem.Soc., 137, 2015
4Z1I
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CRYSTAL STRUCTURE OF HUMAN TRAP1 WITH AMPPNP
Descriptor:Heat shock protein 75 kDa, mitochondrial, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
Authors:Lee, C., Park, H.K., Ryu, J.H., Kang, B.H.
Deposit date:2015-03-27
Release date:2015-04-29
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Development of a Mitochondria-Targeted Hsp90 Inhibitor Based on the Crystal Structures of Human TRAP1
J.Am.Chem.Soc., 137, 2015
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