Loading
PDBj
MenuPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help
Search by PDB author
1IYL
DownloadVisualize
BU of 1iyl by Molmil
Crystal Structure of Candida albicans N-myristoyltransferase with Non-peptidic Inhibitor
Descriptor: (1-METHYL-1H-IMIDAZOL-2-YL)-(3-METHYL-4-{3-[(PYRIDIN-3-YLMETHYL)-AMINO]-PROPOXY}-BENZOFURAN-2-YL)-METHANONE, Myristoyl-CoA:Protein N-Myristoyltransferase
Authors:Sogabe, S, Fukami, T.A, Morikami, K, Shiratori, Y, Aoki, Y, D'Arcy, A, Winkler, F.K, Banner, D.W, Ohtsuka, T.
Deposit date:2002-08-29
Release date:2002-12-30
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Crystal Structures of Candida albicans N-Myristoyltransferase with Two Distinct Inhibitors
CHEM.BIOL., 9, 2002
1IYK
DownloadVisualize
BU of 1iyk by Molmil
Crystal structure of candida albicans N-myristoyltransferase with myristoyl-COA and peptidic inhibitor
Descriptor: MYRISTOYL-COA:PROTEIN N-MYRISTOYLTRANSFERASE, TETRADECANOYL-COA, [CYCLOHEXYLETHYL]-[[[[4-[2-METHYL-1-IMIDAZOLYL-BUTYL]PHENYL]ACETYL]-SERYL]-LYSINYL]-AMINE
Authors:Sogabe, S, Fukami, T.A, Morikami, K, Shiratori, Y, Aoki, Y, D'Arcy, A, Winkler, F.K, Banner, D.W, Ohtsuka, T.
Deposit date:2002-08-29
Release date:2002-12-30
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal Structures of Candida albicans N-Myristoyltransferase with Two Distinct Inhibitors
CHEM.BIOL., 9, 2002
5B7V
DownloadVisualize
BU of 5b7v by Molmil
Human FGFR1 kinase in complex with CH5183284
Descriptor: Fibroblast growth factor receptor 1, SULFATE ION, [5-amino-1-(2-methyl-1H-benzimidazol-6-yl)-1H-pyrazol-4-yl](1H-indol-2-yl)methanone
Authors:Fukami, T.A, Lukacs, C.M, Janson, C.
Deposit date:2016-06-09
Release date:2016-06-22
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:The fibroblast growth factor receptor genetic status as a potential predictor of the sensitivity to CH5183284/Debio 1347, a novel selective FGFR inhibitor
Mol.Cancer Ther., 13, 2014
2ZIS
DownloadVisualize
BU of 2zis by Molmil
Crystal Structure of rat protein farnesyltransferase complexed with a bezoruran inhibitor and FPP
Descriptor: 3-{2-[(S)-(4-cyanophenyl)(hydroxy)(1-methyl-1H-imidazol-5-yl)methyl]-5-nitro-1-benzofuran-7-yl}benzonitrile, ACETIC ACID, FARNESYL DIPHOSPHATE, ...
Authors:Fukami, T.A, Sogabe, S, Nagata, Y, Kondoh, O, Ishii, N.
Deposit date:2008-02-22
Release date:2009-02-24
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Synthesis and structure-activity relationships of novel benzofuran farnesyltransferase inhibitors
Bioorg.Med.Chem.Lett., 19, 2009
2ZIR
DownloadVisualize
BU of 2zir by Molmil
Crystal Structure of rat protein farnesyltransferase complexed with a benzofuran inhibitor and FPP
Descriptor: 2-[(S)-(4-chlorophenyl)(hydroxy)(1-methyl-1H-imidazol-5-yl)methyl]-N-morpholin-4-yl-7-phenyl-1-benzofuran-5-carboxamide, FARNESYL DIPHOSPHATE, GLYCEROL, ...
Authors:Fukami, T.A, Sogabe, S, Nagata, Y, Kondoh, O, Ishii, N.
Deposit date:2008-02-22
Release date:2009-02-24
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Synthesis and structure-activity relationships of novel benzofuran farnesyltransferase inhibitors
Bioorg.Med.Chem.Lett., 19, 2009
7D1C
DownloadVisualize
BU of 7d1c by Molmil
Crystal structure of mouse Cryptochrome 1 in complex with compound TH303
Descriptor: Cryptochrome-1, N-[2-(4-methoxyphenyl)-5,5-bis(oxidanylidene)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-4-(phenylcarbonyl)benzamide
Authors:Miller, S.A, Hirota, T.
Deposit date:2020-09-14
Release date:2021-01-27
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Photopharmacological Manipulation of Mammalian CRY1 for Regulation of the Circadian Clock.
J.Am.Chem.Soc., 143, 2021
7D19
DownloadVisualize
BU of 7d19 by Molmil
Crystal structure of mouse Cryptochrome 1 in complex with compound TH129
Descriptor: Cryptochrome-1, N-[2-(2,4-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-4-(phenylcarbonyl)benzamide
Authors:Miller, S.A, Hirota, T.
Deposit date:2020-09-14
Release date:2021-01-27
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Photopharmacological Manipulation of Mammalian CRY1 for Regulation of the Circadian Clock.
J.Am.Chem.Soc., 143, 2021
3B26
DownloadVisualize
BU of 3b26 by Molmil
Hsp90 alpha N-terminal domain in complex with an inhibitor Ro1127850
Descriptor: 4-(1H,3H-benzo[de]isochromen-6-yl)-6-methylpyrimidin-2-amine, Heat shock protein HSP 90-alpha
Authors:Fukami, T.A, Ono, N.
Deposit date:2011-07-21
Release date:2011-09-14
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Lead generation of heat shock protein 90 inhibitors by a combination of fragment-based approach, virtual screening, and structure-based drug design
Bioorg.Med.Chem.Lett., 21, 2011
3B24
DownloadVisualize
BU of 3b24 by Molmil
Hsp90 alpha N-terminal domain in complex with an aminotriazine fragment molecule
Descriptor: 4-(ethylsulfanyl)-6-methyl-1,3,5-triazin-2-amine, Heat shock protein HSP 90-alpha, MAGNESIUM ION
Authors:Fukami, T.A, Ono, N.
Deposit date:2011-07-21
Release date:2011-09-14
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Lead generation of heat shock protein 90 inhibitors by a combination of fragment-based approach, virtual screening, and structure-based drug design
Bioorg.Med.Chem.Lett., 21, 2011
3B27
DownloadVisualize
BU of 3b27 by Molmil
Hsp90 alpha N-terminal domain in complex with an inhibitor Ro4919127
Descriptor: 4-(2-chlorophenyl)-6-(methylsulfanyl)-1,3,5-triazin-2-amine, Heat shock protein HSP 90-alpha
Authors:Fukami, T.A, Ono, N.
Deposit date:2011-07-21
Release date:2011-09-14
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Lead generation of heat shock protein 90 inhibitors by a combination of fragment-based approach, virtual screening, and structure-based drug design
Bioorg.Med.Chem.Lett., 21, 2011
3B25
DownloadVisualize
BU of 3b25 by Molmil
Hsp90 alpha N-terminal domain in complex with an inhibitor CH4675194
Descriptor: 4-Methyl-6-(toluene-4-sulfonyl)-pyrimidin-2-ylamine, Heat shock protein HSP 90-alpha
Authors:Fukami, T.A, Ono, N.
Deposit date:2011-07-21
Release date:2011-09-14
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Lead generation of heat shock protein 90 inhibitors by a combination of fragment-based approach, virtual screening, and structure-based drug design
Bioorg.Med.Chem.Lett., 21, 2011
3B28
DownloadVisualize
BU of 3b28 by Molmil
Hsp90 alpha N-terminal domain in complex with an inhibitor CH5015765
Descriptor: 4-(5-chloro-1H,3H-benzo[de]isochromen-6-yl)-6-(methylsulfanyl)-1,3,5-triazin-2-amine, GLYCEROL, Heat shock protein HSP 90-alpha, ...
Authors:Fukami, T.A, Ono, N.
Deposit date:2011-07-21
Release date:2011-09-14
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Lead generation of heat shock protein 90 inhibitors by a combination of fragment-based approach, virtual screening, and structure-based drug design
Bioorg.Med.Chem.Lett., 21, 2011
3AOX
DownloadVisualize
BU of 3aox by Molmil
X-ray crystal structure of human anaplastic lymphoma kinase in complex with CH5424802
Descriptor: 1,2-ETHANEDIOL, 9-ethyl-6,6-dimethyl-8-[4-(morpholin-4-yl)piperidin-1-yl]-11-oxo-6,11-dihydro-5H-benzo[b]carbazole-3-carbonitrile, ALK tyrosine kinase receptor
Authors:Nagel, S, Moertl, M, Jestel, A, Fukami, T.A.
Deposit date:2010-10-08
Release date:2011-05-25
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:CH5424802, a selective ALK inhibitor capable of blocking the resistant gatekeeper mutant
Cancer Cell, 19, 2011
3APD
DownloadVisualize
BU of 3apd by Molmil
Crystal structure of human PI3K-gamma in complex with CH5108134
Descriptor: 5-(2-Morpholin-4-yl-7-pyridin-3-yl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl)-pyrimidin-2-ylamine, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION
Authors:Nakamura, M, Fukami, T.A, Miyazaki, T, Yoshida, M.
Deposit date:2010-10-14
Release date:2011-04-13
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Discovery and biological activity of a novel class I PI3K inhibitor, CH5132799
Bioorg.Med.Chem.Lett., 21, 2011
3APC
DownloadVisualize
BU of 3apc by Molmil
Crystal structure of human PI3K-gamma in complex with CH5132799
Descriptor: 5-(7-Methanesulfonyl-2-morpholin-4-yl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl)-pyrimidin-2-ylamine, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION
Authors:Nakamura, M, Fukami, T.A, Miyazaki, T, Yoshida, M.
Deposit date:2010-10-14
Release date:2011-04-13
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.544 Å)
Cite:Discovery and biological activity of a novel class I PI3K inhibitor, CH5132799
Bioorg.Med.Chem.Lett., 21, 2011
3APF
DownloadVisualize
BU of 3apf by Molmil
Crystal structure of human PI3K-gamma in complex with CH5039699
Descriptor: 3-[7-(1H-benzimidazol-5-yl)-2-(morpholin-4-yl)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]phenol, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION
Authors:Nakamura, M, Fukami, T.A, Miyazaki, T, Yoshida, M.
Deposit date:2010-10-14
Release date:2011-04-13
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.82 Å)
Cite:Discovery and biological activity of a novel class I PI3K inhibitor, CH5132799
Bioorg.Med.Chem.Lett., 21, 2011
3VS2
DownloadVisualize
BU of 3vs2 by Molmil
Crystal structure of HCK complexed with a pyrrolo-pyrimidine inhibitor 7-[cis-4-(4-methylpiperazin-1-yl)cyclohexyl]-5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
Descriptor: 7-[cis-4-(4-methylpiperazin-1-yl)cyclohexyl]-5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine, CALCIUM ION, CHLORIDE ION, ...
Authors:Kuratani, M, Tomabechi, Y, Niwa, H, Parker, J.L, Handa, N, Yokoyama, S.
Deposit date:2012-04-21
Release date:2013-05-01
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.609 Å)
Cite:A Pyrrolo-Pyrimidine Derivative Targets Human Primary AML Stem Cells in Vivo
Sci Transl Med, 5, 2013
3VRY
DownloadVisualize
BU of 3vry by Molmil
Crystal structure of HCK complexed with a pyrrolo-pyrimidine inhibitor 4-Amino-5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl-cyclopentane
Descriptor: 4-Amino-5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl-cyclopentane, CALCIUM ION, CHLORIDE ION, ...
Authors:Kuratani, M, Tomabechi, Y, Niwa, H, Handa, N, Yokoyama, S.
Deposit date:2012-04-21
Release date:2013-05-01
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.481 Å)
Cite:A Pyrrolo-Pyrimidine Derivative Targets Human Primary AML Stem Cells in Vivo
Sci Transl Med, 5, 2013
3VS7
DownloadVisualize
BU of 3vs7 by Molmil
Crystal structure of HCK complexed with a pyrazolo-pyrimidine inhibitor 1-cyclopentyl-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
Descriptor: 1-cyclopentyl-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, CALCIUM ION, CHLORIDE ION, ...
Authors:Kuratani, M, Honda, K, Niwa, H, Toyama, M, Handa, N, Yokoyama, S.
Deposit date:2012-04-21
Release date:2013-05-01
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (3.001 Å)
Cite:A Pyrrolo-Pyrimidine Derivative Targets Human Primary AML Stem Cells in Vivo
Sci Transl Med, 5, 2013
3VRZ
DownloadVisualize
BU of 3vrz by Molmil
Crystal structure of HCK complexed with a pyrrolo-pyrimidine inhibitor 1-[4-(4-amino-7-cyclopentyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]-3-benzylurea
Descriptor: 1-[4-(4-amino-7-cyclopentyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]-3-benzylurea, CALCIUM ION, CHLORIDE ION, ...
Authors:Kuratani, M, Tomabechi, Y, Handa, N, Yokoyama, S.
Deposit date:2012-04-21
Release date:2013-05-01
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.218 Å)
Cite:A Pyrrolo-Pyrimidine Derivative Targets Human Primary AML Stem Cells in Vivo
Sci Transl Med, 5, 2013
3VS1
DownloadVisualize
BU of 3vs1 by Molmil
Crystal structure of HCK complexed with a pyrrolo-pyrimidine inhibitor 1-[4-(4-amino-7-cyclopentyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]-3-phenylurea
Descriptor: 1-[4-(4-amino-7-cyclopentyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]-3-phenylurea, CALCIUM ION, CHLORIDE ION, ...
Authors:Kuratani, M, Tomabechi, Y, Toyama, M, Handa, N, Yokoyama, S.
Deposit date:2012-04-21
Release date:2013-05-01
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.464 Å)
Cite:A Pyrrolo-Pyrimidine Derivative Targets Human Primary AML Stem Cells in Vivo
Sci Transl Med, 5, 2013
3VS4
DownloadVisualize
BU of 3vs4 by Molmil
Crystal structure of HCK complexed with a pyrrolo-pyrimidine inhibitor 5-(4-phenoxyphenyl)-7-(tetrahydro-2H-pyran-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
Descriptor: 5-(4-phenoxyphenyl)-7-(tetrahydro-2H-pyran-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine, CALCIUM ION, CHLORIDE ION, ...
Authors:Kuratani, M, Tomabechi, Y, Handa, N, Yokoyama, S.
Deposit date:2012-04-21
Release date:2013-05-01
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.747 Å)
Cite:A Pyrrolo-Pyrimidine Derivative Targets Human Primary AML Stem Cells in Vivo
Sci Transl Med, 5, 2013
3VS3
DownloadVisualize
BU of 3vs3 by Molmil
Crystal structure of HCK complexed with a pyrrolo-pyrimidine inhibitor 7-[trans-4-(4-methylpiperazin-1-yl)cyclohexyl]-5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
Descriptor: 7-[trans-4-(4-methylpiperazin-1-yl)cyclohexyl]-5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine, CALCIUM ION, CHLORIDE ION, ...
Authors:Kuratani, M, Tomaebchi, Y, Handa, N, Yokoyama, S.
Deposit date:2012-04-21
Release date:2013-05-01
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.17 Å)
Cite:A Pyrrolo-Pyrimidine Derivative Targets Human Primary AML Stem Cells in Vivo
Sci Transl Med, 5, 2013
3VS0
DownloadVisualize
BU of 3vs0 by Molmil
Crystal structure of HCK complexed with a pyrrolo-pyrimidine inhibitor N-[4-(4-amino-7-cyclopentyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]benzamide
Descriptor: CALCIUM ION, CHLORIDE ION, N-[4-(4-amino-7-cyclopentyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]benzamide, ...
Authors:Kuratani, M, Honda, K, Tomabechi, Y, Handa, N, Yokoyama, S.
Deposit date:2012-04-21
Release date:2013-05-01
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.934 Å)
Cite:A Pyrrolo-Pyrimidine Derivative Targets Human Primary AML Stem Cells in Vivo
Sci Transl Med, 5, 2013
3VS5
DownloadVisualize
BU of 3vs5 by Molmil
Crystal structure of HCK complexed with a pyrrolo-pyrimidine inhibitor 7-(1-methylpiperidin-4-yl)-5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
Descriptor: 7-(1-methylpiperidin-4-yl)-5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine, CALCIUM ION, Tyrosine-protein kinase HCK
Authors:Kuratani, M, Tomabechi, Y, Handa, N, Yokoyama, S.
Deposit date:2012-04-21
Release date:2013-05-01
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.851 Å)
Cite:A Pyrrolo-Pyrimidine Derivative Targets Human Primary AML Stem Cells in Vivo
Sci Transl Med, 5, 2013

 

12>

217157

PDB entries from 2024-03-13

PDB statisticsPDBj update infoContact PDBjnumon