Loading
PDBj
English日本語简体中文繁體中文한국어
✖
ﾒﾆｭｰPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help
Search by PDB author
4NVQ
DownloadVisualize
BU of 4nvq by Molmil
Human G9a in Complex with Inhibitor A-366
分子名称: 5'-methoxy-6'-[3-(pyrrolidin-1-yl)propoxy]spiro[cyclobutane-1,3'-indol]-2'-amine, Histone-lysine N-methyltransferase EHMT2, S-ADENOSYL-L-HOMOCYSTEINE, ...
著者Sweis, R.F, Pliushchev, M, Brown, P.J, Guo, J, Li, F, Maag, D, Petros, A.M, Soni, N.B, Tse, C, Vedadi, M, Michaelides, M.R, Chiang, G.G, Pappano, W.N.
登録日2013-12-05
公開日2014-01-15
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Discovery and development of potent and selective inhibitors of histone methyltransferase g9a.
ACS Med Chem Lett, 5, 2014
5UPE
DownloadVisualize
BU of 5upe by Molmil
Crystal structure of human NAMPT with isoindoline urea inhibitor compound 5
分子名称: N-{4-[(3-phenylpropyl)carbamoyl]phenyl}-2H-isoindole-2-carboxamide, Nicotinamide phosphoribosyltransferase
著者Longenecker, K.L, Raich, D, Korepanova, A.V.
登録日2017-02-02
公開日2017-06-28
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献SAR and characterization of non-substrate isoindoline urea inhibitors of nicotinamide phosphoribosyltransferase (NAMPT).
Bioorg. Med. Chem. Lett., 27, 2017
4YND
DownloadVisualize
BU of 4ynd by Molmil
The Discovery of A-893, A New Cell-Active Benzoxazinone Inhibitor of Lysine Methyltransferase SMYD2
分子名称: N-cyclohexyl-N~3~-[2-(3,4-dichlorophenyl)ethyl]-N-(2-{[(2R)-2-hydroxy-2-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-8-yl)ethyl]amino}ethyl)-beta-alaninamide, N-lysine methyltransferase SMYD2, S-ADENOSYLMETHIONINE, ...
著者Sweis, R.F, Wang, Z, Algire, M, Arrowsmith, C.H, Brown, P.J, Chiang, G.C, Guo, J, Jakob, C.G, Kennedy, S, Li, F, Soni, N.B, Vedadi, M, Pappano, W.N.
登録日2015-03-09
公開日2015-05-20
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.79 Å)
主引用文献Discovery of A-893, A New Cell-Active Benzoxazinone Inhibitor of Lysine Methyltransferase SMYD2.
Acs Med.Chem.Lett., 6, 2015
5K0M
DownloadVisualize
BU of 5k0m by Molmil
Targeting the PRC2 complex through a novel protein-protein interaction inhibitor of EED
分子名称: (3R,4S)-1-[(1S)-7-fluoro-2,3-dihydro-1H-inden-1-yl]-N,N-dimethyl-4-{4-[4-(methylsulfonyl)piperazin-1-yl]phenyl}pyrrolidin-3-amine, Polycomb protein EED
著者Jakob, C.G, Bigelow, L.J, Zhu, H, Sun, C.
登録日2016-05-17
公開日2017-01-25
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献The EED protein-protein interaction inhibitor A-395 inactivates the PRC2 complex.
Nat. Chem. Biol., 13, 2017
5KJ2
DownloadVisualize
BU of 5kj2 by Molmil
The novel p300/CBP inhibitor A-485 uncovers a unique mechanism of action to target AR in castrate resistant prostate cancer
分子名称: Histone acetyltransferase p300, N-[(4-fluorophenyl)methyl]-2-{(1R)-5-[(methylcarbamoyl)amino]-2',4'-dioxo-2,3-dihydro-3'H-spiro[indene-1,5'-[1,3]oxazolidin]-3'-yl}-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide, SODIUM ION
著者Jakob, C.G, Qiu, W, Edalji, R.P, Sun, C.
登録日2016-06-17
公開日2017-09-27
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Discovery of a selective catalytic p300/CBP inhibitor that targets lineage-specific tumours.
Nature, 550, 2017
5CPR
DownloadVisualize
BU of 5cpr by Molmil
The novel SUV4-20 inhibitor A-196 verifies a role for epigenetics in genomic integrity
分子名称: 6,7-dichloro-N-cyclopentyl-4-(pyridin-4-yl)phthalazin-1-amine, Histone-lysine N-methyltransferase SUV420H1, S-ADENOSYLMETHIONINE, ...
著者Jakob, C.G, Upadhyay, A.K, Sun, C.
登録日2015-07-21
公開日2017-01-25
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.22 Å)
主引用文献The SUV4-20 inhibitor A-196 verifies a role for epigenetics in genomic integrity.
Nat. Chem. Biol., 13, 2017
2GAQ
DownloadVisualize
BU of 2gaq by Molmil
NMR SOLUTION STRUCTURE OF THE FRB DOMAIN OF mTOR
分子名称: FKBP12-rapamycin complex-associated protein
著者Leone, M, Pellecchia, M.
登録日2006-03-09
公開日2006-08-08
最終更新日2022-03-09
実験手法SOLUTION NMR
主引用文献The FRB Domain of mTOR: NMR Solution Structure and Inhibitor Design.
Biochemistry, 45, 2006
5U69
DownloadVisualize
BU of 5u69 by Molmil
Polycomb protein EED in complex with inhibitor: (3R,4S)-1-[(2-methoxyphenyl)methyl]-N,N-dimethyl-4-(1-methylindol-3-yl)pyrrolidin-3-amine
分子名称: (3R,4S)-1-[(2-methoxyphenyl)methyl]-N,N-dimethyl-4-(1-methylindol-3-yl)pyrrolidin-3-amine, Polycomb protein EED
著者Jakob, C.G, Zhu, H.
登録日2016-12-07
公開日2017-03-15
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.28 Å)
主引用文献SAR of amino pyrrolidines as potent and novel protein-protein interaction inhibitors of the PRC2 complex through EED binding.
Bioorg. Med. Chem. Lett., 27, 2017
5U2N
DownloadVisualize
BU of 5u2n by Molmil
Crystal structure of human NAMPT with A-1326133
分子名称: N-{4-[1-(2-methylpropanoyl)piperidin-4-yl]phenyl}-2H-pyrrolo[3,4-c]pyridine-2-carboxamide, Nicotinamide phosphoribosyltransferase, SULFATE ION
著者Longenecker, K.L, Raich, D, Korepanova, A.V.
登録日2016-11-30
公開日2017-06-28
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献Discovery and Characterization of Novel Nonsubstrate and Substrate NAMPT Inhibitors.
Mol. Cancer Ther., 16, 2017
5U8F
DownloadVisualize
BU of 5u8f by Molmil
Polycomb protein EED in complex with inhibitor: (3R,4S)-1-[(1S)-7-fluoro-2,3-dihydro-1H-inden-1-yl]-N,N-dimethyl-4-(1-methyl-1H-indol-3-yl)pyrrolidin-3-amine
分子名称: (3R,4S)-1-[(1S)-7-fluoro-2,3-dihydro-1H-inden-1-yl]-N,N-dimethyl-4-(1-methyl-1H-indol-3-yl)pyrrolidin-3-amine, Polycomb protein EED
著者Jakob, C.G, Zhu, H.
登録日2016-12-14
公開日2017-03-15
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.343 Å)
主引用文献SAR of amino pyrrolidines as potent and novel protein-protein interaction inhibitors of the PRC2 complex through EED binding.
Bioorg. Med. Chem. Lett., 27, 2017
5U2M
DownloadVisualize
BU of 5u2m by Molmil
Crystal structure of human NAMPT with A-1293201
分子名称: N-[4-({[(3S)-oxolan-3-yl]methyl}carbamoyl)phenyl]-1,3-dihydro-2H-isoindole-2-carboxamide, Nicotinamide phosphoribosyltransferase, SULFATE ION
著者Longenecker, K.L, Raich, D, Korepanova, A.V.
登録日2016-11-30
公開日2017-06-28
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Discovery and Characterization of Novel Nonsubstrate and Substrate NAMPT Inhibitors.
Mol. Cancer Ther., 16, 2017
5U8A
DownloadVisualize
BU of 5u8a by Molmil
Polycomb protein EED in complex with inhibitor: (3R,4S)-1-[(2-bromo-6-fluorophenyl)methyl]-N,N-dimethyl-4-(1-methyl-1H-indol-3-yl)pyrrolidin-3-amine
分子名称: (3R,4S)-1-[(2-bromo-6-fluorophenyl)methyl]-N,N-dimethyl-4-(1-methyl-1H-indol-3-yl)pyrrolidin-3-amine, Polycomb protein EED
著者Jakob, C.G, Zhu, H.
登録日2016-12-14
公開日2017-03-15
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献SAR of amino pyrrolidines as potent and novel protein-protein interaction inhibitors of the PRC2 complex through EED binding.
Bioorg. Med. Chem. Lett., 27, 2017
5U6D
DownloadVisualize
BU of 5u6d by Molmil
Polycomb protein EED in complex with inhibitor: 2-[4-(4-{(3S,4R)-4-(dimethylamino)-1-[(2-fluoro-6-methylphenyl)methyl]pyrrolidin-3-yl}phenyl)-1H-pyrazol-1-yl]acetamide
分子名称: 2-[4-(4-{(3S,4R)-4-(dimethylamino)-1-[(2-fluoro-6-methylphenyl)methyl]pyrrolidin-3-yl}phenyl)-1H-pyrazol-1-yl]acetamide, Polycomb protein EED
著者Jakob, C.G, Zhu, H.
登録日2016-12-07
公開日2017-03-15
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献SAR of amino pyrrolidines as potent and novel protein-protein interaction inhibitors of the PRC2 complex through EED binding.
Bioorg. Med. Chem. Lett., 27, 2017
5UPF
DownloadVisualize
BU of 5upf by Molmil
Crystal structure of human NAMPT with isoindoline urea inhibitor compound 53
分子名称: 5-fluoro-N-{4-[1-(2-hydroxy-2-methylpropanoyl)piperidin-4-yl]phenyl}-2H-isoindole-2-carboxamide, Nicotinamide phosphoribosyltransferase
著者Longenecker, K.L, Raich, D, Korepanova, A.V.
登録日2017-02-02
公開日2017-06-28
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献SAR and characterization of non-substrate isoindoline urea inhibitors of nicotinamide phosphoribosyltransferase (NAMPT).
Bioorg. Med. Chem. Lett., 27, 2017
6CJ5
DownloadVisualize
BU of 6cj5 by Molmil
Crystal Structure of Mnk2-D228G in Complex With Inhibitor
分子名称: 3-(pyridin-3-yl)imidazo[1,2-a]pyridine-8-carboxamide, MAP kinase-interacting serine/threonine-protein kinase 2, ZINC ION
著者Han, Q.
登録日2018-02-26
公開日2018-05-09
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structure-based Design of Pyridone-Aminal eFT508 Targeting Dysregulated Translation by Selective Mitogen-activated Protein Kinase Interacting Kinases 1 and 2 (MNK1/2) Inhibition.
J. Med. Chem., 61, 2018
6CK6
DownloadVisualize
BU of 6ck6 by Molmil
Crystal Structure of Mnk2-D228G in complex with Inhibitor
分子名称: 6'-[(6-aminopyrimidin-4-yl)amino]-8'-methyl-2'H-spiro[cyclohexane-1,3'-imidazo[1,5-a]pyridine]-1',5'-dione, MAP kinase-interacting serine/threonine-protein kinase 2, ZINC ION
著者Han, Q.
登録日2018-02-27
公開日2018-05-09
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (3.32 Å)
主引用文献Structure-based Design of Pyridone-Aminal eFT508 Targeting Dysregulated Translation by Selective Mitogen-activated Protein Kinase Interacting Kinases 1 and 2 (MNK1/2) Inhibition.
J. Med. Chem., 61, 2018
6CKI
DownloadVisualize
BU of 6cki by Molmil
Co-crystal structure of MNK2 in Complex With Inhibitor
分子名称: 3,3-dimethyl-6-[(pyrimidin-4-yl)amino]-2,3-dihydroimidazo[1,5-a]pyridine-1,5-dione, MAP kinase-interacting serine/threonine-protein kinase 2, ZINC ION
著者Han, Q.
登録日2018-02-28
公開日2018-05-09
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献Structure-based Design of Pyridone-Aminal eFT508 Targeting Dysregulated Translation by Selective Mitogen-activated Protein Kinase Interacting Kinases 1 and 2 (MNK1/2) Inhibition.
J. Med. Chem., 61, 2018
6CJH
DownloadVisualize
BU of 6cjh by Molmil
Co-crystal structure of MNK2 in complex with an inhibitor
分子名称: 3-phenyl-5-(pyridin-4-yl)-1H-indazole, MAP kinase-interacting serine/threonine-protein kinase 2, ZINC ION
著者Han, Q.
登録日2018-02-26
公開日2018-05-09
実験手法X-RAY DIFFRACTION (3.6 Å)
主引用文献Structure-based Design of Pyridone-Aminal eFT508 Targeting Dysregulated Translation by Selective Mitogen-activated Protein Kinase Interacting Kinases 1 and 2 (MNK1/2) Inhibition.
J. Med. Chem., 61, 2018
6CJE
DownloadVisualize
BU of 6cje by Molmil
Crystal Structure of Mnk2-D228G in complex with Inhibitor
分子名称: 4-[(9H-purin-6-yl)amino]benzamide, MAP kinase-interacting serine/threonine-protein kinase 2, ZINC ION
著者Han, Q.
登録日2018-02-26
公開日2018-05-09
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (3.36 Å)
主引用文献Structure-based Design of Pyridone-Aminal eFT508 Targeting Dysregulated Translation by Selective Mitogen-activated Protein Kinase Interacting Kinases 1 and 2 (MNK1/2) Inhibition.
J. Med. Chem., 61, 2018
6CJY
DownloadVisualize
BU of 6cjy by Molmil
Crystal Structure of Mnk2-D228G in complex with Inhibitor
分子名称: 5-[(7H-purin-6-yl)amino]-1H-isoindol-1-one, MAP kinase-interacting serine/threonine-protein kinase 2, ZINC ION
著者Han, Q.
登録日2018-02-27
公開日2018-05-09
実験手法X-RAY DIFFRACTION (3.05 Å)
主引用文献Structure-based Design of Pyridone-Aminal eFT508 Targeting Dysregulated Translation by Selective Mitogen-activated Protein Kinase Interacting Kinases 1 and 2 (MNK1/2) Inhibition.
J. Med. Chem., 61, 2018
6CK3
DownloadVisualize
BU of 6ck3 by Molmil
Co-crytsal Structure of MNK2 in Complex With an Inhibitor
分子名称: (3R)-3-methyl-5-[(pyrimidin-4-yl)amino]-2,3-dihydro-1H-isoindol-1-one, CHLORIDE ION, MAP kinase-interacting serine/threonine-protein kinase 2, ...
著者Han, Q.
登録日2018-02-27
公開日2018-05-09
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structure-based Design of Pyridone-Aminal eFT508 Targeting Dysregulated Translation by Selective Mitogen-activated Protein Kinase Interacting Kinases 1 and 2 (MNK1/2) Inhibition.
J. Med. Chem., 61, 2018
6CJW
DownloadVisualize
BU of 6cjw by Molmil
Crystal Structure of Mnk2-D228G in Complex With Inhibitor
分子名称: 3-(pyridin-4-yl)imidazo[1,2-b]pyridazine, MAP kinase-interacting serine/threonine-protein kinase 2, ZINC ION
著者Han, Q.
登録日2018-02-27
公開日2018-05-09
実験手法X-RAY DIFFRACTION (3.38 Å)
主引用文献Structure-based Design of Pyridone-Aminal eFT508 Targeting Dysregulated Translation by Selective Mitogen-activated Protein Kinase Interacting Kinases 1 and 2 (MNK1/2) Inhibition.
J. Med. Chem., 61, 2018

219140

件を2024-05-01に公開中

PDB statisticsPDBj update infoContact PDBjnumon