1Q7G
| Homoserine Dehydrogenase in complex with suicide inhibitor complex NAD-5-hydroxy-4-Oxonorvaline | Descriptor: | Homoserine dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE-5-HYDROXY-4-OXONORVALINE, SODIUM ION | Authors: | Jacques, S.L, Mirza, I.A, Ejim, L, Koteva, K, Hughes, D.W, Green, K, Kinach, R, Honek, J.F, Lai, H.K, Berghuis, A.M, Wright, G.D. | Deposit date: | 2003-08-18 | Release date: | 2003-10-21 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Enzyme assisted suicide: Molecular basis for the antifungal activity of 5-hydroxy-4-oxonorvaline by potent inhibition of homoserine dehydrogenase Chem.Biol., 10, 2003
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4Y2H
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4X63
| Crystal structure of PRMT5:MEP50 with EPZ015666 and SAH | Descriptor: | Methylosome protein 50, N-[(2S)-3-(3,4-dihydroisoquinolin-2(1H)-yl)-2-hydroxypropyl]-6-(oxetan-3-ylamino)pyrimidine-4-carboxamide, Protein arginine N-methyltransferase 5, ... | Authors: | Boriack-Sjodin, P.A. | Deposit date: | 2014-12-06 | Release date: | 2015-04-22 | Last modified: | 2015-05-27 | Method: | X-RAY DIFFRACTION (3.05 Å) | Cite: | A selective inhibitor of PRMT5 with in vivo and in vitro potency in MCL models. Nat.Chem.Biol., 11, 2015
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4X60
| Crystal structure of PRMT5:MEP50 with EPZ015666 and sinefungin | Descriptor: | GLYCEROL, Methylosome protein 50, N-[(2S)-3-(3,4-dihydroisoquinolin-2(1H)-yl)-2-hydroxypropyl]-6-(oxetan-3-ylamino)pyrimidine-4-carboxamide, ... | Authors: | Boriack-Sjodin, P.A. | Deposit date: | 2014-12-06 | Release date: | 2015-04-22 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | A selective inhibitor of PRMT5 with in vivo and in vitro potency in MCL models. Nat.Chem.Biol., 11, 2015
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4X61
| Crystal structure of PRMT5:MEP50 with EPZ015666 and SAM | Descriptor: | GLYCEROL, Methylosome protein 50, N-[(2S)-3-(3,4-dihydroisoquinolin-2(1H)-yl)-2-hydroxypropyl]-6-(oxetan-3-ylamino)pyrimidine-4-carboxamide, ... | Authors: | Boriack-Sjodin, P.A. | Deposit date: | 2014-12-06 | Release date: | 2015-04-22 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | A selective inhibitor of PRMT5 with in vivo and in vitro potency in MCL models. Nat.Chem.Biol., 11, 2015
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4Y30
| Crystal structure of human protein arginine methyltransferase PRMT6 bound to SAH and EPZ020411 | Descriptor: | GLYCEROL, MAGNESIUM ION, N,N'-dimethyl-N-({3-[4-({trans-3-[2-(tetrahydro-2H-pyran-4-yl)ethoxy]cyclobutyl}oxy)phenyl]-1H-pyrazol-4-yl}methyl)ethane-1,2-diamine, ... | Authors: | Swinger, K.K, Boriack-Sjodin, P.A. | Deposit date: | 2015-02-10 | Release date: | 2015-04-22 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Aryl Pyrazoles as Potent Inhibitors of Arginine Methyltransferases: Identification of the First PRMT6 Tool Compound. Acs Med.Chem.Lett., 6, 2015
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2OU7
| Structure of the Catalytic Domain of Human Polo-like Kinase 1 | Descriptor: | ACETATE ION, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | Authors: | Ding, Y.-H, Kothe, M, Kohls, D, Low, S. | Deposit date: | 2007-02-09 | Release date: | 2007-04-24 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structure of the catalytic domain of human polo-like kinase 1. Biochemistry, 46, 2007
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2OWB
| Structure of the Catalytic Domain of Human Polo-like Kinase 1 | Descriptor: | 4-(4-METHYLPIPERAZIN-1-YL)-N-[5-(2-THIENYLACETYL)-1,5-DIHYDROPYRROLO[3,4-C]PYRAZOL-3-YL]BENZAMIDE, ACETATE ION, Serine/threonine-protein kinase PLK1, ... | Authors: | Ding, Y.-H, Kothe, M, Kohls, D, Low, S. | Deposit date: | 2007-02-15 | Release date: | 2007-04-24 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structure of the catalytic domain of human polo-like kinase 1. Biochemistry, 46, 2007
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6ARJ
| Crystal structure of CARM1 with EPZ022302 and SAH | Descriptor: | GLYCEROL, Histone-arginine methyltransferase CARM1, S-ADENOSYL-L-HOMOCYSTEINE, ... | Authors: | Boriack-Sjodin, P.A, Jin, L. | Deposit date: | 2017-08-22 | Release date: | 2018-02-07 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | Identification of a CARM1 Inhibitor with Potent In Vitro and In Vivo Activity in Preclinical Models of Multiple Myeloma. Sci Rep, 7, 2017
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6ARV
| Crystal structure of CARM1 with Compound 2 and SAH | Descriptor: | (2R)-1-amino-3-{3-[4-(morpholin-4-yl)-1-(propan-2-yl)-1H-pyrazolo[3,4-b]pyridin-6-yl]phenoxy}propan-2-ol, GLYCEROL, Histone-arginine methyltransferase CARM1, ... | Authors: | Boriack-Sjodin, P.A, Jin, L. | Deposit date: | 2017-08-23 | Release date: | 2018-02-07 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Identification of a CARM1 Inhibitor with Potent In Vitro and In Vivo Activity in Preclinical Models of Multiple Myeloma. Sci Rep, 7, 2017
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3G0E
| KIT kinase domain in complex with sunitinib | Descriptor: | Mast/stem cell growth factor receptor, N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fluoro-2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbo xamide | Authors: | Gajiwala, K.S, Wu, J.C, Lunney, E.A, Gemetri, G.D. | Deposit date: | 2009-01-27 | Release date: | 2009-02-24 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | KIT kinase mutants show unique mechanisms of drug resistance to imatinib and sunitinib in gastrointestinal stromal tumor patients. Proc.Natl.Acad.Sci.USA, 106, 2009
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3G0F
| KIT kinase domain mutant D816H in complex with sunitinib | Descriptor: | Mast/stem cell growth factor receptor, N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fluoro-2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbo xamide, SULFATE ION | Authors: | Gajiwala, K.S, Wu, J.C, Lunney, E.A, Demetri, G.D. | Deposit date: | 2009-01-27 | Release date: | 2009-02-24 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | KIT kinase mutants show unique mechanisms of drug resistance to imatinib and sunitinib in gastrointestinal stromal tumor patients. Proc.Natl.Acad.Sci.USA, 106, 2009
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5CCL
| Crystal structure of SMYD3 with SAM and oxindole compound | Descriptor: | 1,2-ETHANEDIOL, 2-oxidanylidene-N-piperidin-4-yl-1,3-dihydroindole-5-carboxamide, Histone-lysine N-methyltransferase SMYD3, ... | Authors: | Boriack-Sjodin, P.A. | Deposit date: | 2015-07-02 | Release date: | 2015-09-09 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Novel Oxindole Sulfonamides and Sulfamides: EPZ031686, the First Orally Bioavailable Small Molecule SMYD3 Inhibitor. Acs Med.Chem.Lett., 7, 2016
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5DXA
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5DX1
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5DX0
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5DXJ
| Crystal structure of CARM1 and sinefungin | Descriptor: | GLYCEROL, Histone-arginine methyltransferase CARM1, SINEFUNGIN | Authors: | Boriack-Sjodin, P.A. | Deposit date: | 2015-09-23 | Release date: | 2015-11-25 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structural Insights into Ternary Complex Formation of Human CARM1 with Various Substrates. Acs Chem.Biol., 11, 2016
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5DWQ
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5DX8
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5CCM
| Crystal structure of SMYD3 with SAM and EPZ030456 | Descriptor: | 6-chloranyl-2-oxidanylidene-N-[(1S,5R)-8-[4-[(phenylmethyl)amino]piperidin-1-yl]sulfonyl-8-azabicyclo[3.2.1]octan-3-yl]-1,3-dihydroindole-5-carboxamide, Histone-lysine N-methyltransferase SMYD3, S-ADENOSYLMETHIONINE, ... | Authors: | Boriack-Sjodin, P.A. | Deposit date: | 2015-07-02 | Release date: | 2015-09-09 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Novel Oxindole Sulfonamides and Sulfamides: EPZ031686, the First Orally Bioavailable Small Molecule SMYD3 Inhibitor. Acs Med.Chem.Lett., 7, 2016
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5V37
| Crystal structure of SMYD3 with SAM and EPZ028862 | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ... | Authors: | Boriack-Sjodin, P.A. | Deposit date: | 2017-03-06 | Release date: | 2018-03-07 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.42 Å) | Cite: | Small molecule inhibitors and CRISPR/Cas9 mutagenesis demonstrate that SMYD2 and SMYD3 activity are dispensable for autonomous cancer cell proliferation. Plos One, 13, 2018
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5V3H
| Crystal structure of SMYD2 with SAM and EPZ033294 | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | Authors: | Boriack-Sjodin, P.A. | Deposit date: | 2017-03-07 | Release date: | 2018-04-25 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.69 Å) | Cite: | Small molecule inhibitors and CRISPR/Cas9 mutagenesis demonstrate that SMYD2 and SMYD3 activity are dispensable for autonomous cancer cell proliferation. Plos One, 13, 2018
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1EBU
| HOMOSERINE DEHYDROGENASE COMPLEX WITH NAD ANALOGUE AND L-HOMOSERINE | Descriptor: | 3-AMINOMETHYL-PYRIDINIUM-ADENINE-DINUCLEOTIDE, HOMOSERINE DEHYDROGENASE, L-HOMOSERINE, ... | Authors: | DeLaBarre, B, Thompson, P.R, Wright, G.D, Berghuis, A.M. | Deposit date: | 2000-01-24 | Release date: | 2000-03-08 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Crystal structures of homoserine dehydrogenase suggest a novel catalytic mechanism for oxidoreductases. Nat.Struct.Biol., 7, 2000
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1EBF
| HOMOSERINE DEHYDROGENASE FROM S. CEREVISIAE COMPLEX WITH NAD+ | Descriptor: | HOMOSERINE DEHYDROGENASE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SODIUM ION | Authors: | DeLaBarre, B, Thompson, P.R, Wright, G.D, Berghuis, A.M. | Deposit date: | 2000-01-24 | Release date: | 2000-03-08 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structures of homoserine dehydrogenase suggest a novel catalytic mechanism for oxidoreductases. Nat.Struct.Biol., 7, 2000
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