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PDB: 71 件
4X63
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BU of 4x63 by Molmil
Crystal structure of PRMT5:MEP50 with EPZ015666 and SAH
分子名称: 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, ...
著者Boriack-Sjodin, P.A.
登録日2014-12-06
公開日2015-04-22
最終更新日2015-05-27
実験手法X-RAY DIFFRACTION (3.05 Å)
主引用文献A selective inhibitor of PRMT5 with in vivo and in vitro potency in MCL models.
Nat.Chem.Biol., 11, 2015
3M1N
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BU of 3m1n by Molmil
Crystal structure of Human Sonic Hedgehog N-terminal domain
分子名称: SULFATE ION, Sonic hedgehog protein, ZINC ION
著者Boriack-Sjodin, P.A, Pepinsky, R.B, Garber, E.A, Silvian, L.F.
登録日2010-03-05
公開日2010-03-16
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Mapping sonic hedgehog-receptor interactions by steric interference.
J.Biol.Chem., 275, 2000
3KCF
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BU of 3kcf by Molmil
Crystal structure of TGFbRI complexed with a pyrazolone inhibitor
分子名称: 4-[3-(methoxymethyl)phenyl]-1,2-dimethyl-5-quinoxalin-6-yl-1,2-dihydro-3H-pyrazol-3-one, PHOSPHATE ION, TGF-beta receptor type-1
著者Boriack-Sjodin, P.A.
登録日2009-10-21
公開日2009-12-22
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Pyrazolone based TGFbetaR1 kinase inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010
6ARJ
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BU of 6arj by Molmil
Crystal structure of CARM1 with EPZ022302 and SAH
分子名称: GLYCEROL, Histone-arginine methyltransferase CARM1, S-ADENOSYL-L-HOMOCYSTEINE, ...
著者Boriack-Sjodin, P.A, Jin, L.
登録日2017-08-22
公開日2018-02-07
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献Identification of a CARM1 Inhibitor with Potent In Vitro and In Vivo Activity in Preclinical Models of Multiple Myeloma.
Sci Rep, 7, 2017
6ARV
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BU of 6arv by Molmil
Crystal structure of CARM1 with Compound 2 and SAH
分子名称: (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, ...
著者Boriack-Sjodin, P.A, Jin, L.
登録日2017-08-23
公開日2018-02-07
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Identification of a CARM1 Inhibitor with Potent In Vitro and In Vivo Activity in Preclinical Models of Multiple Myeloma.
Sci Rep, 7, 2017
5V3H
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BU of 5v3h by Molmil
Crystal structure of SMYD2 with SAM and EPZ033294
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
著者Boriack-Sjodin, P.A.
登録日2017-03-07
公開日2018-04-25
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.69 Å)
主引用文献Small molecule inhibitors and CRISPR/Cas9 mutagenesis demonstrate that SMYD2 and SMYD3 activity are dispensable for autonomous cancer cell proliferation.
Plos One, 13, 2018
1URT
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BU of 1urt by Molmil
MURINE CARBONIC ANHYDRASE V
分子名称: CARBONIC ANHYDRASE V, ZINC ION
著者Boriack-Sjodin, P.A, Christianson, D.W.
登録日1996-07-03
公開日1997-01-11
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structure-based design of an intramolecular proton transfer site in murine carbonic anhydrase V.
Biochemistry, 35, 1996
5V37
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BU of 5v37 by Molmil
Crystal structure of SMYD3 with SAM and EPZ028862
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ...
著者Boriack-Sjodin, P.A.
登録日2017-03-06
公開日2018-03-07
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献Small molecule inhibitors and CRISPR/Cas9 mutagenesis demonstrate that SMYD2 and SMYD3 activity are dispensable for autonomous cancer cell proliferation.
Plos One, 13, 2018
6CEN
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BU of 6cen by Molmil
Crystal Structure of WHSC1L1 in Complex with Inhibitor PEP21
分子名称: ACE-GLY-VAL-NLE-ARG-ILE-NH2, Histone-lysine N-methyltransferase NSD3, S-ADENOSYLMETHIONINE, ...
著者Boriack-Sjodin, P.A, Swinger, K, Farrow, N.A.
登録日2018-02-12
公開日2018-05-09
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.61 Å)
主引用文献Identification of a peptide inhibitor for the histone methyltransferase WHSC1.
PLoS ONE, 13, 2018
3FAA
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BU of 3faa by Molmil
Crystal structure of TGFbRI complexed with a 2-aminoimidazole inhibitor
分子名称: N-[4-(5-fluoro-6-methylpyridin-2-yl)-5-quinoxalin-6-yl-1H-imidazol-2-yl]acetamide, PHOSPHATE ION, TGF-beta receptor type-1
著者Boriack-Sjodin, P.A, Fitch, C.
登録日2008-11-16
公開日2009-01-27
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (3.35 Å)
主引用文献2-Aminoimidazoles inhibitors of TGF-beta receptor 1.
Bioorg.Med.Chem.Lett., 19, 2009
3EOT
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BU of 3eot by Molmil
Crystal structure of LAC031, an engineered anti-VLA1 Fab
分子名称: FAB FRAGMENT, HEAVY CHAIN, LIGHT CHAIN
著者Boriack-Sjodin, P.A, Clark, L.A.
登録日2008-09-29
公開日2009-01-20
最終更新日2017-10-25
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献An antibody loop replacement design feasibility study and a loop-swapped dimer structure.
Protein Eng.Des.Sel., 22, 2009
5DX8
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BU of 5dx8 by Molmil
Crystal structure of CARM1, sinefungin, and methylated PABP1 peptide (R455)
分子名称: Histone-arginine methyltransferase CARM1, SINEFUNGIN, methylated PABP1 peptide
著者Boriack-Sjodin, P.A.
登録日2015-09-23
公開日2015-11-25
最終更新日2016-03-30
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Structural Insights into Ternary Complex Formation of Human CARM1 with Various Substrates.
Acs Chem.Biol., 11, 2016
5DX1
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Crystal structure of CARM1, sinefungin, and PABP1 peptide (R455)
分子名称: GLYCEROL, Histone-arginine methyltransferase CARM1, PABP1 peptide, ...
著者Boriack-Sjodin, P.A.
登録日2015-09-23
公開日2015-11-25
最終更新日2016-03-30
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Structural Insights into Ternary Complex Formation of Human CARM1 with Various Substrates.
Acs Chem.Biol., 11, 2016
5EML
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BU of 5eml by Molmil
Crystal structure of PRMT5:MEP50 with Compound 10 and SAM
分子名称: GLYCEROL, Methylosome protein 50, Protein arginine N-methyltransferase 5, ...
著者Boriack-Sjodin, P.A, Jin, L.
登録日2015-11-06
公開日2016-02-24
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.39 Å)
主引用文献Structure and Property Guided Design in the Identification of PRMT5 Tool Compound EPZ015666.
ACS Med Chem Lett, 7, 2016
5EMJ
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Crystal structure of PRMT5:MEP50 with Compound 8 and sinefungin
分子名称: (2~{S})-1-(3,4-dihydro-1~{H}-isoquinolin-2-yl)-3-[[4-(3-methylbenzimidazol-5-yl)pyridin-2-yl]amino]propan-2-ol, GLYCEROL, Methylosome protein 50, ...
著者Boriack-Sjodin, P.A, Jin, L.
登録日2015-11-06
公開日2016-02-24
最終更新日2018-04-18
実験手法X-RAY DIFFRACTION (2.273 Å)
主引用文献Structure and Property Guided Design in the Identification of PRMT5 Tool Compound EPZ015666.
ACS Med Chem Lett, 7, 2016
5EMK
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Crystal structure of PRMT5:MEP50 with Compound 9 and sinefungin
分子名称: GLYCEROL, Methylosome protein 50, Protein arginine N-methyltransferase 5, ...
著者Boriack-Sjodin, P.A, Jin, L.
登録日2015-11-06
公開日2016-02-24
最終更新日2018-04-18
実験手法X-RAY DIFFRACTION (2.52 Å)
主引用文献Structure and Property Guided Design in the Identification of PRMT5 Tool Compound EPZ015666.
ACS Med Chem Lett, 7, 2016
5EMM
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BU of 5emm by Molmil
Crystal structure of PRMT5:MEP50 with Compound 15 and sinefungin
分子名称: GLYCEROL, Methylosome protein 50, Protein arginine N-methyltransferase 5, ...
著者Boriack-Sjodin, P.A, Jin, L.
登録日2015-11-06
公開日2016-02-24
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.37 Å)
主引用文献Structure and Property Guided Design in the Identification of PRMT5 Tool Compound EPZ015666.
ACS Med Chem Lett, 7, 2016
1BN4
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BU of 1bn4 by Molmil
CARBONIC ANHYDRASE II INHIBITOR
分子名称: CARBONIC ANHYDRASE, MERCURY (II) ION, N-[(4-METHOXYPHENYL)METHYL]2,5-THIOPHENEDESULFONAMIDE, ...
著者Boriack-Sjodin, P.A, Zeitlin, S, Christianson, D.W.
登録日1998-07-31
公開日1999-05-18
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural analysis of inhibitor binding to human carbonic anhydrase II.
Protein Sci., 7, 1998
1BN1
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BU of 1bn1 by Molmil
CARBONIC ANHYDRASE II INHIBITOR
分子名称: CARBONIC ANHYDRASE, MERCURY (II) ION, THIOPHENE-2,5-DISULFONIC ACID 2-AMIDE-5-(4-METHYL-BENZYLAMIDE), ...
著者Boriack-Sjodin, P.A, Zeitlin, S, Christianson, D.W.
登録日1998-07-31
公開日1999-05-18
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural analysis of inhibitor binding to human carbonic anhydrase II.
Protein Sci., 7, 1998
1BNQ
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BU of 1bnq by Molmil
CARBONIC ANHYDRASE II INHIBITOR
分子名称: (R)-4-ETHYLAMINO-3,4-DIHYDRO-2-(2-METHOYLETHYL)-2H-THIENO[3,2-E]-1,2-THIAZINE-6-SULFONAMIDE-1,1-DIOXIDE, CARBONIC ANHYDRASE, MERCURY (II) ION, ...
著者Boriack-Sjodin, P.A, Zeitlin, S, Christianson, D.W.
登録日1998-07-30
公開日1999-06-15
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural analysis of inhibitor binding to human carbonic anhydrase II.
Protein Sci., 7, 1998
1BNV
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BU of 1bnv by Molmil
CARBONIC ANHYDRASE II INHIBITOR
分子名称: (S)-3,4-DIHYDRO-2-(3-METHOXYPHENYL)-4-METHYLAMINO-2H-THIENO[3,2-E]-1,2-THIAZINE-6-SULFONAMIDE-1,1-DIOXIDE, CARBONIC ANHYDRASE, MERCURY (II) ION, ...
著者Boriack-Sjodin, P.A, Zeitlin, S, Christianson, D.W.
登録日1998-07-30
公開日1999-02-16
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural analysis of inhibitor binding to human carbonic anhydrase II.
Protein Sci., 7, 1998
1DMX
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BU of 1dmx by Molmil
MURINE MITOCHONDRIAL CARBONIC ANYHDRASE V AT 2.45 ANGSTROMS RESOLUTION
分子名称: MURINE CARBONIC ANHYDRASE V, ZINC ION
著者Boriack-Sjodin, P.A, Christianson, D.W.
登録日1995-10-04
公開日1996-04-03
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Structure determination of murine mitochondrial carbonic anhydrase V at 2.45-A resolution: implications for catalytic proton transfer and inhibitor design.
Proc.Natl.Acad.Sci.USA, 92, 1995
4LH7
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BU of 4lh7 by Molmil
Crystal structure of a LigA inhibitor
分子名称: 4-aminothieno[3,2-c]pyridine-2,7-dicarboxamide, BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE, DNA ligase, ...
著者Boriack-Sjodin, P.A, Prince, D.B.
登録日2013-06-30
公開日2013-12-25
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Identification through structure-based methods of a bacterial NAD(+)-dependent DNA ligase inhibitor that avoids known resistance mutations.
Bioorg.Med.Chem.Lett., 24, 2014
1DMY
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BU of 1dmy by Molmil
COMPLEX BETWEEN MURINE MITOCHONDRIAL CARBONIC ANYHDRASE V AND THE TRANSITION STATE ANALOGUE ACETAZOLAMIDE
分子名称: 5-ACETAMIDO-1,3,4-THIADIAZOLE-2-SULFONAMIDE, MURINE CARBONIC ANHYDRASE V, ZINC ION
著者Boriack-Sjodin, P.A, Christianson, D.W.
登録日1995-10-04
公開日1996-04-03
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Structure determination of murine mitochondrial carbonic anhydrase V at 2.45-A resolution: implications for catalytic proton transfer and inhibitor design.
Proc.Natl.Acad.Sci.USA, 92, 1995
5CCM
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BU of 5ccm by Molmil
Crystal structure of SMYD3 with SAM and EPZ030456
分子名称: 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, ...
著者Boriack-Sjodin, P.A.
登録日2015-07-02
公開日2015-09-09
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Novel Oxindole Sulfonamides and Sulfamides: EPZ031686, the First Orally Bioavailable Small Molecule SMYD3 Inhibitor.
Acs Med.Chem.Lett., 7, 2016

 

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