5CCL
 
 | | Crystal structure of SMYD3 with SAM and oxindole compound | | 分子名称: | 1,2-ETHANEDIOL, 2-oxidanylidene-N-piperidin-4-yl-1,3-dihydroindole-5-carboxamide, Histone-lysine N-methyltransferase SMYD3, ... | | 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 (1.5 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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5CCM
 | | 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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1URT
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5EML
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5EMJ
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5EMK
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5EMM
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4X63
 | | 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
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4X60
 | | Crystal structure of PRMT5:MEP50 with EPZ015666 and sinefungin | | 分子名称: | GLYCEROL, Methylosome protein 50, N-[(2S)-3-(3,4-dihydroisoquinolin-2(1H)-yl)-2-hydroxypropyl]-6-(oxetan-3-ylamino)pyrimidine-4-carboxamide, ... | | 著者 | Boriack-Sjodin, P.A. | | 登録日 | 2014-12-06 | | 公開日 | 2015-04-22 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.35 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
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4X61
 | | Crystal structure of PRMT5:MEP50 with EPZ015666 and SAM | | 分子名称: | GLYCEROL, Methylosome protein 50, N-[(2S)-3-(3,4-dihydroisoquinolin-2(1H)-yl)-2-hydroxypropyl]-6-(oxetan-3-ylamino)pyrimidine-4-carboxamide, ... | | 著者 | Boriack-Sjodin, P.A. | | 登録日 | 2014-12-06 | | 公開日 | 2015-04-22 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.85 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
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4LH7
 | | 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
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2BDN
 | | Crystal structure of human MCP-1 bound to a blocking antibody, 11K2 | | 分子名称: | Antibody heavy chain 11K2, Antibody light chain 11K2, Small inducible cytokine A2 | | 著者 | Boriack-Sjodin, P.A, Rushe, M, Reid, C, Jarpe, M, van Vlijmen, H, Bailly, V. | | 登録日 | 2005-10-20 | | 公開日 | 2006-06-13 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (2.53 Å) | | 主引用文献 | Structure activity relationships of monocyte chemoattractant proteins in complex with a blocking antibody.
Protein Eng.Des.Sel., 19, 2006
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3FAA
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3EOT
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3U2D
 | | S. aureus GyrB ATPase domain in complex with small molecule inhibitor | | 分子名称: | 4-bromo-5-methyl-N-[1-(3-nitropyridin-2-yl)piperidin-4-yl]-1H-pyrrole-2-carboxamide, DNA gyrase subunit B, MAGNESIUM ION | | 著者 | Boriack-Sjodin, P.A, Prince, D.B, Eakin, A.E, Sherer, B.A. | | 登録日 | 2011-10-03 | | 公開日 | 2012-01-11 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Pyrrolamide DNA gyrase inhibitors: fragment-based nuclear magnetic resonance screening to identify antibacterial agents.
Antimicrob.Agents Chemother., 56, 2012
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3U2K
 | | S. aureus GyrB ATPase domain in complex with a small molecule inhibitor | | 分子名称: | 2-chloro-6-(4-{[(3,4-dichloro-5-methyl-1H-pyrrol-2-yl)carbonyl]amino}piperidin-1-yl)pyridine-4-carboxamide, DNA gyrase subunit B, MAGNESIUM ION | | 著者 | Boriack-Sjodin, P.A, Prince, D.B, Eakin, A.E, Sherer, B.A. | | 登録日 | 2011-10-03 | | 公開日 | 2012-01-11 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.64 Å) | | 主引用文献 | Pyrrolamide DNA gyrase inhibitors: fragment-based nuclear magnetic resonance screening to identify antibacterial agents.
Antimicrob.Agents Chemother., 56, 2012
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4EM7
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4EMV
 | | Crystal structure of a topoisomerase ATP inhibitor | | 分子名称: | 5-{2-(ethylcarbamoyl)-4-[3-(trifluoromethyl)-1H-pyrazol-1-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl}pyridine-3-carboxylic acid, DNA topoisomerase IV, B subunit | | 著者 | Boriack-Sjodin, P.A, Manchester, J, Hull, K. | | 登録日 | 2012-04-12 | | 公開日 | 2012-08-01 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Discovery of a novel azaindole class of antibacterial agents targeting the ATPase domains of DNA gyrase and Topoisomerase IV.
Bioorg.Med.Chem.Lett., 22, 2012
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1A42
 | | HUMAN CARBONIC ANHYDRASE II COMPLEXED WITH BRINZOLAMIDE | | 分子名称: | (4R)-2-(2-ethoxyethyl)-4-(ethylamino)-3,4-dihydro-2H-thieno[3,2-e][1,2]thiazine-6-sulfonamide 1,1-dioxide, CARBONIC ANHYDRASE II, MERCURY (II) ION, ... | | 著者 | Boriack-Sjodin, P.A, Christianson, D.W. | | 登録日 | 1998-02-10 | | 公開日 | 1999-03-23 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | | 主引用文献 | Structures of murine carbonic anhydrase IV and human carbonic anhydrase II complexed with brinzolamide: molecular basis of isozyme-drug discrimination.
Protein Sci., 7, 1998
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4W6E
 | | Human Tankyrase 1 with small molecule inhibitor | | 分子名称: | 2-(4-{6-[(3S)-3,4-dimethylpiperazin-1-yl]-4-methylpyridin-3-yl}phenyl)-8-(hydroxymethyl)quinazolin-4(3H)-one, Tankyrase-1, ZINC ION | | 著者 | Kazmirski, S.L, Johannes, J, Boriack-Sjodin, P.A, Howard, T. | | 登録日 | 2014-08-20 | | 公開日 | 2015-05-13 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Pyrimidinone nicotinamide mimetics as selective tankyrase and wnt pathway inhibitors suitable for in vivo pharmacology.
Acs Med.Chem.Lett., 6, 2015
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4W5S
 | | Tankyrase in complex with compound | | 分子名称: | 8-(hydroxymethyl)-2-[4-(1-methyl-1H-pyrazol-4-yl)phenyl]quinazolin-4(3H)-one, GLYCEROL, Tankyrase-1, ... | | 著者 | Johannes, J, Kazmirski, S.L, Boriack-Sjodin, P.A, Howard, T. | | 登録日 | 2014-08-18 | | 公開日 | 2015-05-13 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Pyrimidinone nicotinamide mimetics as selective tankyrase and wnt pathway inhibitors suitable for in vivo pharmacology.
Acs Med.Chem.Lett., 6, 2015
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8SZR
 | | Dog DHX9 bound to ADP | | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, RNA helicase, ... | | 著者 | Lee, Y.-T, Sickmier, E.A, Grigoriu, S, Boriack-Sjodin, P.A. | | 登録日 | 2023-05-30 | | 公開日 | 2023-08-02 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.97 Å) | | 主引用文献 | Crystal structures of the DExH-box RNA helicase DHX9.
Acta Crystallogr D Struct Biol, 79, 2023
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8SZP
 | | Human DHX9 bound to ADP | | 分子名称: | 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, ATP-dependent RNA helicase A, ... | | 著者 | Lee, Y.-T, Sickmier, E.A, Grigoriu, S, Boriack-Sjodin, P.A. | | 登録日 | 2023-05-30 | | 公開日 | 2023-08-02 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.62 Å) | | 主引用文献 | Crystal structures of the DExH-box RNA helicase DHX9.
Acta Crystallogr D Struct Biol, 79, 2023
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8SZS
 | | Cat DHX9 bound to GDP | | 分子名称: | 1,2-ETHANEDIOL, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | | 著者 | Lee, Y.-T, Sickmier, E.A, Boriack-Sjodin, P.A. | | 登録日 | 2023-05-30 | | 公開日 | 2023-09-06 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (2.38 Å) | | 主引用文献 | Development of assays to support identification and characterization of modulators of DExH-box helicase DHX9.
Slas Discov, 28, 2023
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8SZQ
 | | Cat DHX9 bound to ADP | | 分子名称: | 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | | 著者 | Lee, Y.-T, Sickmier, E.A, Grigoriu, S, Boriack-Sjodin, P.A. | | 登録日 | 2023-05-30 | | 公開日 | 2023-08-02 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.711 Å) | | 主引用文献 | Crystal structures of the DExH-box RNA helicase DHX9.
Acta Crystallogr D Struct Biol, 79, 2023
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