5CCL
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![BU of 5ccl by Molmil](/molmil-images/mine/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
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![BU of 5ccm by Molmil](/molmil-images/mine/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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![BU of 1urt by Molmil](/molmil-images/mine/1urt) | |
5EML
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![BU of 5eml by Molmil](/molmil-images/mine/5eml) | |
5EMJ
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![BU of 5emj by Molmil](/molmil-images/mine/5emj) | |
5EMK
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![BU of 5emk by Molmil](/molmil-images/mine/5emk) | |
5EMM
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4X63
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![BU of 4x63 by Molmil](/molmil-images/mine/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
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![BU of 4x60 by Molmil](/molmil-images/mine/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
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![BU of 4x61 by Molmil](/molmil-images/mine/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
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![BU of 4lh7 by Molmil](/molmil-images/mine/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
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![BU of 2bdn by Molmil](/molmil-images/mine/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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![BU of 3faa by Molmil](/molmil-images/mine/3faa) | |
3EOT
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3U2D
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![BU of 3u2d by Molmil](/molmil-images/mine/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
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![BU of 3u2k by Molmil](/molmil-images/mine/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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![BU of 4em7 by Molmil](/molmil-images/mine/4em7) | |
4EMV
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![BU of 4emv by Molmil](/molmil-images/mine/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
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![BU of 1a42 by Molmil](/molmil-images/mine/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
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![BU of 4w6e by Molmil](/molmil-images/mine/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
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![BU of 4w5s by Molmil](/molmil-images/mine/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
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![BU of 8szr by Molmil](/molmil-images/mine/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
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![BU of 8szp by Molmil](/molmil-images/mine/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
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![BU of 8szs by Molmil](/molmil-images/mine/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
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![BU of 8szq by Molmil](/molmil-images/mine/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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