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3UWK
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BU of 3uwk by Molmil
Structure Guided Development of Novel Thymidine Mimetics targeting Pseudomonas aeruginosa Thymidylate Kinase: from Hit to Lead Generation
分子名称: 1-methyl-6-phenyl-1,3-dihydro-2H-imidazo[4,5-b]pyridin-2-one, MAGNESIUM ION, Thymidylate kinase
著者Choi, J.Y, Plummer, M.S, Starr, J, Desbonnet, C.R, Soutter, H.H, Chang, J, Miller, J.R, Dillman, K, Miller, A.A, Roush, W.R.
登録日2011-12-02
公開日2012-02-01
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献Structure guided development of novel thymidine mimetics targeting Pseudomonas aeruginosa thymidylate kinase: from hit to lead generation.
J.Med.Chem., 55, 2012
3UWO
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BU of 3uwo by Molmil
Structure Guided Development of Novel Thymidine Mimetics targeting Pseudomonas aeruginosa Thymidylate Kinase: from Hit to Lead Generation
分子名称: 3-(1-methyl-2-oxo-2,3-dihydro-1H-imidazo[4,5-b]pyridin-6-yl)benzamide, Thymidylate kinase
著者Choi, J.Y, Plummer, M.S, Starr, J, Desbonnet, C.R, Soutter, H.H, Chang, J, Miller, J.R, Dillman, K, Miller, A.A, Roush, W.R.
登録日2011-12-02
公開日2012-02-01
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structure guided development of novel thymidine mimetics targeting Pseudomonas aeruginosa thymidylate kinase: from hit to lead generation.
J.Med.Chem., 55, 2012
3UXM
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BU of 3uxm by Molmil
Structure Guided Development of Novel Thymidine Mimetics targeting Pseudomonas aeruginosa Thymidylate Kinase: from Hit to Lead Generation
分子名称: 5'-deoxy-5'-fluorothymidine, MAGNESIUM ION, Thymidylate kinase
著者Choi, J.Y, Plummer, M.S, Starr, J, Desbonnet, C.R, Soutter, H.H, Chang, J, Miller, J.R, Dillman, K, Miller, A.A, Roush, W.R.
登録日2011-12-05
公開日2012-02-01
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structure guided development of novel thymidine mimetics targeting Pseudomonas aeruginosa thymidylate kinase: from hit to lead generation.
J.Med.Chem., 55, 2012
3DY8
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BU of 3dy8 by Molmil
Human Phosphodiesterase 9 in complex with product 5'-GMP (E+P complex)
分子名称: 3-ISOBUTYL-1-METHYLXANTHINE, FORMIC ACID, GUANOSINE-5'-MONOPHOSPHATE, ...
著者Liu, S, Mansour, M.N, Dillman, K, Perez, J, Danley, D, Menniti, F.
登録日2008-07-25
公開日2008-09-16
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Structural basis for the catalytic mechanism of human phosphodiesterase 9.
Proc.Natl.Acad.Sci.Usa, 105, 2008
3DYN
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BU of 3dyn by Molmil
human phosphodiestrase 9 in complex with cGMP (Zn inhibited)
分子名称: 3-ISOBUTYL-1-METHYLXANTHINE, CYCLIC GUANOSINE MONOPHOSPHATE, High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A, ...
著者Liu, S, Mansour, M.N, Dillman, K, Perez, J, Danley, D, Menniti, F.
登録日2008-07-28
公開日2008-09-16
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural basis for the catalytic mechanism of human phosphodiesterase 9.
Proc.Natl.Acad.Sci.Usa, 105, 2008
3DYL
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BU of 3dyl by Molmil
human phosphdiesterase 9 substrate complex (ES complex)
分子名称: 3-ISOBUTYL-1-METHYLXANTHINE, CYCLIC GUANOSINE MONOPHOSPHATE, FORMIC ACID, ...
著者Liu, S, Mansour, M.N, Dillman, K, Perez, J, Danley, D, Menniti, F.
登録日2008-07-28
公開日2008-09-16
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structural basis for the catalytic mechanism of human phosphodiesterase 9.
Proc.Natl.Acad.Sci.Usa, 105, 2008
3DYS
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BU of 3dys by Molmil
human phosphodiestrase-5'GMP complex (EP), produced by soaking with 20mM cGMP+20 mM MnCl2+20 mM MgCl2 for 2 hours, and flash-cooled to liquid nitrogen temperature when substrate was still abudant.
分子名称: 3-ISOBUTYL-1-METHYLXANTHINE, FORMIC ACID, GUANOSINE-5'-MONOPHOSPHATE, ...
著者Liu, S, Mansour, M.N, Dillman, K, Perez, J, Danley, D, Menniti, F.
登録日2008-07-28
公開日2008-09-16
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural basis for the catalytic mechanism of human phosphodiesterase 9.
Proc.Natl.Acad.Sci.Usa, 105, 2008
3DYQ
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BU of 3dyq by Molmil
human phosphodiestrase 9 (inhibited by omitting divalent cation) in complex with cGMP
分子名称: 3-ISOBUTYL-1-METHYLXANTHINE, CYCLIC GUANOSINE MONOPHOSPHATE, High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A, ...
著者Liu, S, Mansour, M.N, Dillman, K, Perez, J, Danley, D, Menniti, F.
登録日2008-07-28
公開日2008-09-16
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural basis for the catalytic mechanism of human phosphodiesterase 9.
Proc.Natl.Acad.Sci.Usa, 105, 2008
8QE2
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BU of 8qe2 by Molmil
Crystal structure of human MAT2a bound to S-Adenosylmethionine and Compound 21
分子名称: 4-[4-[bis(fluoranyl)methoxy]phenyl]-3-cyclopropyl-6-(2-methylindazol-5-yl)-2~{H}-pyrazolo[4,3-b]pyridin-5-one, S-ADENOSYLMETHIONINE, S-adenosylmethionine synthase isoform type-2
著者Schimpl, M.
登録日2023-08-30
公開日2024-03-20
最終更新日2024-04-10
実験手法X-RAY DIFFRACTION (1.109 Å)
主引用文献Development of a Series of Pyrrolopyridone MAT2A Inhibitors.
J.Med.Chem., 67, 2024
8QE0
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BU of 8qe0 by Molmil
Crystal structure of human MAT2a bound to S-Adenosylmethionine and Compound 12
分子名称: 4-[4-[bis(fluoranyl)methoxy]phenyl]-3-cyclopropyl-2~{H}-pyrazolo[4,3-b]pyridin-5-one, S-ADENOSYLMETHIONINE, S-adenosylmethionine synthase isoform type-2
著者Schimpl, M.
登録日2023-08-30
公開日2024-03-20
最終更新日2024-04-10
実験手法X-RAY DIFFRACTION (1.12 Å)
主引用文献Development of a Series of Pyrrolopyridone MAT2A Inhibitors.
J.Med.Chem., 67, 2024
8QDZ
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BU of 8qdz by Molmil
Crystal structure of human MAT2a bound to S-Adenosylmethionine and Compound 11
分子名称: 3-cyclopropyl-4-(4-methoxyphenyl)-5-oxidanyl-pyrazolo[4,3-c]pyridine, S-ADENOSYLMETHIONINE, S-adenosylmethionine synthase isoform type-2
著者Schimpl, M.
登録日2023-08-30
公開日2024-03-20
最終更新日2024-04-10
実験手法X-RAY DIFFRACTION (1.16 Å)
主引用文献Development of a Series of Pyrrolopyridone MAT2A Inhibitors.
J.Med.Chem., 67, 2024
8QE1
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BU of 8qe1 by Molmil
Crystal structure of human MAT2a bound to S-Adenosylmethionine and Compound 15
分子名称: 4-[4-[bis(fluoranyl)methoxy]phenyl]-3-cyclopropyl-6-(4-methoxyphenyl)-2~{H}-pyrazolo[4,3-b]pyridin-5-one, S-ADENOSYLMETHIONINE, S-adenosylmethionine synthase isoform type-2
著者Schimpl, M.
登録日2023-08-30
公開日2024-03-20
最終更新日2024-04-10
実験手法X-RAY DIFFRACTION (1.095 Å)
主引用文献Development of a Series of Pyrrolopyridone MAT2A Inhibitors.
J.Med.Chem., 67, 2024
8QE3
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BU of 8qe3 by Molmil
Crystal structure of human MAT2a bound to S-Adenosylmethionine and Compound 31
分子名称: 3-cyclopropyl-6-(2-methylindazol-5-yl)-4-(6-methylpyridin-3-yl)-2~{H}-pyrazolo[4,3-b]pyridin-5-one, S-ADENOSYLMETHIONINE, S-adenosylmethionine synthase isoform type-2
著者Schimpl, M.
登録日2023-08-30
公開日2024-03-20
最終更新日2024-04-10
実験手法X-RAY DIFFRACTION (1.089 Å)
主引用文献Development of a Series of Pyrrolopyridone MAT2A Inhibitors.
J.Med.Chem., 67, 2024
8QDY
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BU of 8qdy by Molmil
Crystal structure of human MAT2a bound to S-Adenosylmethionine and Compound 8
分子名称: 3-cyclopropyl-4-(4-methoxyphenyl)-1~{H}-pyrazolo[4,3-c]pyridine, S-ADENOSYLMETHIONINE, S-adenosylmethionine synthase isoform type-2
著者Schimpl, M.
登録日2023-08-30
公開日2024-03-20
最終更新日2024-04-10
実験手法X-RAY DIFFRACTION (1.19 Å)
主引用文献Development of a Series of Pyrrolopyridone MAT2A Inhibitors.
J.Med.Chem., 67, 2024

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件を2024-08-07に公開中

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