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6NK7
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BU of 6nk7 by Molmil
Electron Cryo-Microscopy of Chikungunya in Complex with Mouse Mxra8 Receptor
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Capsid protein, E1 glycoprotein, ...
著者Basore, K, Kim, A.S, Nelson, C.A, Fremont, D.H, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2019-01-04
公開日2019-05-22
最終更新日2020-07-29
実験手法ELECTRON MICROSCOPY (4.99 Å)
主引用文献Cryo-EM Structure of Chikungunya Virus in Complex with the Mxra8 Receptor.
Cell, 177, 2019
6NK6
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BU of 6nk6 by Molmil
Electron Cryo-Microscopy Of Chikungunya VLP in complex with mouse Mxra8 receptor
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Capsid protein, E1 glycoprotein, ...
著者Basore, K, Kim, A.S, Nelson, C.A, Fremont, D.H, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2019-01-04
公開日2019-05-22
最終更新日2020-07-29
実験手法ELECTRON MICROSCOPY (4.06 Å)
主引用文献Cryo-EM Structure of Chikungunya Virus in Complex with the Mxra8 Receptor.
Cell, 177, 2019
6NK5
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Electron Cryo-Microscopy Of Chikungunya VLP
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Capsid protein, E1 glycoprotein, ...
著者Basore, K, Fremont, D.H, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2019-01-04
公開日2019-05-22
最終更新日2020-07-29
実験手法ELECTRON MICROSCOPY (4.16 Å)
主引用文献Cryo-EM Structure of Chikungunya Virus in Complex with the Mxra8 Receptor.
Cell, 177, 2019
8Q2A
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BU of 8q2a by Molmil
TtX122B - A domain of unknown function from the Teredinibacter turnerae protein TERTU_2913
分子名称: CALCIUM ION, Putative lipoprotein
著者Rajagopal, B.S, Hemsworth, G.R.
登録日2023-08-01
公開日2024-03-13
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural dissection of two redox proteins from the shipworm symbiont Teredinibacter turnerae.
Iucrj, 11, 2024
8Q28
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Se-Met labelled TtX122A - A domain of unknown function from the Teredinibacter turnerae protein TERTU_3803
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, Gluconolactonase domain protein, ...
著者Rajagopal, B.S, Hemsworth, G.R.
登録日2023-08-01
公開日2024-03-13
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural dissection of two redox proteins from the shipworm symbiont Teredinibacter turnerae.
Iucrj, 11, 2024
8Q1W
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TtX183B - A c-type cytochrome domain from the Teredinibacter turnerae protein TERTU_2913
分子名称: CHLORIDE ION, HEME C, Putative lipoprotein, ...
著者Rajagopal, B.S, Hemsworth, G.R.
登録日2023-08-01
公開日2024-03-13
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural dissection of two redox proteins from the shipworm symbiont Teredinibacter turnerae.
Iucrj, 11, 2024
6ZRT
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BU of 6zrt by Molmil
Crystal structure of SARS CoV2 main protease in complex with inhibitor Telaprevir
分子名称: (1S,3aR,6aS)-2-[(2S)-2-({(2S)-2-cyclohexyl-2-[(pyrazin-2-ylcarbonyl)amino]acetyl}amino)-3,3-dimethylbutanoyl]-N-[(2R,3S)-1-(cyclopropylamino)-2-hydroxy-1-oxohexan-3-yl]octahydrocyclopenta[c]pyrrole-1-carboxamide, DIMETHYL SULFOXIDE, Main Protease
著者Oerlemans, R, Wang, W, Lunev, S, Domling, A, Groves, M.R.
登録日2020-07-14
公開日2020-08-12
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Repurposing the HCV NS3-4A protease drug boceprevir as COVID-19 therapeutics.
Rsc Med Chem, 12, 2020
6ZRU
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BU of 6zru by Molmil
Crystal structure of SARS CoV2 main protease in complex with inhibitor Boceprevir
分子名称: DIMETHYL SULFOXIDE, Main Protease, boceprevir (bound form)
著者Oerlemans, R, Wang, W, Lunev, S, Domling, A, Groves, M.R.
登録日2020-07-14
公開日2020-08-12
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Repurposing the HCV NS3-4A protease drug boceprevir as COVID-19 therapeutics.
Rsc Med Chem, 12, 2020
6NQC
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Crystal structure of a peptidase from an acI-B1 Actinobacterium
分子名称: Cyanophycinase-like exopeptidase, SULFATE ION
著者Forest, K.T, Dwulit-Smith, J.R, Satyshur, K.A.
登録日2019-01-20
公開日2020-01-22
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Structure of a peptidase from an acI-B1 Actinobacterium
To Be Published
5JLJ
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BU of 5jlj by Molmil
Crystal Structure of KPT8602 in complex with CRM1-Ran-RanBP1
分子名称: (2R)-3-{3-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-1-yl}-2-(pyrimidin-5-yl)propanamide, CHLORIDE ION, Exportin-1, ...
著者Fung, H.Y, Chook, Y.M.
登録日2016-04-27
公開日2016-06-29
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Next-generation XPO1 inhibitor shows improved efficacy and in vivo tolerability in hematological malignancies.
Leukemia, 30, 2016
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
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
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
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
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
8E2L
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BU of 8e2l by Molmil
Structure of Lates calcarifer Twinkle helicase with ATP and DNA
分子名称: ADENOSINE-5'-TRIPHOSPHATE, DNA (5'-D(P*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*T)-3'), MAGNESIUM ION, ...
著者Gao, Y, Li, Z.
登録日2022-08-15
公開日2022-11-02
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (3.51 Å)
主引用文献Structural and dynamic basis of DNA capture and translocation by mitochondrial Twinkle helicase.
Nucleic Acids Res., 50, 2022
7A4O
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BU of 7a4o by Molmil
Structure of DYRK1A in complex with AMPNP
分子名称: Dual specificity tyrosine-phosphorylation-regulated kinase 1A, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
著者Dokurno, P, Surgenor, A.E, Hubbard, R.E.
登録日2020-08-20
公開日2021-06-30
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Fragment-Derived Selective Inhibitors of Dual-Specificity Kinases DYRK1A and DYRK1B.
J.Med.Chem., 64, 2021
7A53
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Structure of DYRK1A in complex with compound 7
分子名称: (3~{E})-3-[(5-methylfuran-2-yl)methylidene]-1~{H}-indol-2-one, Dual specificity tyrosine-phosphorylation-regulated kinase 1A
著者Dokurno, P, Surgenor, A.E, Hubbard, R.E.
登録日2020-08-20
公開日2021-06-30
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Fragment-Derived Selective Inhibitors of Dual-Specificity Kinases DYRK1A and DYRK1B.
J.Med.Chem., 64, 2021
7A4R
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BU of 7a4r by Molmil
Structure of DYRK1A in complex with compound 1
分子名称: 2-amino-3H,4H,7H-pyrrolo[2,3-d]pyrimidin-4-one, DIMETHYL SULFOXIDE, Dual specificity tyrosine-phosphorylation-regulated kinase 1A
著者Dokurno, P, Surgenor, A.E, Hubbard, R.E.
登録日2020-08-20
公開日2021-06-30
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Fragment-Derived Selective Inhibitors of Dual-Specificity Kinases DYRK1A and DYRK1B.
J.Med.Chem., 64, 2021
7A55
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Structure of DYRK1A in complex with compound 8
分子名称: 3-(1-methylpyrazol-4-yl)-1~{H}-pyrazole-5-carboxylic acid, Dual specificity tyrosine-phosphorylation-regulated kinase 1A
著者Dokurno, P, Surgenor, A.E, Hubbard, R.E.
登録日2020-08-20
公開日2021-06-30
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Fragment-Derived Selective Inhibitors of Dual-Specificity Kinases DYRK1A and DYRK1B.
J.Med.Chem., 64, 2021
7A4S
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Structure of DYRK1A in complex with compound 2
分子名称: 7-chlorothieno[3,2-c]pyridin-4-amine, Dual specificity tyrosine-phosphorylation-regulated kinase 1A
著者Dokurno, P, Surgenor, A.E, Hubbard, R.E.
登録日2020-08-20
公開日2021-06-30
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Fragment-Derived Selective Inhibitors of Dual-Specificity Kinases DYRK1A and DYRK1B.
J.Med.Chem., 64, 2021
7A4Z
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Structure of DYRK1A in complex with compound 4
分子名称: 3-(4-methoxyphenyl)-1~{H}-pyrazol-5-amine, Dual specificity tyrosine-phosphorylation-regulated kinase 1A
著者Dokurno, P, Surgenor, A.E, Hubbard, R.E.
登録日2020-08-20
公開日2021-06-30
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Fragment-Derived Selective Inhibitors of Dual-Specificity Kinases DYRK1A and DYRK1B.
J.Med.Chem., 64, 2021
7A4W
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Structure of DYRK1A in complex with compound 3
分子名称: 6-(4-methoxyphenyl)pyrimidine-2,4-diamine, Dual specificity tyrosine-phosphorylation-regulated kinase 1A
著者Dokurno, P, Surgenor, A.E, Hubbard, R.E.
登録日2020-08-20
公開日2021-06-30
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Fragment-Derived Selective Inhibitors of Dual-Specificity Kinases DYRK1A and DYRK1B.
J.Med.Chem., 64, 2021
7A5D
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Structure of DYRK1A in complex with compound 16
分子名称: 4-azanyl-2-methyl-6-pyridin-3-yl-7~{H}-pyrrolo[2,3-d]pyrimidine-5-carbonitrile, CHLORIDE ION, Dual specificity tyrosine-phosphorylation-regulated kinase 1A
著者Dokurno, P, Surgenor, A.E, Hubbard, R.E.
登録日2020-08-21
公開日2021-06-30
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Fragment-Derived Selective Inhibitors of Dual-Specificity Kinases DYRK1A and DYRK1B.
J.Med.Chem., 64, 2021

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