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5ZNM
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BU of 5znm by Molmil
Colicin D Central Domain and C-terminal tRNase domain
分子名称: Colicin-D, GLYCEROL, SULFATE ION
著者Chang, J.W, Sato, Y, Ogawa, T, Arakawa, T, Fukai, S, Fushinobu, S, Masaki, H.
登録日2018-04-10
公開日2018-08-29
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Crystal structure of the central and the C-terminal RNase domains of colicin D implicated its translocation pathway through inner membrane of target cell
J. Biochem., 164, 2018
2VGP
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BU of 2vgp by Molmil
Crystal structure of Aurora B kinase in complex with a aminothiazole inhibitor
分子名称: 4-[(5-bromo-1,3-thiazol-2-yl)amino]-N-methylbenzamide, INNER CENTROMERE PROTEIN A, SERINE/THREONINE-PROTEIN KINASE 12-A
著者Andersen, C.B, Wan, Y, Chang, J.W, Lee, C, Liu, Y, Sessa, F, Villa, F, Nallan, L, Musacchio, A, Gray, N.S.
登録日2007-11-15
公開日2008-02-26
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Discovery of Selective Aminothiazole Aurora Kinase Inhibitors
Acs Chem.Biol., 3, 2008
6EIV
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BU of 6eiv by Molmil
DYRK1A in complex with JWD-065
分子名称: Dual specificity tyrosine-phosphorylation-regulated kinase 1A, ~{N}-[3-[[4-azanyl-2-[[4-(4-methylpiperazin-1-yl)phenyl]amino]-1,3-thiazol-5-yl]carbonyl]phenyl]propanamide
著者Rothweiler, U.
登録日2017-09-19
公開日2018-08-29
最終更新日2018-09-26
実験手法X-RAY DIFFRACTION (2.68 Å)
主引用文献Novel Scaffolds for Dual Specificity Tyrosine-Phosphorylation-Regulated Kinase (DYRK1A) Inhibitors.
J. Med. Chem., 61, 2018
6EIR
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BU of 6eir by Molmil
DYRK1A in complex with XMD15-27-2
分子名称: Dual specificity tyrosine-phosphorylation-regulated kinase 1A, ~{N}-[4-[[4-azanyl-2-[[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]amino]-1,3-thiazol-5-yl]carbonyl]phenyl]propanamide
著者Rothweiler, U.
登録日2017-09-19
公開日2018-08-29
最終更新日2021-07-07
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Novel Scaffolds for Dual Specificity Tyrosine-Phosphorylation-Regulated Kinase (DYRK1A) Inhibitors.
J. Med. Chem., 61, 2018
6EIQ
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BU of 6eiq by Molmil
DYRK1A in complex with XMD14-124
分子名称: Dual specificity tyrosine-phosphorylation-regulated kinase 1A, [4-azanyl-2-[[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]amino]-1,3-thiazol-5-yl]-phenyl-methanone
著者Rothweiler, U.
登録日2017-09-19
公開日2018-08-29
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Novel Scaffolds for Dual Specificity Tyrosine-Phosphorylation-Regulated Kinase (DYRK1A) Inhibitors.
J. Med. Chem., 61, 2018
6EIS
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BU of 6eis by Molmil
DYRK1A in complex with JWC-055
分子名称: 1-[4-fluoranyl-2-(trifluoromethyl)phenyl]-9-(1~{H}-pyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one, Dual specificity tyrosine-phosphorylation-regulated kinase 1A
著者Rothweiler, U.
登録日2017-09-19
公開日2018-08-29
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.36 Å)
主引用文献Novel Scaffolds for Dual Specificity Tyrosine-Phosphorylation-Regulated Kinase (DYRK1A) Inhibitors.
J. Med. Chem., 61, 2018
6EIP
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DYRK1A in complex with XMD8-62e
分子名称: 4-[[(3~{R},7~{S})-2-cyclopentyl-9-methyl-8-oxidanylidene-2,9,12,14-tetrazatricyclo[8.4.0.0^{3,7}]tetradeca-1(14),10,12-trien-13-yl]amino]benzamide, Dual specificity tyrosine-phosphorylation-regulated kinase 1A
著者Rothweiler, U.
登録日2017-09-19
公開日2018-08-29
最終更新日2018-09-26
実験手法X-RAY DIFFRACTION (2.56 Å)
主引用文献Novel Scaffolds for Dual Specificity Tyrosine-Phosphorylation-Regulated Kinase (DYRK1A) Inhibitors.
J. Med. Chem., 61, 2018
6EJ4
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BU of 6ej4 by Molmil
DYRK1A in complex with XMD7-112
分子名称: 3-(3-pyridin-3-yl-1~{H}-pyrrolo[2,3-b]pyridin-5-yl)aniline, Dual specificity tyrosine-phosphorylation-regulated kinase 1A
著者Rothweiler, U.
登録日2017-09-20
公開日2018-08-29
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.88 Å)
主引用文献Novel Scaffolds for Dual Specificity Tyrosine-Phosphorylation-Regulated Kinase (DYRK1A) Inhibitors.
J. Med. Chem., 61, 2018
6EIL
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DYRK1A in complex with XMD8-49
分子名称: DYRK1A, [3-azanyl-6-(5-azanyl-2-methoxy-phenyl)pyrazin-2-yl]-pyridin-3-yl-methanone
著者Rothweiler, U.
登録日2017-09-19
公開日2018-08-29
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.465 Å)
主引用文献Novel Scaffolds for Dual Specificity Tyrosine-Phosphorylation-Regulated Kinase (DYRK1A) Inhibitors.
J. Med. Chem., 61, 2018
6EIJ
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DYRK1A in complex with HG-8-60-1
分子名称: Dual specificity tyrosine-phosphorylation-regulated kinase 1A, ~{N}-[5-[3-(2-morpholin-4-ylethylcarbamoylamino)phenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide
著者Rothweiler, U.
登録日2017-09-19
公開日2018-08-29
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.42 Å)
主引用文献Novel Scaffolds for Dual Specificity Tyrosine-Phosphorylation-Regulated Kinase (DYRK1A) Inhibitors.
J. Med. Chem., 61, 2018
6EIF
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BU of 6eif by Molmil
DYRK1A in complex with XMD7-117
分子名称: 4-(3-pyridin-3-yl-1~{H}-pyrrolo[2,3-b]pyridin-5-yl)benzenesulfonamide, Dual specificity tyrosine-phosphorylation-regulated kinase 1A
著者Rothweiler, U.
登録日2017-09-19
公開日2018-08-29
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.22 Å)
主引用文献Novel Scaffolds for Dual Specificity Tyrosine-Phosphorylation-Regulated Kinase (DYRK1A) Inhibitors.
J. Med. Chem., 61, 2018
8HYN
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BU of 8hyn by Molmil
Bacterial STING from Riemerella anatipestifer
分子名称: CD-NTase-associated protein 12, TETRAETHYLENE GLYCOL
著者Wang, Y.-C, Yang, C.-S, Hou, M.-H, Chen, Y.
登録日2023-01-07
公開日2024-01-10
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.089 Å)
主引用文献Structural insights into the regulation, ligand recognition, and oligomerization of bacterial STING.
Nat Commun, 14, 2023
8HWJ
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Bacterial STING from Epilithonimonas lactis in complex with 3'3'-c-di-AMP
分子名称: (2R,3R,3aS,5R,7aR,9R,10R,10aS,12R,14aR)-2,9-bis(6-amino-9H-purin-9-yl)octahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8 ]tetraoxadiphosphacyclododecine-3,5,10,12-tetrol 5,12-dioxide, CD-NTase-associated protein 12
著者Wang, Y.-C, Yang, C.-S, Hou, M.-H, Chen, Y.
登録日2022-12-30
公開日2024-01-03
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.553 Å)
主引用文献Structural insights into the regulation, ligand recognition, and oligomerization of bacterial STING.
Nat Commun, 14, 2023
8HWI
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Bacterial STING from Larkinella arboricola in complex with 3'3'-c-di-GMP
分子名称: 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), CD-NTase-associated protein 12
著者Wang, Y.-C, Yang, C.-S, Hou, M.-H, Chen, Y.
登録日2022-12-30
公開日2024-01-03
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.73 Å)
主引用文献Structural insights into the regulation, ligand recognition, and oligomerization of bacterial STING.
Nat Commun, 14, 2023
8HY8
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BU of 8hy8 by Molmil
Bacterial STING from Epilithonimonas lactis
分子名称: CD-NTase-associated protein 12
著者Wang, Y.-C, Yang, C.-S, Hou, M.-H, Chen, Y.
登録日2023-01-06
公開日2024-01-10
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.568 Å)
主引用文献Structural insights into the regulation, ligand recognition, and oligomerization of bacterial STING.
Nat Commun, 14, 2023
8HY9
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BU of 8hy9 by Molmil
Bacterial STING from Riemerella anatipestifer in complex with 3'3'-c-di-GMP
分子名称: 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), CALCIUM ION, CD-NTase-associated protein 12
著者Wang, Y.-C, Yang, C.-S, Hou, M.-H, Chen, Y.
登録日2023-01-06
公開日2024-01-10
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.462 Å)
主引用文献Structural insights into the regulation, ligand recognition, and oligomerization of bacterial STING.
Nat Commun, 14, 2023
7E2U
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BU of 7e2u by Molmil
Synechocystis GUN4 in complex with phytochrome
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-[5-[(~{Z})-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-2-[(~{Z})-[5-[(~{Z})-[(4~{R})-3-ethyl-4-methyl-5-oxidanylidene-pyrrolidin-2-ylidene]methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-pyrrol-2-ylidene]methyl]-4-methyl-1~{H}-pyrrol-3-yl]propanoic acid, CHLORIDE ION, ...
著者Liu, L, Hu, J.
登録日2021-02-07
公開日2021-08-25
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural basis of bilin binding by the chlorophyll biosynthesis regulator GUN4.
Protein Sci., 30, 2021
7E2T
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BU of 7e2t by Molmil
Synechocystis GUN4 in complex with phycocyanobilin
分子名称: 3-[2-[(~{Z})-[5-[(~{Z})-[(4~{R})-3-ethylidene-4-methyl-5-oxidanylidene-pyrrolidin-2-ylidene]methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-pyrrol-2-ylidene]methyl]-5-[(~{Z})-(4-ethyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-1~{H}-pyrrol-3-yl]propanoic acid, CHLORIDE ION, Ycf53-like protein
著者Liu, L, Hu, J.
登録日2021-02-07
公開日2021-08-25
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Structural basis of bilin binding by the chlorophyll biosynthesis regulator GUN4.
Protein Sci., 30, 2021
7E2R
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BU of 7e2r by Molmil
The ligand-free structure of Arabidopsis thaliana GUN4
分子名称: Tetrapyrrole-binding protein, chloroplastic
著者Liu, L, Hu, J.
登録日2021-02-07
公開日2021-08-25
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural basis of bilin binding by the chlorophyll biosynthesis regulator GUN4.
Protein Sci., 30, 2021
7E2S
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Synechocystis GUN4 in complex with biliverdin IXa
分子名称: BILIVERDINE IX ALPHA, GLYCEROL, Ycf53-like protein
著者Liu, L, Hu, J.
登録日2021-02-07
公開日2021-08-25
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.05 Å)
主引用文献Structural basis of bilin binding by the chlorophyll biosynthesis regulator GUN4.
Protein Sci., 30, 2021
7EQH
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Crystal structure of Arabidopsis GUN2/HO1 in complex with heme
分子名称: Heme oxygenase 1, chloroplastic, PROTOPORPHYRIN IX CONTAINING FE
著者Li, X, Wang, J, Liu, L.
登録日2021-05-02
公開日2022-05-11
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Enzymological and structural characterization of Arabidopsis thaliana heme oxygenase-1.
Febs Open Bio, 12, 2022

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