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5ZNM
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BU of 5znm by Molmil
Colicin D Central Domain and C-terminal tRNase domain
Descriptor: Colicin-D, GLYCEROL, SULFATE ION
Authors:Chang, J.W, Sato, Y, Ogawa, T, Arakawa, T, Fukai, S, Fushinobu, S, Masaki, H.
Deposit date:2018-04-10
Release date:2018-08-29
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.85 Å)
Cite: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
Descriptor: 4-[(5-bromo-1,3-thiazol-2-yl)amino]-N-methylbenzamide, INNER CENTROMERE PROTEIN A, SERINE/THREONINE-PROTEIN KINASE 12-A
Authors:Andersen, C.B, Wan, Y, Chang, J.W, Lee, C, Liu, Y, Sessa, F, Villa, F, Nallan, L, Musacchio, A, Gray, N.S.
Deposit date:2007-11-15
Release date:2008-02-26
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Discovery of Selective Aminothiazole Aurora Kinase Inhibitors
Acs Chem.Biol., 3, 2008
8HWJ
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BU of 8hwj by Molmil
Bacterial STING from Epilithonimonas lactis in complex with 3'3'-c-di-AMP
Descriptor: (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
Authors:Wang, Y.-C, Yang, C.-S, Hou, M.-H, Chen, Y.
Deposit date:2022-12-30
Release date:2024-01-03
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.553 Å)
Cite:Structural insights into the regulation, ligand recognition, and oligomerization of bacterial STING.
Nat Commun, 14, 2023
8HWI
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BU of 8hwi by Molmil
Bacterial STING from Larkinella arboricola in complex with 3'3'-c-di-GMP
Descriptor: 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
Authors:Wang, Y.-C, Yang, C.-S, Hou, M.-H, Chen, Y.
Deposit date:2022-12-30
Release date:2024-01-03
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.73 Å)
Cite:Structural insights into the regulation, ligand recognition, and oligomerization of bacterial STING.
Nat Commun, 14, 2023
8HYN
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BU of 8hyn by Molmil
Bacterial STING from Riemerella anatipestifer
Descriptor: CD-NTase-associated protein 12, TETRAETHYLENE GLYCOL
Authors:Wang, Y.-C, Yang, C.-S, Hou, M.-H, Chen, Y.
Deposit date:2023-01-07
Release date:2024-01-10
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.089 Å)
Cite: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
Descriptor: CD-NTase-associated protein 12
Authors:Wang, Y.-C, Yang, C.-S, Hou, M.-H, Chen, Y.
Deposit date:2023-01-06
Release date:2024-01-10
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.568 Å)
Cite: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
Descriptor: 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
Authors:Wang, Y.-C, Yang, C.-S, Hou, M.-H, Chen, Y.
Deposit date:2023-01-06
Release date:2024-01-10
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.462 Å)
Cite:Structural insights into the regulation, ligand recognition, and oligomerization of bacterial STING.
Nat Commun, 14, 2023
6EIV
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BU of 6eiv by Molmil
DYRK1A in complex with JWD-065
Descriptor: 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
Authors:Rothweiler, U.
Deposit date:2017-09-19
Release date:2018-08-29
Last modified:2018-09-26
Method:X-RAY DIFFRACTION (2.68 Å)
Cite: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
Descriptor: 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
Authors:Rothweiler, U.
Deposit date:2017-09-19
Release date:2018-08-29
Last modified:2021-07-07
Method:X-RAY DIFFRACTION (2.4 Å)
Cite: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
Descriptor: 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
Authors:Rothweiler, U.
Deposit date:2017-09-19
Release date:2018-08-29
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.3 Å)
Cite: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
Descriptor: 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
Authors:Rothweiler, U.
Deposit date:2017-09-19
Release date:2018-08-29
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.36 Å)
Cite:Novel Scaffolds for Dual Specificity Tyrosine-Phosphorylation-Regulated Kinase (DYRK1A) Inhibitors.
J. Med. Chem., 61, 2018
6EIP
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BU of 6eip by Molmil
DYRK1A in complex with XMD8-62e
Descriptor: 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
Authors:Rothweiler, U.
Deposit date:2017-09-19
Release date:2018-08-29
Last modified:2018-09-26
Method:X-RAY DIFFRACTION (2.56 Å)
Cite: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
Descriptor: 3-(3-pyridin-3-yl-1~{H}-pyrrolo[2,3-b]pyridin-5-yl)aniline, Dual specificity tyrosine-phosphorylation-regulated kinase 1A
Authors:Rothweiler, U.
Deposit date:2017-09-20
Release date:2018-08-29
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.88 Å)
Cite:Novel Scaffolds for Dual Specificity Tyrosine-Phosphorylation-Regulated Kinase (DYRK1A) Inhibitors.
J. Med. Chem., 61, 2018
6EIL
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BU of 6eil by Molmil
DYRK1A in complex with XMD8-49
Descriptor: DYRK1A, [3-azanyl-6-(5-azanyl-2-methoxy-phenyl)pyrazin-2-yl]-pyridin-3-yl-methanone
Authors:Rothweiler, U.
Deposit date:2017-09-19
Release date:2018-08-29
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.465 Å)
Cite: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
Descriptor: 4-(3-pyridin-3-yl-1~{H}-pyrrolo[2,3-b]pyridin-5-yl)benzenesulfonamide, Dual specificity tyrosine-phosphorylation-regulated kinase 1A
Authors:Rothweiler, U.
Deposit date:2017-09-19
Release date:2018-08-29
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.22 Å)
Cite:Novel Scaffolds for Dual Specificity Tyrosine-Phosphorylation-Regulated Kinase (DYRK1A) Inhibitors.
J. Med. Chem., 61, 2018
6EIJ
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BU of 6eij by Molmil
DYRK1A in complex with HG-8-60-1
Descriptor: 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
Authors:Rothweiler, U.
Deposit date:2017-09-19
Release date:2018-08-29
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.42 Å)
Cite:Novel Scaffolds for Dual Specificity Tyrosine-Phosphorylation-Regulated Kinase (DYRK1A) Inhibitors.
J. Med. Chem., 61, 2018
7E2U
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BU of 7e2u by Molmil
Synechocystis GUN4 in complex with phytochrome
Descriptor: 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, ...
Authors:Liu, L, Hu, J.
Deposit date:2021-02-07
Release date:2021-08-25
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural basis of bilin binding by the chlorophyll biosynthesis regulator GUN4.
Protein Sci., 30, 2021
7E2S
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BU of 7e2s by Molmil
Synechocystis GUN4 in complex with biliverdin IXa
Descriptor: BILIVERDINE IX ALPHA, GLYCEROL, Ycf53-like protein
Authors:Liu, L, Hu, J.
Deposit date:2021-02-07
Release date:2021-08-25
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.05 Å)
Cite: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
Descriptor: Tetrapyrrole-binding protein, chloroplastic
Authors:Liu, L, Hu, J.
Deposit date:2021-02-07
Release date:2021-08-25
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.3 Å)
Cite: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
Descriptor: 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
Authors:Liu, L, Hu, J.
Deposit date:2021-02-07
Release date:2021-08-25
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Structural basis of bilin binding by the chlorophyll biosynthesis regulator GUN4.
Protein Sci., 30, 2021
7EQH
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BU of 7eqh by Molmil
Crystal structure of Arabidopsis GUN2/HO1 in complex with heme
Descriptor: Heme oxygenase 1, chloroplastic, PROTOPORPHYRIN IX CONTAINING FE
Authors:Li, X, Wang, J, Liu, L.
Deposit date:2021-05-02
Release date:2022-05-11
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Enzymological and structural characterization of Arabidopsis thaliana heme oxygenase-1.
Febs Open Bio, 12, 2022

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