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5OGI
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BU of 5ogi by Molmil
Complex of a binding protein and human adenovirus C 5 hexon
Descriptor: 1,2-ETHANEDIOL, 1,4-DIETHYLENE DIOXIDE, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ...
Authors:Schmid, M, Ernst, P, Honegger, A, Suomalainen, M, Zimmermann, M, Braun, L, Stauffer, S, Thom, C, Dreier, B, Eibauer, M, Kipar, A, Vogel, V, Greber, U.F, Medalia, O, Plueckthun, A.
Deposit date:2017-07-13
Release date:2018-02-07
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Adenoviral vector with shield and adapter increases tumor specificity and escapes liver and immune control.
Nat Commun, 9, 2018
6EQC
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BU of 6eqc by Molmil
Cryo-EM reconstruction of a complex of a binding protein and human adenovirus C5 hexon
Descriptor: Hexon protein, scFv of 9C12 antibody
Authors:Schmid, M, Ernst, P, Honegger, A, Suomalainen, M, Zimmermann, M, Braun, L, Stauffer, S, Thom, C, Dreier, B, Eibauer, M, Kipar, A, Vogel, V, Greber, U.F, Medalia, O, Plueckthun, A.
Deposit date:2017-10-12
Release date:2018-02-07
Last modified:2018-02-14
Method:ELECTRON MICROSCOPY (7.4 Å)
Cite:Adenoviral vector with shield and adapter increases tumor specificity and escapes liver and immune control.
Nat Commun, 9, 2018
6NZU
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BU of 6nzu by Molmil
Structure of the human frataxin-bound iron-sulfur cluster assembly complex
Descriptor: Acyl carrier protein, Cysteine desulfurase, mitochondrial, ...
Authors:Fox, N.G, Yu, X, Xidong, F, Alain, M, Joseph, N, Claire, S.D, Christine, B, Han, S, Yue, W.W.
Deposit date:2019-02-14
Release date:2019-05-22
Last modified:2019-07-10
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Structure of the human frataxin-bound iron-sulfur cluster assembly complex provides insight into its activation mechanism.
Nat Commun, 10, 2019
7OJ9
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BU of 7oj9 by Molmil
NMR solution structure of SNX9 SH3 - EEEV nsP3 peptide complex
Descriptor: EEEV nsP3 peptide, Sorting nexin-9
Authors:Tossavainen, H, Permi, P.
Deposit date:2021-05-14
Release date:2022-04-13
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:Structure of SNX9 SH3 in complex with a viral ligand reveals the molecular basis of its unique specificity for alanine-containing class I SH3 motifs.
Structure, 30, 2022
8TU3
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BU of 8tu3 by Molmil
Bruton's tyrosine kinase in complex with covalent inhibitor compound 10
Descriptor: 1-[(4R)-4-{[(6P,8S)-6-(1-methyl-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxy}azepan-1-yl]propan-1-one, Tyrosine-protein kinase BTK
Authors:Metrick, C.M.
Deposit date:2023-08-15
Release date:2024-06-26
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Discovery and Preclinical Characterization of BIIB129, a Covalent, Selective, and Brain-Penetrant BTK Inhibitor for the Treatment of Multiple Sclerosis.
J.Med.Chem., 67, 2024
8TU4
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BU of 8tu4 by Molmil
Bruton's tyrosine kinase in complex with covalent inhibitor compound 25
Descriptor: N-methyl-N-[(1S,3r)-3-methyl-3-{[(6M,8S)-6-(1-methyl-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxy}cyclobutyl]propanamide, Tyrosine-protein kinase BTK
Authors:Metrick, C.M.
Deposit date:2023-08-15
Release date:2024-06-26
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Discovery and Preclinical Characterization of BIIB129, a Covalent, Selective, and Brain-Penetrant BTK Inhibitor for the Treatment of Multiple Sclerosis.
J.Med.Chem., 67, 2024
8TU5
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BU of 8tu5 by Molmil
Bruton's tyrosine kinase in complex with covalent inhibitor compound 27
Descriptor: 1-[(1S,5S,6S)-6-methyl-6-{[(6M,8R)-6-(1-methyl-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxy}-2-azabicyclo[3.2.0]heptan-2-yl]propan-1-one, Tyrosine-protein kinase BTK
Authors:Metrick, C.M.
Deposit date:2023-08-15
Release date:2024-06-26
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Discovery and Preclinical Characterization of BIIB129, a Covalent, Selective, and Brain-Penetrant BTK Inhibitor for the Treatment of Multiple Sclerosis.
J.Med.Chem., 67, 2024
3DA9
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BU of 3da9 by Molmil
Crystal structure of thrombin in complex with inhibitor
Descriptor: Hirudin peptide, SODIUM ION, Thrombin heavy chain, ...
Authors:Xue, Y, Hansson, S.K.
Deposit date:2008-05-29
Release date:2009-05-19
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Compounds binding to the S2-S3 pockets of thrombin.
J.Med.Chem., 52, 2009
7JXY
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BU of 7jxy by Molmil
Structure of TTBK1 kinase domain in complex with Compound 18
Descriptor: (3S)-1-[1-(2-aminopyrimidin-4-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-methylpent-1-yn-3-ol, Tau-tubulin kinase 1
Authors:Chodaprambil, J.V.
Deposit date:2020-08-28
Release date:2021-05-19
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Discovery of Potent and Brain-Penetrant Tau Tubulin Kinase 1 (TTBK1) Inhibitors that Lower Tau Phosphorylation In Vivo.
J.Med.Chem., 64, 2021
7JXX
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BU of 7jxx by Molmil
Structure of TTBK1 kinase domain in complex with Compound 3
Descriptor: 4-(2-amino-5,6,7,8-tetrahydropyrimido[4',5':3,4]cyclohepta[1,2-b]indol-11-yl)-2-methylbut-3-yn-2-ol, SODIUM ION, Tau-tubulin kinase 1
Authors:Chodaprambil, J.V.
Deposit date:2020-08-28
Release date:2021-05-19
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:Discovery of Potent and Brain-Penetrant Tau Tubulin Kinase 1 (TTBK1) Inhibitors that Lower Tau Phosphorylation In Vivo.
J.Med.Chem., 64, 2021
4EKF
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BU of 4ekf by Molmil
Structure of the Inactive Adenovirus Proteinase at 0.98 Angstrom Resolution
Descriptor: Adenain, SODIUM ION
Authors:Baniecki, M.L, McGrath, W.J, Mangel, W.F.
Deposit date:2012-04-09
Release date:2012-10-10
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (0.98 Å)
Cite:Regulation of a Viral Proteinase by a Peptide and DNA in One-dimensional Space: III. ATOMIC RESOLUTION STRUCTURE OF THE NASCENT FORM OF THE ADENOVIRUS PROTEINASE.
J.Biol.Chem., 288, 2013

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PDB entries from 2024-07-03

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