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5JVD
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BU of 5jvd by Molmil
Tubulin-TUB092 complex
Descriptor: (2E)-3-(3-hydroxy-4-methoxyphenyl)-1-(7-methoxy-2H-1,3-benzodioxol-5-yl)-2-methylprop-2-en-1-one, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ...
Authors:Canela, M.-D, Noppen, S, Bueno, O, Prota, A.E, Bargsten, K, Saez-Calvo, G, Jimeno, M.-L, Benkheil, M, Ribatti, D, Velazquez, S, Camarasa, M.-J, Diaz, J.F, Steinmetz, M.O, Priego, E.-M, Perez-Perez, M.-J, Liekens, S.
Deposit date:2016-05-11
Release date:2016-06-08
Last modified:2017-09-06
Method:X-RAY DIFFRACTION (2.393 Å)
Cite:Antivascular and antitumor properties of the tubulin-binding chalcone TUB091.
Oncotarget, 8, 2017
2J0F
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BU of 2j0f by Molmil
Structural basis for non-competitive product inhibition in human thymidine phosphorylase: implication for drug design
Descriptor: THYMIDINE PHOSPHORYLASE, THYMINE
Authors:El Omari, K, Bronckaers, A, Liekens, S, Perez-Perez, M.J, Balzarini, J, Stammers, D.K.
Deposit date:2006-08-02
Release date:2006-10-11
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:Structural Basis for Non-Competitive Product Inhibition in Human Thymidine Phosphorylase: Implications for Drug Design.
Biochem.J., 399, 2006
6FKL
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BU of 6fkl by Molmil
Tubulin-TUB015 complex
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-{1-[(2-Methoxyphenyl)amino]ethylidene}-5-phenyl-1,3-cyclohexanedione, CALCIUM ION, ...
Authors:Prota, A.E, Steinmetz, M.O, Priego, E.-M.
Deposit date:2018-01-24
Release date:2018-03-21
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.098 Å)
Cite:High-affinity ligands of the colchicine domain in tubulin based on a structure-guided design.
Sci Rep, 8, 2018
6FKJ
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BU of 6fkj by Molmil
Tubulin-TUB075 complex
Descriptor: (5~{S})-2-[(~{E})-~{N}-(2-ethoxyphenyl)-~{C}-methyl-carbonimidoyl]-3-oxidanyl-5-phenyl-cyclohex-2-en-1-one, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ...
Authors:Prota, A.E, Steinmetz, M.O, Priego, E.-M.
Deposit date:2018-01-24
Release date:2018-03-21
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.148 Å)
Cite:High-affinity ligands of the colchicine domain in tubulin based on a structure-guided design.
Sci Rep, 8, 2018
8P99
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BU of 8p99 by Molmil
SARS-CoV-2 S-protein:D614G mutant in 1-up conformation
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1,Spike glycoprotein
Authors:Adhav, A, Forcada-Nadal, A, Marco-Marin, C, Lopez-Redondo, M.L, Llacer, J.L.
Deposit date:2023-06-05
Release date:2023-09-27
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:C-2 Thiophenyl Tryptophan Trimers Inhibit Cellular Entry of SARS-CoV-2 through Interaction with the Viral Spike (S) Protein.
J.Med.Chem., 66, 2023
8P9Y
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BU of 8p9y by Molmil
SARS-CoV-2 S protein S:D614G mutant in 3-down with binding site of an entry inhibitor
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, SODIUM ION, ...
Authors:Adhav, A, Forcada-Nadal, A, Marco-Marin, C, Lopez-Redondo, M.L, Llacer, J.L.
Deposit date:2023-06-06
Release date:2023-09-27
Method:ELECTRON MICROSCOPY (4.3 Å)
Cite:C-2 Thiophenyl Tryptophan Trimers Inhibit Cellular Entry of SARS-CoV-2 through Interaction with the Viral Spike (S) Protein.
J.Med.Chem., 66, 2023

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