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7CE6
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BU of 7ce6 by Molmil
Crystal structure of T2R-TTL-Compound9 complex
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GLYCEROL, ...
Authors:Chen, L.J, Chen, Q, Yu, Y, Yang, J.H.
Deposit date:2020-06-22
Release date:2021-06-30
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.695 Å)
Cite:Small Molecules Promote Selective Denaturation and Degradation of Tubulin Heterodimers through a Low-Barrier Hydrogen Bond.
J.Med.Chem., 65, 2022
7CDA
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BU of 7cda by Molmil
Crystal structure of T2R-TTL-PAC complex
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GLYCEROL, ...
Authors:Chen, L.J, Chen, Q, Yu, Y, Yang, J.H.
Deposit date:2020-06-19
Release date:2021-06-23
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.659 Å)
Cite:Small Molecules Promote Selective Denaturation and Degradation of Tubulin Heterodimers through a Low-Barrier Hydrogen Bond.
J.Med.Chem., 65, 2022
7CBZ
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BU of 7cbz by Molmil
Crystal structure of T2R-TTL-A31 complex
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-[5-[4-[2-[4-(2-cyclopropylethanoyl)piperazin-1-yl]ethoxy]phenyl]pyridin-2-yl]-N-(phenylmethyl)ethanamide, CALCIUM ION, ...
Authors:Yang, J.H, Yan, W.
Deposit date:2020-06-15
Release date:2021-06-23
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.61 Å)
Cite:Design, Synthesis, and Bioactivity Evaluation of Dual-Target Inhibitors of Tubulin and Src Kinase Guided by Crystal Structure.
J.Med.Chem., 64, 2021
7AU5
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BU of 7au5 by Molmil
Tubulin-noscapine-analogue-14e complex
Descriptor: (5~{R})-5-[(1~{S})-4,5-dimethoxy-1,3-dihydro-2-benzofuran-1-yl]-~{N}-ethyl-4-methoxy-7,8-dihydro-5~{H}-[1,3]dioxolo[4,5-g]isoquinoline-6-carboxamide, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ...
Authors:Yong, C, Devine, S.M, Abel, A.-C, Muthiah, D, Gao, X, Callaghan, R, Capuano, B, Steinmetz, M.O, Prota, A.E, Scammels, P.J.
Deposit date:2020-11-02
Release date:2021-07-07
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:1,3-Benzodioxole-Modified Noscapine Analogues: Synthesis, Antiproliferative Activity, and Tubulin-Bound Structure.
Chemmedchem, 16, 2021
7AS4
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BU of 7as4 by Molmil
Recombinant human gTuRC
Descriptor: Actin, cytoplasmic 1, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Serna, M, Fernandez-Leiro, R, Llorca, O.
Deposit date:2020-10-26
Release date:2021-01-20
Last modified:2024-05-01
Method:ELECTRON MICROSCOPY (4.13 Å)
Cite:Assembly of the asymmetric human gamma-tubulin ring complex by RUVBL1-RUVBL2 AAA ATPase.
Sci Adv, 6, 2020
7ANZ
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BU of 7anz by Molmil
Structure of the Candida albicans gamma-Tubulin Small Complex
Descriptor: Spindle pole body component, Tubulin gamma chain
Authors:Zupa, E, Pfeffer, S.
Deposit date:2020-10-13
Release date:2020-11-04
Last modified:2024-05-01
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:The cryo-EM structure of a gamma-TuSC elucidates architecture and regulation of minimal microtubule nucleation systems.
Nat Commun, 11, 2020
7ALR
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BU of 7alr by Molmil
Crystal structure of TD1-gatorbulin1 complex
Descriptor: (2~{R})-2-oxidanyl-2-[(6~{S},9~{S},12~{S},15~{S},17~{S})-6,10,12,17-tetramethyl-3-methylidene-7-oxidanyl-2,5,8,11,14-pentakis(oxidanylidene)-13-oxa-1,4,7,10-tetrazabicyclo[13.3.0]octadecan-9-yl]ethanamide, Designed Ankyrin Repeat Protein (DARPIN) D1, GLYCEROL, ...
Authors:Oliva, M.A, Diaz, J.F.
Deposit date:2020-10-07
Release date:2021-03-03
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Gatorbulin-1, a distinct cyclodepsipeptide chemotype, targets a seventh tubulin pharmacological site.
Proc.Natl.Acad.Sci.USA, 118, 2021
7AC5
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BU of 7ac5 by Molmil
Structure of Tubulin Darpin complex 1 collected by rotation serial crystallography on a COC membrane at a synchrotron source
Descriptor: 2-(2-METHOXYETHOXY)ETHANOL, Designed Ankyrin Repeat Protein (DARPIN) D1, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Martiel, I, Olieric, N, Wranik, M, Padeste, C, Karpik, A, Huang, C.Y, Wang, M, Marsh, M.
Deposit date:2020-09-10
Release date:2021-09-01
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Versatile microporous polymer-based supports for serial macromolecular crystallography.
Acta Crystallogr D Struct Biol, 77, 2021
6ZWC
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BU of 6zwc by Molmil
Z-SBTub2 photoswitch bound to tubulin-DARPin D1 complex
Descriptor: 2-[2-(3,4,5-trimethoxyphenyl)ethyl]-1,3-benzothiazole, Designed Ankyrin Repeat Protein (DARPIN) D1, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Wranik, M, Weinert, T, Olieric, N, Gao, L, Kraus, Y.C.M, Bingham, R, Ntouliou, E, Ahlfeld, J, Thorn-Seshold, O, Steinmetz, M.O, Standfuss, J.
Deposit date:2020-07-28
Release date:2020-12-23
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:A Robust, GFP-Orthogonal Photoswitchable Inhibitor Scaffold Extends Optical Control over the Microtubule Cytoskeleton.
Cell Chem Biol, 28, 2021
6ZWB
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BU of 6zwb by Molmil
Z-SBTub3 photoswitch bound to tubulin-DARPin D1 complex
Descriptor: 5-[2-(1,3-benzothiazol-2-yl)ethyl]-2-methoxy-phenol, Designed Ankyrin Repeat Protein (DARPIN) D1, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Wranik, M, Weinert, T, Olieric, N, Gao, L, Kraus, Y.C.M, Bingham, R, Ntouliou, E, Ahlfeld, J, Thorn-Seshold, O, Steinmetz, M.O, Standfuss, J.
Deposit date:2020-07-28
Release date:2020-12-23
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.747 Å)
Cite:A Robust, GFP-Orthogonal Photoswitchable Inhibitor Scaffold Extends Optical Control over the Microtubule Cytoskeleton.
Cell Chem Biol, 28, 2021
6ZPI
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BU of 6zpi by Molmil
Microtubule complexed with Kif15 motor domain. Symmetrised asymmetric unit
Descriptor: GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, Kinesin-like protein KIF15, ...
Authors:Atherton, J, Hummel, J.J.A, Olieric, N, Locke, J, Pena, A, Rosenfeld, S.S, Steinmetz, M.O, Hoogenraad, C.C, Moores, C.A.
Deposit date:2020-07-08
Release date:2020-12-30
Method:ELECTRON MICROSCOPY (4.5 Å)
Cite:The mechanism of kinesin inhibition by kinesin-binding protein.
Elife, 9, 2020
6YM9
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BU of 6ym9 by Molmil
Mycobacterium tuberculosis FtsZ in complex with GTP-gamma-S
Descriptor: 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, Cell division protein FtsZ
Authors:Alnami, A.T, Norton, R.S, Pena, H.P, Haider, M, kozielski, F.
Deposit date:2020-04-08
Release date:2021-04-21
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Conformational Flexibility of A Highly Conserved Helix Controls Cryptic Pocket Formation in FtsZ.
J.Mol.Biol., 433, 2021
6YM1
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BU of 6ym1 by Molmil
Mycobacterium tuberculosis FtsZ in complex with GDP
Descriptor: Cell division protein FtsZ, GUANOSINE-5'-DIPHOSPHATE
Authors:Alnami, A.T, Norton, R.S, Pena, H.P, Haider, M, kozielski, F.
Deposit date:2020-04-07
Release date:2021-04-14
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Conformational Flexibility of A Highly Conserved Helix Controls Cryptic Pocket Formation in FtsZ.
J.Mol.Biol., 433, 2021
6YD6
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BU of 6yd6 by Molmil
SaFtsZ-UCM152 (comp.20)
Descriptor: 1,2-ETHANEDIOL, 1-methylpyrrolidin-2-one, 2,6-bis(fluoranyl)-3-[[3-(trifluoromethyl)phenyl]methoxy]benzamide, ...
Authors:Fernandez-Tornero, C, Ruiz, F.M, Andreu, J.M.
Deposit date:2020-03-20
Release date:2021-07-28
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Targeting the FtsZ Allosteric Binding Site with a Novel Fluorescence Polarization Screen, Cytological and Structural Approaches for Antibacterial Discovery.
J.Med.Chem., 64, 2021
6YD5
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BU of 6yd5 by Molmil
SaFtsZ-UCM151 (comp. 18)
Descriptor: 1,2-ETHANEDIOL, 1-methylpyrrolidin-2-one, 3-[(3-chlorophenyl)methoxy]-2,6-bis(fluoranyl)benzamide, ...
Authors:Fernandez-Tornero, C, Ruiz, F.M, Andreu, J.M.
Deposit date:2020-03-20
Release date:2021-07-28
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Targeting the FtsZ Allosteric Binding Site with a Novel Fluorescence Polarization Screen, Cytological and Structural Approaches for Antibacterial Discovery.
J.Med.Chem., 64, 2021
6YD1
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BU of 6yd1 by Molmil
SaFtsZ-DFMBA
Descriptor: 2,6-difluoro-3-methoxybenzamide, Cell division protein FtsZ, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Fernandez-Tornero, C, Ruiz, F.M, Andreu, J.M.
Deposit date:2020-03-20
Release date:2021-07-28
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Targeting the FtsZ Allosteric Binding Site with a Novel Fluorescence Polarization Screen, Cytological and Structural Approaches for Antibacterial Discovery.
J.Med.Chem., 64, 2021
6Y6D
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BU of 6y6d by Molmil
Tubulin-7-Aminonoscapine complex
Descriptor: (3~{S})-7-azanyl-6-methoxy-3-[(5~{R})-4-methoxy-6-methyl-7,8-dihydro-5~{H}-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-3~{H}-2-benzofuran-1-one, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ...
Authors:Oliva, M.A, Prota, A.E, Rodriguez-Salarichs, J, Gu, W, Bennani, Y.L, Jimenez-Barbero, J, Canales, A, Steinmetz, M.O, Diaz, J.F.
Deposit date:2020-02-26
Release date:2020-07-22
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural Basis of Noscapine Activation for Tubulin Binding.
J.Med.Chem., 63, 2020
6Y4N
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BU of 6y4n by Molmil
Structure of Tubulin Tyrosine Ligase in Complex with Tb116
Descriptor: (2~{R})-1-methylpiperidine-2-carboxylic acid, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ...
Authors:Gavrilyuk, J, Nocek, B, Rigol, S, Nicolaou, K.C, Stoll, V.
Deposit date:2020-02-21
Release date:2021-03-31
Last modified:2022-11-23
Method:X-RAY DIFFRACTION (2.852 Å)
Cite:Design, Synthesis, and Biological Evaluation of Tubulysin Analogues, Linker-Drugs, and Antibody-Drug Conjugates, Insights into Structure-Activity Relationships, and Tubulysin-Tubulin Binding Derived from X-ray Crystallographic Analysis.
J.Org.Chem., 86, 2021
6Y4M
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BU of 6y4m by Molmil
Structure of Tubulin Tyrosine Ligase in Complex with Tb111
Descriptor: (2~{R})-1-methylpiperidine-2-carboxylic acid, (2~{S},4~{R})-4-azanyl-2-methyl-5-phenyl-pentanoic acid, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ...
Authors:Gavrilyuk, J, Nocek, B, Rigol, S, Nicolaou, K.C, Stoll, V.
Deposit date:2020-02-21
Release date:2021-03-31
Last modified:2022-11-23
Method:X-RAY DIFFRACTION (3.34 Å)
Cite:Design, Synthesis, and Biological Evaluation of Tubulysin Analogues, Linker-Drugs, and Antibody-Drug Conjugates, Insights into Structure-Activity Relationships, and Tubulysin-Tubulin Binding Derived from X-ray Crystallographic Analysis.
J.Org.Chem., 86, 2021
6Y1V
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BU of 6y1v by Molmil
Mycobacterium tuberculosis FtsZ-GTP-gamma-S in complex with 4-hydroxycoumarin
Descriptor: 4-HYDROXY-2H-CHROMEN-2-ONE, 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, Cell division protein FtsZ, ...
Authors:Alnami, A.T, Norton, R.S, Pena, H.P, Haider, M, kozielski, F.
Deposit date:2020-02-13
Release date:2021-06-09
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Conformational Flexibility of A Highly Conserved Helix Controls Cryptic Pocket Formation in FtsZ.
J.Mol.Biol., 433, 2021
6Y1U
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BU of 6y1u by Molmil
Mycobacterium tuberculosis FtsZ-GDP in complex with 4-hydroxycoumarin
Descriptor: 4-HYDROXY-2H-CHROMEN-2-ONE, Cell division protein FtsZ, DIMETHYL SULFOXIDE, ...
Authors:Alnami, A.T, Norton, R.S, Pena, H.P, Haider, M, kozielski, F.
Deposit date:2020-02-13
Release date:2021-06-09
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Conformational Flexibility of A Highly Conserved Helix Controls Cryptic Pocket Formation in FtsZ.
J.Mol.Biol., 433, 2021
6XET
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BU of 6xet by Molmil
Tubulin-RB3_SLD in complex with compound 60c
Descriptor: GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
Authors:White, S.W, Yun, M.
Deposit date:2020-06-13
Release date:2021-08-25
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Design, Synthesis, and Biological Evaluation of Stable Colchicine-Binding Site Tubulin Inhibitors 6-Aryl-2-benzoyl-pyridines as Potential Anticancer Agents.
J.Med.Chem., 64, 2021
6XES
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BU of 6xes by Molmil
Tubulin-RB3_SLD in complex with compound 40a
Descriptor: DIMETHYL SULFOXIDE, GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, ...
Authors:White, S.W, Yun, M.
Deposit date:2020-06-13
Release date:2021-08-25
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.32 Å)
Cite:Design, Synthesis, and Biological Evaluation of Stable Colchicine-Binding Site Tubulin Inhibitors 6-Aryl-2-benzoyl-pyridines as Potential Anticancer Agents.
J.Med.Chem., 64, 2021
6XER
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BU of 6xer by Molmil
Tubulin-RB3_SLD in complex with colchicine
Descriptor: GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
Authors:White, S.W, Yun, M.
Deposit date:2020-06-13
Release date:2021-08-25
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Design, Synthesis, and Biological Evaluation of Stable Colchicine-Binding Site Tubulin Inhibitors 6-Aryl-2-benzoyl-pyridines as Potential Anticancer Agents.
J.Med.Chem., 64, 2021
6X1F
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BU of 6x1f by Molmil
Tubulin-RB3_SLD-TTL in complex with compound 5m
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 7-methoxy-4-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-3,4-dihydroquinoxalin-2(1H)-one, CALCIUM ION, ...
Authors:White, S.W, Yun, M.
Deposit date:2020-05-18
Release date:2021-09-22
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:X-ray Crystallography-Guided Design, Antitumor Efficacy, and QSAR Analysis of Metabolically Stable Cyclopenta-Pyrimidinyl Dihydroquinoxalinone as a Potent Tubulin Polymerization Inhibitor.
J.Med.Chem., 64, 2021

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