7XR1
 
 | | Crystal structure of T2R-TTL-3a complex | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-chloranyl-6-fluoranyl-N-(4-methoxyphenyl)-N-methyl-quinazolin-4-amine, CALCIUM ION, ... | | Authors: | Lun, T, Wu, C.Y. | | Deposit date: | 2022-05-09 | | Release date: | 2023-05-17 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.81 Å) | | Cite: | Crystal structure of T2R-TTL-3a complex
To Be Published
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7DB9
 | | IC1 in complex with tubulin | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3-[(2,4,6-TRIMETHOXY-PHENYL)-METHYLENE]-INDOLIN-2-ONE, CALCIUM ION, ... | | Authors: | Wu, C.Y, Wang, Y.X. | | Deposit date: | 2020-10-19 | | Release date: | 2021-10-20 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.845 Å) | | Cite: | IC1 in complex with tubulin
To Be Published
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7DAD
 | | EPD in complex with tubulin | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Wang, Y, Wu, C. | | Deposit date: | 2020-10-16 | | Release date: | 2021-03-24 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | High-resolution X-ray structure of three microtubule-stabilizing agents in complex with tubulin provide a rationale for drug design.
Biochem.Biophys.Res.Commun., 534, 2021
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6D88
 | | Tubulin-RB3_SLD-TTL in complex with compound 13f | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, ... | | Authors: | Kumar, G, Wang, Y, Li, W, White, S.W. | | Deposit date: | 2018-04-26 | | Release date: | 2018-09-12 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.853 Å) | | Cite: | Structural Modification of the 3,4,5-Trimethoxyphenyl Moiety in the Tubulin Inhibitor VERU-111 Leads to Improved Antiproliferative Activities.
J. Med. Chem., 61, 2018
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6WWG
 | | KIF14[391-772] dimer two-heads-bound state - ADP-AlFx in complex with a microtubule | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ALUMINUM FLUORIDE, GUANOSINE-5'-DIPHOSPHATE, ... | | Authors: | Benoit, M.P.M.H, Asenjo, A.B, Paydar, M, Dhakal, S, Kwok, B, Sosa, H. | | Deposit date: | 2020-05-09 | | Release date: | 2021-05-05 | | Last modified: | 2024-05-29 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Structural basis of mechano-chemical coupling by the mitotic kinesin KIF14.
Nat Commun, 12, 2021
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6X1C
 | | Tubulin-RB3_SLD-TTL in complex with compound 5j | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-(2-chlorofuro[3,2-d]pyrimidin-4-yl)-7-methoxy-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 (2.9 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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6X1E
 | | Tubulin-RB3_SLD-TTL in complex with compound 5l | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-(2-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-7-methoxy-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 (2.9 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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5XIW
 | | Crystal structure of T2R-TTL-Colchicine complex | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GLYCEROL, ... | | Authors: | Wang, Y, Yang, J, Wang, T, Chen, L. | | Deposit date: | 2017-04-27 | | Release date: | 2018-04-18 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | The compound millepachine and its derivatives inhibit tubulin polymerization by irreversibly binding to the colchicine-binding site in beta-tubulin.
J. Biol. Chem., 2018
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7LVQ
 | | KIF14[391-743] - AMP-PNP closed state class in complex with a microtubule | | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, Kinesin-like protein KIF14, ... | | Authors: | Benoit, M.P.M.H, Asenjo, A.B, Paydar, M, Dhakal, S, Kwok, B, Sosa, H. | | Deposit date: | 2021-02-26 | | Release date: | 2021-05-05 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Structural basis of mechano-chemical coupling by the mitotic kinesin KIF14.
Nat Commun, 12, 2021
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7LVR
 | | KIF14[391-743] - ADP-AlFx closed state class in complex with a microtubule | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ALUMINUM FLUORIDE, GUANOSINE-5'-DIPHOSPHATE, ... | | Authors: | Benoit, M.P.M.H, Asenjo, A.B, Paydar, M, Dhakal, S, Kwok, B, Sosa, H. | | Deposit date: | 2021-02-26 | | Release date: | 2021-05-05 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Structural basis of mechano-chemical coupling by the mitotic kinesin KIF14.
Nat Commun, 12, 2021
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7LZ8
 | | Tubulin-RB3_SLD-TTL in complex with compound 5t | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-[2-(ethylamino)pyrido[3,2-d]pyrimidin-4-yl]-7-methoxy-3,4-dihydroquinoxalin-2(1H)-one, CALCIUM ION, ... | | Authors: | White, S.W, Yun, M. | | Deposit date: | 2021-03-09 | | Release date: | 2021-09-22 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.92 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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5YLS
 | | Crystal structure of T2R-TTL-Y50 complex | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, E-3-(3-azanyl-4-methoxy-phenyl)-1-(5-methoxy-2,2-dimethyl-chromen-8-yl)prop-2-en-1-one, ... | | Authors: | Yang, J.H, Chen, L.J. | | Deposit date: | 2017-10-18 | | Release date: | 2018-04-11 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | The compound millepachine and its derivatives inhibit tubulin polymerization by irreversibly binding to the colchicine-binding site in beta-tubulin.
J. Biol. Chem., 293, 2018
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6WWQ
 | | KIF14[391-743] - ADP in complex with a microtubule | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, ... | | Authors: | Benoit, M.P.M.H, Asenjo, A.B, Paydar, M, Dhakal, S, Kwok, B, Sosa, H. | | Deposit date: | 2020-05-09 | | Release date: | 2021-05-05 | | Last modified: | 2024-05-29 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Structural basis of mechano-chemical coupling by the mitotic kinesin KIF14.
Nat Commun, 12, 2021
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6WWK
 | | KIF14[391-755] dimer two-heads-bound state - ADP-AlFx in complex with a microtubule | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ALUMINUM FLUORIDE, GUANOSINE-5'-DIPHOSPHATE, ... | | Authors: | Benoit, M.P.M.H, Asenjo, A.B, Paydar, M, Dhakal, S, Kwok, B, Sosa, H. | | Deposit date: | 2020-05-09 | | Release date: | 2021-05-05 | | Last modified: | 2024-05-29 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Structural basis of mechano-chemical coupling by the mitotic kinesin KIF14.
Nat Commun, 12, 2021
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7TR2
 | | Apo CaKip3[2-436]-L2-mutant(HsKHC) in complex with a microtubule | | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, Kinesin-like protein,Kinesin-1 heavy chain, ... | | Authors: | Benoit, M.P.M.H, Asenjo, A.B, Hunter, B, Allingham, J.S, Sosa, H. | | Deposit date: | 2022-01-27 | | Release date: | 2022-07-13 | | Last modified: | 2024-02-21 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Kinesin-8-specific loop-2 controls the dual activities of the motor domain according to tubulin protofilament shape.
Nat Commun, 13, 2022
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8UTV
 | | KIF1A[1-393] P305L mutant ADP bound in complex with a microtubule | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, ... | | Authors: | Benoit, M.P.M.H, Rao, L, Asenjo, A.B, Gennerich, A, Sosa, H. | | Deposit date: | 2023-10-31 | | Release date: | 2024-06-12 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Cryo-EM of human KIF1A reveals its mechanism of motility and the effect of its pathogenic variant P305L
To Be Published
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8UTU
 | | KIF1A[1-393] P305L mutant AMP-PNP bound one and two heads bound states merged, in complex with a microtubule | | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, Kinesin-like protein KIF1A, ... | | Authors: | Benoit, M.P.M.H, Rao, L, Asenjo, A.B, Gennerich, A, Sosa, H. | | Deposit date: | 2023-10-31 | | Release date: | 2024-06-12 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Cryo-EM of human KIF1A reveals its mechanism of motility and the effect of its pathogenic variant P305L
To Be Published
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6O5N
 | | Tubulin-RB3_SLD-TTL in complex with compound 10ab | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, ... | | Authors: | Kumar, G, Wang, Y, Li, W, White, S.W. | | Deposit date: | 2019-03-04 | | Release date: | 2019-07-10 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (3.003 Å) | | Cite: | Structure-Guided Design, Synthesis, and Biological Evaluation of (2-(1H-Indol-3-yl)-1H-imidazol-4-yl)(3,4,5-trimethoxyphenyl) Methanone (ABI-231) Analogues Targeting the Colchicine Binding Site in Tubulin.
J.Med.Chem., 62, 2019
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7DBD
 | | 444 in complex with tubulin | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, ... | | Authors: | Wu, C.Y, Wang, Y.X. | | Deposit date: | 2020-10-19 | | Release date: | 2021-10-20 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (3.094 Å) | | Cite: | 444 in complex with tubulin
To Be Published
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6WWV
 | | KIF14[391-735] - ANP-PNP in complex with a microtubule | | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, Kinesin-like protein KIF14, ... | | Authors: | Benoit, M.P.M.H, Asenjo, A.B, Paydar, M, Dhakal, S, Kwok, B, Sosa, H. | | Deposit date: | 2020-05-09 | | Release date: | 2021-05-05 | | Last modified: | 2024-05-29 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Structural basis of mechano-chemical coupling by the mitotic kinesin KIF14.
Nat Commun, 12, 2021
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6WWP
 | | Apo KIF14[391-743] in complex with a microtubule | | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, Kinesin-like protein KIF14, ... | | Authors: | Benoit, M.P.M.H, Asenjo, A.B, Paydar, M, Dhakal, S, Kwok, B, Sosa, H. | | Deposit date: | 2020-05-09 | | Release date: | 2021-05-05 | | Last modified: | 2024-05-29 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Structural basis of mechano-chemical coupling by the mitotic kinesin KIF14.
Nat Commun, 12, 2021
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6WWL
 | | KIF14[391-755] dimer two-heads-bound state - AMP-PNP in complex with a microtubule | | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, Kinesin-like protein KIF14, ... | | Authors: | Benoit, M.P.M.H, Asenjo, A.B, Paydar, M, Dhakal, S, Kwok, B, Sosa, H. | | Deposit date: | 2020-05-09 | | Release date: | 2021-05-05 | | Last modified: | 2024-05-29 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Structural basis of mechano-chemical coupling by the mitotic kinesin KIF14.
Nat Commun, 12, 2021
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7TR1
 | | CaKip3[2-436]-L2-mutant(HsKHC) - AMP-PNP in complex with a microtubule | | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, Kinesin-like protein,Kinesin-1 heavy chain, ... | | Authors: | Benoit, M.P.M.H, Asenjo, A.B, Hunter, B, Allingham, J.S, Sosa, H. | | Deposit date: | 2022-01-27 | | Release date: | 2022-07-20 | | Last modified: | 2024-02-21 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Kinesin-8-specific loop-2 controls the dual activities of the motor domain according to tubulin protofilament shape.
Nat Commun, 13, 2022
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8F1A
 | | Apo KIF20A[1-565] class-1 in complex with a microtubule | | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, Kinesin-like protein KIF20A, ... | | Authors: | Benoit, M.P.M.H, Asenjo, A.B, Crozet, V, Ranaivoson, F.M, Houdusse, A, Sosa, H. | | Deposit date: | 2022-11-04 | | Release date: | 2023-09-20 | | Last modified: | 2023-10-04 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Nucleotide-free structures of KIF20A illuminate atypical mechanochemistry in this kinesin-6.
Open Biology, 13, 2023
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8UTN
 | | KIF1A[1-393] AMP-PNP bound two-heads-bound state in complex with a microtubule (class T23L1) | | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, Kinesin-like protein KIF1A, ... | | Authors: | Benoit, M.P.M.H, Rao, L, Asenjo, A.B, Gennerich, A, Sosa, H. | | Deposit date: | 2023-10-31 | | Release date: | 2024-06-12 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Cryo-EM of human KIF1A reveals its mechanism of motility and the effect of its pathogenic variant P305L
To Be Published
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