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8A0L
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BU of 8a0l by Molmil
Tubulin-CW1-complex
Descriptor: (3~{S},4~{R},8~{S},10~{S},12~{S},14~{S})-14-[(~{Z},4~{R})-4-(hydroxymethyl)hex-2-en-2-yl]-4,12-dimethoxy-9,9-dimethyl-3,8,10-tris(oxidanyl)-1-oxacyclotetradecan-2-one, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ...
Authors:Prota, A.E, Diaz, J.F, Steinmetz, M.O, Oliva, M.A.
Deposit date:2022-05-28
Release date:2022-12-14
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.9981 Å)
Cite:Chemical modulation of microtubule structure through the laulimalide/peloruside site.
Structure, 31, 2023
7ZX2
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BU of 7zx2 by Molmil
Tubulin-Pelophen B complex
Descriptor: (3R,4S,7S,9S,11S)-3,4,11-trihydroxy-7-((R,Z)-4-(hydroxymethyl)hex-2-en-2-yl)-9-methoxy-12,12-dimethyl-6-oxa-1(1,3)-benzenacyclododecaphan-5-one, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ...
Authors:Estevez-Gallego, J, Diaz, J.F, Van der Eycken, J, Oliva, M.A.
Deposit date:2022-05-20
Release date:2022-11-23
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Chemical modulation of microtubule structure through the laulimalide/peloruside site.
Structure, 31, 2023
8AHM
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BU of 8ahm by Molmil
Crystal structure of tubulin in complex with C(13)/C(13')-Bis-Desmethyl-Disorazole Z
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, DIMETHYL SULFOXIDE, ...
Authors:Oliva, M.A, Diaz, J.F, Altmann, K.H.
Deposit date:2022-07-22
Release date:2022-11-16
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.42 Å)
Cite:Synthesis and Biological Evaluation of C(13)/C(13')-Bis(desmethyl)disorazole Z.
Angew.Chem.Int.Ed.Engl., 62, 2023
7ODN
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BU of 7odn by Molmil
Crystal structure of TD1-mebendazole complex
Descriptor: CHLORIDE ION, Designed Ankyrin Repeat Protein (DARPIN) D1, GLYCEROL, ...
Authors:Oliva, M.A, Bonato, F, Diaz, J.F.
Deposit date:2021-04-30
Release date:2022-04-06
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:Effect of Clinically Used Microtubule Targeting Drugs on Viral Infection and Transport Function.
Int J Mol Sci, 23, 2022
7OGN
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BU of 7ogn by Molmil
Crystal structure of T2R-TTL -mebendazole complex
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, CHLORIDE ION, ...
Authors:Oliva, M.A, Bonato, F, Diaz, J.F.
Deposit date:2021-05-07
Release date:2022-04-06
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Effect of Clinically Used Microtubule Targeting Drugs on Viral Infection and Transport Function.
Int J Mol Sci, 23, 2022
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
7ZYW
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BU of 7zyw by Molmil
Crystal structure of T2R-TTL-PM534 complex
Descriptor: (4R)-N-[(1R)-1-[4-(cyclopropylmethoxy)-6-oxidanylidene-pyran-2-yl]butyl]-4-methyl-2-[(E)-C-methyl-N-oxidanyl-carbonimidoyl]-5H-1,3-thiazole-4-carboxamide, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ...
Authors:Oliva, M.A, Diaz, J.F, Cuevas, C.
Deposit date:2022-05-25
Release date:2023-11-29
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Structure of T2R-TTL-PM534 complex
To Be Published
4TV9
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BU of 4tv9 by Molmil
Tubulin-PM060184 complex
Descriptor: (1Z,4S,6Z)-1-[(N-{(2Z,4Z,6E,8S)-8-[(2S)-5-methoxy-6-oxo-3,6-dihydro-2H-pyran-2-yl]-6-methylnona-2,4,6-trienoyl}-3-methy l-L-valyl)amino]octa-1,6-dien-4-yl carbamate, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ...
Authors:Prota, A.E, Bargsten, K, Diaz, J.F, Marsh, M, Cuevas, C, Liniger, M, Neuhaus, C, Andreu, J.M, Altmann, K.H, Steinmetz, M.O.
Deposit date:2014-06-26
Release date:2014-08-20
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:A new tubulin-binding site and pharmacophore for microtubule-destabilizing anticancer drugs.
Proc.Natl.Acad.Sci.USA, 111, 2014
6QTN
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BU of 6qtn by Molmil
Tubulin-cyclostreptin complex
Descriptor: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ...
Authors:Balaguer, F.d.A, Muehlethaler, T, Estevez-Gallego, J, Calvo, E, Gimenez-Abian, J.F, Risinger, A.L, Sorensen, E.J, Vanderwal, C.D, Altmann, K.-H, Mooberry, S.L, Steinmetz, M.O, Oliva, M.A, Prota, A.E, Diaz, J.F.
Deposit date:2019-02-25
Release date:2019-04-03
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal Structure of the Cyclostreptin-Tubulin Adduct: Implications for Tubulin Activation by Taxane-Site Ligands.
Int J Mol Sci, 20, 2019
4TUY
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BU of 4tuy by Molmil
Tubulin-Rhizoxin complex
Descriptor: (1R,2R,3E,5R,7R,8S,10S,13E,16R)-8-hydroxy-10-[(2S,3R,4E,6E,8E)-3-methoxy-4,8-dimethyl-9-(2-methyl-1,3-oxazol-4-yl)nona-4,6,8-trien-2-yl]-2,7-dimethyl-6,11,19-trioxatricyclo[14.3.1.0~5,7~]icosa-3,13-diene-12,18-dione, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ...
Authors:Prota, A.E, Bargsten, K, Diaz, J.F, Marsh, M, Cuevas, C, Liniger, M, Neuhaus, C, Andreu, J.M, Altmann, K.H, Steinmetz, M.O.
Deposit date:2014-06-25
Release date:2014-08-27
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:A new tubulin-binding site and pharmacophore for microtubule-destabilizing anticancer drugs.
Proc.Natl.Acad.Sci.USA, 111, 2014
4TV8
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BU of 4tv8 by Molmil
Tubulin-Maytansine complex
Descriptor: (3beta,4beta,5beta,10beta,11E,13E)-maytansine, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ...
Authors:Prota, A.E, Bargsten, K, Diaz, J.F, Marsh, M, Cuevas, C, Liniger, M, Neuhaus, C, Andreu, J.M, Altmann, K.H, Steinmetz, M.O.
Deposit date:2014-06-26
Release date:2014-08-27
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.103 Å)
Cite:A new tubulin-binding site and pharmacophore for microtubule-destabilizing anticancer drugs.
Proc.Natl.Acad.Sci.USA, 111, 2014
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
8BDG
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BU of 8bdg by Molmil
Tubulin-taxane-2b complex
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Prota, A.E, Lucena-Agell, D, Ma, Y, Estevez-Gallego, J, Li, S, Bargsten, K, Altmann, K.H, Gaillard, N, Kamimura, S, Muehlethaler, T, Gago, F, Oliva, M.A, Steinmetz, M.O, Fang, W.S, Diaz, J.F.
Deposit date:2022-10-19
Release date:2023-03-22
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Structural insight into the stabilization of microtubules by taxanes.
Elife, 12, 2023
8BDE
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BU of 8bde by Molmil
Tubulin-baccatin III complex
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Prota, A.E, Lucena-Agell, D, Ma, Y, Estevez-Gallego, J, Li, S, Bargsten, K, Altmann, K.H, Gaillard, N, Kamimura, S, Muehlethaler, T, Gago, F, Oliva, M.A, Steinmetz, M.O, Fang, W.S, Diaz, J.F.
Deposit date:2022-10-19
Release date:2023-03-22
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.902 Å)
Cite:Structural insight into the stabilization of microtubules by taxanes.
Elife, 12, 2023
8BDF
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BU of 8bdf by Molmil
Tubulin-taxane-2a complex
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Prota, A.E, Lucena-Agell, D, Ma, Y, Estevez-Gallego, J, Li, S, Bargsten, K, Altmann, K.H, Gaillard, N, Kamimura, S, Muehlethaler, T, Gago, F, Oliva, M.A, Steinmetz, M.O, Fang, W.S, Diaz, J.F.
Deposit date:2022-10-19
Release date:2023-03-22
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structural insight into the stabilization of microtubules by taxanes.
Elife, 12, 2023
8B7C
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BU of 8b7c by Molmil
Tubulin-maytansinoid-12 complex
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Boiarska, Z, Perez-Pena, H, Abel, A.-C, Marzullo, P, Alvarez-Bernad, B, Bonato, F, Santini, B, Horvath, D, Lucena-Agell, D, Vasile, F, Sironi, M, Diaz, J.F, Steinmetz, M.O, Prota, A.E, Pieraccini, S, Passarella, D.
Deposit date:2022-09-29
Release date:2023-08-23
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Maytansinol Functionalization: Towards Useful Probes for Studying Microtubule Dynamics.
Chemistry, 29, 2023
8B7B
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BU of 8b7b by Molmil
Tubulin - maytansinoid - 6 complex
Descriptor: (~{Z})-11-[[(1~{R},2~{R},3~{S},5~{S},6~{S},16~{E},18~{E},20~{R},21~{S})-11-chloranyl-12,20-dimethoxy-2,5,9,16-tetramethyl-21-oxidanyl-8,23-bis(oxidanylidene)-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1^{10,14}.0^{3,5}]hexacosa-10(26),11,13,16,18-pentaen-6-yl]oxy]-11-oxidanylidene-undec-2-enoic acid, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ...
Authors:Boiarska, Z, Perez-Pena, H, Abel, A.-C, Marzullo, P, Alvarez-Bernad, B, Bonato, F, Santini, B, Horvath, D, Lucena-Agell, D, Vasile, F, Sironi, M, Diaz, J.F, Steinmetz, M.O, Prota, A.E, Pieraccini, S, Passarella, D.
Deposit date:2022-09-29
Release date:2023-08-23
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Maytansinol Functionalization: Towards Useful Probes for Studying Microtubule Dynamics.
Chemistry, 29, 2023
6S9E
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BU of 6s9e by Molmil
Tubulin-GDP.AlF complex
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ALUMINUM FLUORIDE, CALCIUM ION, ...
Authors:Oliva, M.A, Estevez-Gallego, J, Diaz, J.F, Prota, A.E, Steinmetz, M.O, Balaguer, F.A, Lucena-Agell, D.
Deposit date:2019-07-12
Release date:2020-02-19
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Structural model for differential cap maturation at growing microtubule ends.
Elife, 9, 2020
6GJ4
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BU of 6gj4 by Molmil
Tubulin-6j complex
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 5-(quinolin-5-yl)naphtho[2,3-b]pyrrolo[1,2-d][1,4]oxazepin-4-yl acetate, CALCIUM ION, ...
Authors:Brindisi, M, Ulivieri, C, Alfano, G, Gemma, S, Balaguer, F.d.A, Khan, T, Grillo, A, Chemi, G, Menchon, G, Prota, A.E, Olieric, N, Agell, D.L, Barasoain, I, Diaz, J.F, Nebbioso, A, Conte, M.R, Lopresti, L, Magnano, S, Amet, R, Kinsella, P, Zisterer, D.M, Ibrahim, O, O'Sullivan, J, Morbidelli, L, Spaccapelo, R, Baldari, C, Butini, S, Novellino, E, Campiani, G, Altucci, L, Steinmetz, M.O, Brogi, S.
Deposit date:2018-05-16
Release date:2018-12-05
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure-activity relationships, biological evaluation and structural studies of novel pyrrolonaphthoxazepines as antitumor agents.
Eur J Med Chem, 162, 2018
6GZE
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BU of 6gze by Molmil
Tubulin-GDP.BeF complex
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, BERYLLIUM TRIFLUORIDE ION, CALCIUM ION, ...
Authors:Oliva, M.A, Diaz, J.F.
Deposit date:2018-07-04
Release date:2020-01-22
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:Structural model for differential cap maturation at growing microtubule ends.
Elife, 9, 2020
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
5LA6
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BU of 5la6 by Molmil
Tubulin-pironetin complex
Descriptor: CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, ...
Authors:Prota, A.E, Setter, J, Waight, A.B, Bargsten, K, Murga, J, Diaz, J.F, Steinmetz, M.O.
Deposit date:2016-06-13
Release date:2016-07-20
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Pironetin Binds Covalently to alpha Cys316 and Perturbs a Major Loop and Helix of alpha-Tubulin to Inhibit Microtubule Formation.
J.Mol.Biol., 428, 2016
5MF4
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BU of 5mf4 by Molmil
Tubulin-Dictyostatin complex
Descriptor: (3~{Z},5~{E},7~{R},8~{S},10~{S},11~{Z},13~{S},14~{R},15~{S},17~{S},20~{R},21~{S},22~{S})-22-[(2~{S},3~{Z})-hexa-3,5-dien-2-yl]-7,13,15,17,21-pentamethyl-8,10,14,20-tetrakis(oxidanyl)-1-oxacyclodocosa-3,5,11-trien-2-one, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ...
Authors:Trigili, C, Barasoain, I, Sanchez-Murcia, P.A, Bargsten, K, Redondo-Horcajo, M, Nogales, A, Gardner, N.M, Meyer, A, Naylor, G.J, Gomez-Rubio, E, Gago, F, Steinmetz, M.O, Paterson, I, Prota, A.E, Diaz, J.F.
Deposit date:2016-11-17
Release date:2017-09-20
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural Determinants of the Dictyostatin Chemotype for Tubulin Binding Affinity and Antitumor Activity Against Taxane- and Epothilone-Resistant Cancer Cells.
ACS Omega, 1, 2016
5NFZ
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BU of 5nfz by Molmil
TUBULIN-MTC complex
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-methoxy-5-(2,3,4-trimethoxyphenyl)cyclohepta-2,4,6-trien-1-one, CALCIUM ION, ...
Authors:Field, J.J, Pera, B, Estevez Gallego, J, Calvo, E, Rodriguez-Salarichs, J, Saez-Calvo, G, Zuwerra, D, Jordi, M, Prota, A.E, Menchon, G, Miller, J.H, Altmann, K.-H, Diaz, J.F.
Deposit date:2017-03-16
Release date:2017-10-25
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Zampanolide Binding to Tubulin Indicates Cross-Talk of Taxane Site with Colchicine and Nucleotide Sites.
J. Nat. Prod., 81, 2018
5NJH
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BU of 5njh by Molmil
Triazolopyrimidines stabilize microtubules by binding to the vinca inhibitor site of tubulin
Descriptor: 5-chloranyl-7-[(1~{R},5~{S})-3-methoxy-8-azabicyclo[3.2.1]octan-8-yl]-6-[2,4,6-tris(fluoranyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine, GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, ...
Authors:Sharma, A, Calvo, G.S, Prota, A.E, Diaz, J.F, Steinmetz, M.O.
Deposit date:2017-03-28
Release date:2017-06-21
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.394 Å)
Cite:Triazolopyrimidines Are Microtubule-Stabilizing Agents that Bind the Vinca Inhibitor Site of Tubulin.
Cell Chem Biol, 24, 2017

 

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