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8B7A
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BU of 8b7a by Molmil
Tubulin - maytansinoid - 4 complex
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, ...
著者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, F.J, Steinmetz, M.O, Prota, A.E, Piaraccini, S, Passarella, D.
登録日2022-09-29
公開日2023-08-23
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Maytansinol Functionalization: Towards Useful Probes for Studying Microtubule Dynamics.
Chemistry, 29, 2023
8B7C
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BU of 8b7c by Molmil
Tubulin-maytansinoid-12 complex
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, ...
著者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.
登録日2022-09-29
公開日2023-08-23
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献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
分子名称: (~{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, ...
著者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.
登録日2022-09-29
公開日2023-08-23
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Maytansinol Functionalization: Towards Useful Probes for Studying Microtubule Dynamics.
Chemistry, 29, 2023
5LP6
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BU of 5lp6 by Molmil
Crystal structure of Tubulin-Stathmin-TTL-Thiocolchicine Complex
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, CHLORIDE ION, ...
著者Marangon, J, Christodoulou, M, Casagrande, F, Tiana, G, Dalla Via, L, Aliverti, A, Passarella, D, Cappelletti, G, Ricagno, S.
登録日2016-08-11
公開日2016-09-21
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Tools for the rational design of bivalent microtubule-targeting drugs.
Biochem. Biophys. Res. Commun., 479, 2016
8EV1
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BU of 8ev1 by Molmil
Dual Modulators
分子名称: (3aR,4S,9bS)-4-(4-hydroxyphenyl)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[c]quinoline-8-sulfonamide, (3aS,4R,9bR)-4-(4-hydroxyphenyl)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[c]quinoline-8-sulfonamide, Estrogen Receptor, ...
著者Tinivella, A, Nwachukwu, J.C, Angeli, A, Foschi, F, Benatti, A.L, Pinzi, L, Izard, T, Ferraroni, M, Rangarajan, E.S, Christodoulou, M, Passarella, D, Supuran, C, Nettles, K.W, Rastelli, G.
登録日2022-10-19
公開日2022-12-28
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Design, synthesis, biological evaluation and crystal structure determination of dual modulators of carbonic anhydrases and estrogen receptors.
Eur.J.Med.Chem., 246, 2022
8EV2
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BU of 8ev2 by Molmil
Dual Modulators
分子名称: (3aS,4R,9bR)-4-(2-chloro-4-hydroxyphenyl)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[c]quinoline-8-sulfonamide, (3~{a}~{R},4~{S},9~{b}~{S})-4-(2-chloranyl-4-oxidanyl-phenyl)-2,3,3~{a},4,5,9~{b}-hexahydro-1~{H}-cyclopenta[c]quinoline-8-sulfonamide, Estrogen receptor, ...
著者Tinivella, A, Nwachukwu, J.C, Angeli, A, Foschi, F, Benatti, A.L, Pinzi, L, Izard, T, Ferraroni, M, Rangarajan, E.S, Christodoulou, M, Passarella, D, Supuran, C, Nettles, K.W, Rastelli, G.
登録日2022-10-19
公開日2022-12-28
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Design, synthesis, biological evaluation and crystal structure determination of dual modulators of carbonic anhydrases and estrogen receptors.
Eur.J.Med.Chem., 246, 2022
5SB9
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BU of 5sb9 by Molmil
Tubulin-maytansinoid-4a-complex
分子名称: (1S,2R,3S,5S,6S,16E,18E,20R,21S)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-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 phenylacetate, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ...
著者Marzullo, P, Boiarska, Z, Perez-Pena, H, Abel, A.-C, Alvarez-Bernad, B, Lucena-Agell, D, Vasile, F, Sironi, M, Steinmetz, M.O, Prota, A.E, Diaz, J.F, Pieraccini, S, Passarella, D.
登録日2021-07-20
公開日2021-12-08
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Maytansinol Derivatives: Side Reactions as a Chance for New Tubulin Binders.
Chemistry, 28, 2022
5SB8
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Tubulin-maytansinoid-3-complex
分子名称: (1S,2R,3S,5S,6S,16E,18E,20R)-11-chloro-6-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1~10,14~.0~3,5~]hexacosa-10(26),11,13,16,18,21-hexaene-8,23-dione, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ...
著者Marzullo, P, Boiarska, Z, Perez-Pena, H, Abel, A.-C, Alvarez-Bernad, B, Lucena-Agell, D, Vasile, F, Sironi, M, Steinmetz, M.O, Prota, A.E, Diaz, J.F, Pieraccini, S, Passarella, D.
登録日2021-07-20
公開日2021-12-08
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Maytansinol Derivatives: Side Reactions as a Chance for New Tubulin Binders.
Chemistry, 28, 2022
5SBD
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BU of 5sbd by Molmil
Tubulin-maytansinoid-5b-complex
分子名称: (1S,2R,3S,5S,6S,16E,18E,20R)-11-chloro-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1~10,14~.0~3,5~]hexacosa-10(26),11,13,16,18,21(25)-hexaen-6-yl acetate, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ...
著者Marzullo, P, Boiarska, Z, Perez-Pena, H, Abel, A.-C, Alvarez-Bernad, B, Lucena-Agell, D, Vasile, F, Sironi, M, Steinmetz, M.O, Prota, A.E, Diaz, J.F, Pieraccini, S, Passarella, D.
登録日2021-07-20
公開日2021-12-08
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Maytansinol Derivatives: Side Reactions as a Chance for New Tubulin Binders.
Chemistry, 28, 2022
5SBA
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BU of 5sba by Molmil
Tubulin-maytansinoid-4b-complex
分子名称: (1S,2R,3S,5S,6S,16E,18E,20R,21S)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-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 acetate, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ...
著者Marzullo, P, Boiarska, Z, Perez-Pena, H, Abel, A.-C, Alvarez-Bernad, B, Lucena-Agell, D, Vasile, F, Sironi, M, Steinmetz, M.O, Prota, A.E, Diaz, J.F, Pieraccini, S, Passarella, D.
登録日2021-07-20
公開日2021-12-08
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Maytansinol Derivatives: Side Reactions as a Chance for New Tubulin Binders.
Chemistry, 28, 2022
5SBE
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BU of 5sbe by Molmil
Tubulin-maytansinoid-5c-complex
分子名称: (1S,2R,3S,5S,6S,16E,18E,20R)-11-chloro-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1~10,14~.0~3,5~]hexacosa-10(26),11,13,16,18,21-hexaen-6-yl hept-6-ynoate, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ...
著者Marzullo, P, Boiarska, Z, Perez-Pena, H, Abel, A.-C, Alvarez-Bernad, B, Lucena-Agell, D, Vasile, F, Sironi, M, Steinmetz, M.O, Prota, A.E, Diaz, J.F, Pieraccini, S, Passarella, D.
登録日2021-07-20
公開日2021-12-08
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Maytansinol Derivatives: Side Reactions as a Chance for New Tubulin Binders.
Chemistry, 28, 2022
5SBB
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BU of 5sbb by Molmil
Tubulin-maytansinoid-4c-complex
分子名称: (1R,2R,3S,5S,6S,16E,18E,20R,21S)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-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 heptanoate, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ...
著者Marzullo, P, Boiarska, Z, Perez-Pena, H, Abel, A.-C, Alvarez-Bernad, B, Lucena-Agell, D, Vasile, F, Sironi, M, Steinmetz, M.O, Prota, A.E, Diaz, J.F, Pieraccini, S, Passarella, D.
登録日2021-07-20
公開日2021-12-08
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Maytansinol Derivatives: Side Reactions as a Chance for New Tubulin Binders.
Chemistry, 28, 2022
5SBC
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BU of 5sbc by Molmil
Tubulin-maytansinoid-5a-complex
分子名称: (1S,2R,3S,5S,6S,16E,18E,20R)-11-chloro-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1~10,14~.0~3,5~]hexacosa-10(26),11,13,16,18,21-hexaen-6-yl phenylacetate, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ...
著者Marzullo, P, Boiarska, Z, Perez-Pena, H, Abel, A.-C, Alvarez-Bernad, B, Lucena-Agell, D, Vasile, F, Sironi, M, Steinmetz, M.O, Prota, A.E, Diaz, J.F, Pieraccini, S, Passarella, D.
登録日2021-07-20
公開日2021-12-08
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.32 Å)
主引用文献Maytansinol Derivatives: Side Reactions as a Chance for New Tubulin Binders.
Chemistry, 28, 2022
7B0Z
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BU of 7b0z by Molmil
Crystal Structure of human monoamine oxidase B in complex with (E)-3-phenyl-1-(4-(trifluoromethyl)phenyl)prop-2-en-1-one
分子名称: (E)-3-phenyl-1-(4-(trifluoromethyl)phenyl)prop-2-en-1-one, Amine oxidase [flavin-containing] B, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Iacovino, L.G, Binda, C.
登録日2020-11-23
公開日2021-11-03
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Promising Non-cytotoxic Monosubstituted Chalcones to Target Monoamine Oxidase-B.
Acs Med.Chem.Lett., 12, 2021
7B0V
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BU of 7b0v by Molmil
Crystal Structure of human monoamine oxidase B in complex with (E)-3-phenyl-1-(3-(trifluoromethyl)phenyl)prop-2-en-1-one
分子名称: (E)-3-phenyl-1-(3-(trifluoromethyl)phenyl)prop-2-en-1-one, Amine oxidase [flavin-containing] B, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Iacovino, L.G, Binda, C.
登録日2020-11-23
公開日2021-11-03
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Promising Non-cytotoxic Monosubstituted Chalcones to Target Monoamine Oxidase-B.
Acs Med.Chem.Lett., 12, 2021

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