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4TV9
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BU of 4tv9 by Molmil
Tubulin-PM060184 complex
分子名称: (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, ...
著者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.
登録日2014-06-26
公開日2014-08-20
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献A new tubulin-binding site and pharmacophore for microtubule-destabilizing anticancer drugs.
Proc.Natl.Acad.Sci.USA, 111, 2014
4TUY
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BU of 4tuy by Molmil
Tubulin-Rhizoxin complex
分子名称: (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, ...
著者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.
登録日2014-06-25
公開日2014-08-27
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献A new tubulin-binding site and pharmacophore for microtubule-destabilizing anticancer drugs.
Proc.Natl.Acad.Sci.USA, 111, 2014
4WBQ
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BU of 4wbq by Molmil
Crystal structure of the exonuclease domain of QIP (QDE-2 interacting protein) solved by native-SAD phasing.
分子名称: CALCIUM ION, QDE-2-interacting protein
著者Boland, A, Weinert, T, Weichenrieder, O, Wang, M.
登録日2014-09-03
公開日2014-12-10
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.693 Å)
主引用文献Fast native-SAD phasing for routine macromolecular structure determination.
Nat.Methods, 12, 2015
4WBX
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BU of 4wbx by Molmil
Conserved hypothetical protein PF1771 from Pyrococcus furiosus solved by sulfur SAD using Swiss Light Source data
分子名称: 2-keto acid:ferredoxin oxidoreductase subunit alpha
著者Weinert, T, Waltersperger, S, Olieric, V, Panepucci, E, Chen, L, Rose, J.P, Wang, M, Wang, B.C, Southeast Collaboratory for Structural Genomics (SECSG)
登録日2014-09-04
公開日2014-12-10
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.301 Å)
主引用文献Fast native-SAD phasing for routine macromolecular structure determination.
Nat.Methods, 12, 2015
6Y6D
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BU of 6y6d by Molmil
Tubulin-7-Aminonoscapine complex
分子名称: (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, ...
著者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.
登録日2020-02-26
公開日2020-07-22
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural Basis of Noscapine Activation for Tubulin Binding.
J.Med.Chem., 63, 2020
4WAU
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BU of 4wau by Molmil
Crystal structure of CENP-M solved by native-SAD phasing
分子名称: Centromere protein M
著者Weinert, T, Basilico, F, Cecatiello, V, Pasqualato, S, Wang, M.
登録日2014-09-01
公開日2014-12-10
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Fast native-SAD phasing for routine macromolecular structure determination.
Nat.Methods, 12, 2015
4WAB
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BU of 4wab by Molmil
Crystal structure of mPGES1 solved by native-SAD phasing
分子名称: 2-[[2,6-bis(chloranyl)-3-[(2,2-dimethylpropanoylamino)methyl]phenyl]amino]-1-methyl-6-(2-methyl-2-oxidanyl-propoxy)-N-[2,2,2-tris(fluoranyl)ethyl]benzimidazole-5-carboxamide, GLUTATHIONE, Prostaglandin E synthase,Leukotriene C4 synthase
著者Weinert, T, Li, D, Howe, N, Caffrey, M, Wang, M.
登録日2014-08-29
公開日2014-12-10
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.704 Å)
主引用文献Fast native-SAD phasing for routine macromolecular structure determination.
Nat.Methods, 12, 2015
4I4T
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BU of 4i4t by Molmil
Crystal structure of tubulin-RB3-TTL-Zampanolide complex
分子名称: (2Z,4E)-N-[(S)-[(1S,2E,5S,8E,10Z,17S)-3,11-dimethyl-19-methylidene-7,13-dioxo-6,21-dioxabicyclo[15.3.1]henicosa-2,8,10-trien-5-yl](hydroxy)methyl]hexa-2,4-dienamide, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ...
著者Prota, A.E, Steinmetz, M.O.
登録日2012-11-28
公開日2013-01-23
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Molecular Mechanism of Action of Microtubule-Stabilizing Anticancer Agents.
Science, 339, 2013
3TQ7
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BU of 3tq7 by Molmil
EB1c/EB3c heterodimer in complex with the CAP-Gly domain of P150glued
分子名称: Dynactin subunit 1, Microtubule-associated protein RP/EB family member 1, Microtubule-associated protein RP/EB family member 3
著者De Groot, C.O, Scharer, M.A, Capitani, G, Steinmetz, M.O.
登録日2011-09-09
公開日2012-01-25
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Interaction of mammalian end binding proteins with CAP-Gly domains of CLIP-170 and p150(glued).
J.Struct.Biol., 177, 2012
7ZO1
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BU of 7zo1 by Molmil
SpCas9 bound to CD34 off-target9 DNA substrate
分子名称: CD34 off-target9 DNA non-target strand, CD34 off-target9 DNA target strand, CD34 sgRNA, ...
著者Pacesa, M, Jinek, M.
登録日2022-04-23
公開日2022-10-26
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural basis for Cas9 off-target activity.
Cell, 185, 2022
7ZX2
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BU of 7zx2 by Molmil
Tubulin-Pelophen B complex
分子名称: (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, ...
著者Estevez-Gallego, J, Diaz, J.F, Van der Eycken, J, Oliva, M.A.
登録日2022-05-20
公開日2022-11-23
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Chemical modulation of microtubule structure through the laulimalide/peloruside site.
Structure, 31, 2023
8A0L
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BU of 8a0l by Molmil
Tubulin-CW1-complex
分子名称: (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, ...
著者Prota, A.E, Diaz, J.F, Steinmetz, M.O, Oliva, M.A.
登録日2022-05-28
公開日2022-12-14
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.9981 Å)
主引用文献Chemical modulation of microtubule structure through the laulimalide/peloruside site.
Structure, 31, 2023
5LXS
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BU of 5lxs by Molmil
Tubulin-KS-1-199-32 complex
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, ...
著者Prota, A.E, Steinmetz, M.O.
登録日2016-09-22
公開日2017-09-20
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural Basis of Microtubule Stabilization by Discodermolide.
Chembiochem, 18, 2017
5LYJ
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BU of 5lyj by Molmil
Tubulin-Combretastatin A4 complex
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, Combretastatin A4, ...
著者Gaspari, R, Prota, A.E, Cavalli, A, Steinmetz, M.O.
登録日2016-09-28
公開日2017-01-18
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.397 Å)
主引用文献Structural basis of cis- and trans-combretastatin binding to tubulin
Chem, 2017
5LXT
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BU of 5lxt by Molmil
Tubulin-Discodermolide complex
分子名称: (+)-Discodermolide, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ...
著者Prota, A.E, Steinmetz, M.O.
登録日2016-09-22
公開日2017-03-01
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural Basis of Microtubule Stabilization by Discodermolide.
Chembiochem, 18, 2017
5M7G
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BU of 5m7g by Molmil
Tubulin-MTD147 complex
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 5-(2,6-dimorpholin-4-ylpyridin-4-yl)-4-(trifluoromethyl)pyridin-2-amine, CALCIUM ION, ...
著者Bohnacker, T, Prota, A.E, Steinmetz, M.O, Wymann, M.P.
登録日2016-10-27
公開日2017-02-22
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.248 Å)
主引用文献Deconvolution of Buparlisib's mechanism of action defines specific PI3K and tubulin inhibitors for therapeutic intervention.
Nat Commun, 8, 2017
5M7E
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BU of 5m7e by Molmil
Tubulin-BKM120 complex
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 5-[2,6-di(morpholin-4-yl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine, CALCIUM ION, ...
著者Bohnacker, T, Prota, A.E, Steinmetz, M.O, Wymann, M.P.
登録日2016-10-27
公開日2017-02-22
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.046 Å)
主引用文献Deconvolution of Buparlisib's mechanism of action defines specific PI3K and tubulin inhibitors for therapeutic intervention.
Nat Commun, 8, 2017
5M8G
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BU of 5m8g by Molmil
Tubulin-MTD265 complex
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 5-(2-morpholin-4-yl-6-pyrrolidin-1-yl-pyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine, CALCIUM ION, ...
著者Bohnacker, T, Prota, A.E, Steinmetz, M.O, Wymann, M.P.
登録日2016-10-28
公開日2017-02-22
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.147 Å)
主引用文献Deconvolution of Buparlisib's mechanism of action defines specific PI3K and tubulin inhibitors for therapeutic intervention.
Nat Commun, 8, 2017
5M8D
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BU of 5m8d by Molmil
Tubulin MTD265-R1 complex
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 5-(6-morpholin-4-yl-2-pyrrolidin-1-yl-pyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine, CALCIUM ION, ...
著者Bohnacker, T, Prota, A.E, Steinmetz, M.O, Wymann, M.P.
登録日2016-10-28
公開日2017-03-22
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Deconvolution of Buparlisib's mechanism of action defines specific PI3K and tubulin inhibitors for therapeutic intervention.
Nat Commun, 8, 2017
5JHB
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BU of 5jhb by Molmil
Structure of Phosphoinositide 3-kinase gamma (PI3K) bound to the potent inhibitor PIKin3
分子名称: Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION, [1-{4-[6-amino-4-(trifluoromethyl)pyridin-3-yl]-6-(morpholin-4-yl)-1,3,5-triazin-2-yl}-3-(chloromethyl)azetidin-3-yl]methanol
著者Burke, J.E, Inglis, A.J, Williams, R.L.
登録日2016-04-20
公開日2017-03-15
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.48 Å)
主引用文献Deconvolution of Buparlisib's mechanism of action defines specific PI3K and tubulin inhibitors for therapeutic intervention.
Nat Commun, 8, 2017
5JHA
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BU of 5jha by Molmil
Structure of Phosphoinositide 3-kinase gamma (PI3K) bound to the potent inhibitor PIKin2
分子名称: Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION, [1-{4-[6-amino-4-(trifluoromethyl)pyridin-3-yl]-6-(morpholin-4-yl)pyrimidin-2-yl}-3-(chloromethyl)azetidin-3-yl]methanol
著者Burke, J.E, Inglis, A.J, Williams, R.L.
登録日2016-04-20
公開日2017-03-15
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.51 Å)
主引用文献Deconvolution of Buparlisib's mechanism of action defines specific PI3K and tubulin inhibitors for therapeutic intervention.
Nat Commun, 8, 2017
7QQS
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BU of 7qqs by Molmil
SpCas9 bound to FANCF on-target DNA substrate
分子名称: CRISPR-associated endonuclease Cas9/Csn1, FANCF on-target non-target strand, FANCF on-target target strand, ...
著者Pacesa, M, Jinek, M.
登録日2022-01-10
公開日2022-10-26
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural basis for Cas9 off-target activity.
Cell, 185, 2022
7QQQ
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BU of 7qqq by Molmil
SpCas9 bound to AAVS1 off-target4 DNA substrate
分子名称: 1,2-ETHANEDIOL, AAVS1 off-target4 non-target strand, AAVS1 off-target4 target strand, ...
著者Pacesa, M, Jinek, M.
登録日2022-01-10
公開日2022-10-26
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Structural basis for Cas9 off-target activity.
Cell, 185, 2022
7QQV
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BU of 7qqv by Molmil
SpCas9 bound to FANCF off-target3 DNA substrate
分子名称: CRISPR-associated endonuclease Cas9/Csn1, FANCF off-target3 non-target strand, FANCF off-target3 target strand, ...
著者Pacesa, M, Jinek, M.
登録日2022-01-10
公開日2022-10-26
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Structural basis for Cas9 off-target activity.
Cell, 185, 2022
7QR8
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BU of 7qr8 by Molmil
SpCas9 bound to PTPRC off-target1 DNA substrate
分子名称: CRISPR-associated endonuclease Cas9/Csn1, MAGNESIUM ION, POTASSIUM ION, ...
著者Pacesa, M, Jinek, M.
登録日2022-01-10
公開日2022-10-26
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Structural basis for Cas9 off-target activity.
Cell, 185, 2022

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