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7QSN
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BU of 7qsn by Molmil
Bovine complex I in lipid nanodisc, Deactive-apo
分子名称: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, Acyl carrier protein, ...
著者Chung, I, Bridges, H.R, Hirst, J.
登録日2022-01-13
公開日2022-05-25
最終更新日2022-09-28
実験手法ELECTRON MICROSCOPY (2.81 Å)
主引用文献Cryo-EM structures define ubiquinone-10 binding to mitochondrial complex I and conformational transitions accompanying Q-site occupancy.
Nat Commun, 13, 2022
7QSL
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BU of 7qsl by Molmil
Bovine complex I in lipid nanodisc, Active-apo
分子名称: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, Acyl carrier protein, ...
著者Chung, I, Bridges, H.R, Hirst, J.
登録日2022-01-13
公開日2022-05-25
最終更新日2022-09-28
実験手法ELECTRON MICROSCOPY (2.76 Å)
主引用文献Cryo-EM structures define ubiquinone-10 binding to mitochondrial complex I and conformational transitions accompanying Q-site occupancy.
Nat Commun, 13, 2022
7QSK
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BU of 7qsk by Molmil
Bovine complex I in lipid nanodisc, Active-Q10
分子名称: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, Acyl carrier protein, ...
著者Chung, I, Bridges, H.R, Hirst, J.
登録日2022-01-13
公開日2022-05-25
最終更新日2022-09-28
実験手法ELECTRON MICROSCOPY (2.84 Å)
主引用文献Cryo-EM structures define ubiquinone-10 binding to mitochondrial complex I and conformational transitions accompanying Q-site occupancy.
Nat Commun, 13, 2022
7QSO
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BU of 7qso by Molmil
Bovine complex I in lipid nanodisc, State 3 (Slack)
分子名称: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, Acyl carrier protein, ...
著者Chung, I, Bridges, H.R, Hirst, J.
登録日2022-01-13
公開日2022-05-25
最終更新日2022-09-28
実験手法ELECTRON MICROSCOPY (3.02 Å)
主引用文献Cryo-EM structures define ubiquinone-10 binding to mitochondrial complex I and conformational transitions accompanying Q-site occupancy.
Nat Commun, 13, 2022
5YLZ
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BU of 5ylz by Molmil
Cryo-EM Structure of the Post-catalytic Spliceosome from Saccharomyces cerevisiae at 3.6 angstrom
分子名称: GUANOSINE-5'-TRIPHOSPHATE, INOSITOL HEXAKISPHOSPHATE, MAGNESIUM ION, ...
著者Wan, R, Yan, C, Bai, R, Lei, J, Shi, Y.
登録日2017-10-20
公開日2018-07-18
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Structure of the Post-catalytic Spliceosome from Saccharomyces cerevisiae
Cell, 171, 2017
7BL1
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BU of 7bl1 by Molmil
human complex II-BATS bound to membrane-attached Rab5a-GTP
分子名称: Beclin-1, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
著者Tremel, S, Morado, D.R, Kovtun, O, Williams, R.L, Briggs, J.A.G, Munro, S, Ohashi, Y, Bertram, J, Perisic, O.
登録日2021-01-17
公開日2021-03-03
最終更新日2024-05-01
実験手法ELECTRON MICROSCOPY (9.8 Å)
主引用文献Structural basis for VPS34 kinase activation by Rab1 and Rab5 on membranes.
Nat Commun, 12, 2021
4J1R
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BU of 4j1r by Molmil
Crystal Structure of GSK3b in complex with inhibitor 15R
分子名称: (2R)-2-(1H-indol-3-ylmethyl)-1,4-dihydropyrido[2,3-b]pyrazin-3(2H)-one, Glycogen synthase kinase-3 beta, PHOSPHATE ION, ...
著者Zhan, C, Wang, Y, Wach, J, Sheehan, P, Zhong, C, Harris, R, Patskovsky, Y, Bishop, J, Haggarty, S, Ramek, A, Berry, K, O'Herin, C, Koehler, A.N, Hung, A.W, Young, D.W, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC)
登録日2013-02-01
公開日2013-03-20
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.702 Å)
主引用文献Fragment-based approach using diversity-oriented synthesis yields a GSK3b inhibitor
To be Published
5HLP
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BU of 5hlp by Molmil
X-RAY CRYSTAL STRUCTURE OF GSK3B IN COMPLEX WITH BRD3937
分子名称: 4-(2-methoxyphenyl)-3,7,7-trimethyl-1,6,7,8-tetrahydro-5H-pyrazolo[3,4-b]quinolin-5-one, Glycogen synthase kinase-3 beta
著者White, A, Lakshminarasimhan, D, Nadupalli, A, Suto, R.K.
登録日2016-01-15
公開日2016-05-25
最終更新日2016-07-27
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Inhibitors of Glycogen Synthase Kinase 3 with Exquisite Kinome-Wide Selectivity and Their Functional Effects.
Acs Chem.Biol., 11, 2016
4J71
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BU of 4j71 by Molmil
Crystal Structure of GSK3b in complex with inhibitor 1R
分子名称: (2R)-2-methyl-1,4-dihydropyrido[2,3-b]pyrazin-3(2H)-one, CHLORIDE ION, Glycogen synthase kinase-3 beta, ...
著者Zhan, C, Wang, Y, Wach, J, Sheehan, P, Zhong, C, Harris, R, Patskovsky, Y, Bishop, J, Haggarty, S, Ramek, A, Berry, K, O'Herin, C, Koehler, A.N, Hung, A.W, Young, D.W, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC)
登録日2013-02-12
公開日2013-03-20
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.31 Å)
主引用文献Fragment-based approach using diversity-oriented synthesis yields a GSK3b inhibitor
To be Published
4JQI
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BU of 4jqi by Molmil
Structure of active beta-arrestin1 bound to a G protein-coupled receptor phosphopeptide
分子名称: 1,2-ETHANEDIOL, Beta-arrestin-1, CHLORIDE ION, ...
著者Shukla, A.K, Manglik, A, Kruse, A.C, Xiao, K, Reis, R.I, Tseng, W.C, Staus, D.P, Hilger, D, Uysal, S, Huang, L.H, Paduch, M, Shukla, P.T, Koide, A, Koide, S, Weis, W.I, Kossiakoff, A.A, Kobilka, B.K, Lefkowitz, R.J.
登録日2013-03-20
公開日2013-04-17
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structure of active beta-arrestin-1 bound to a G-protein-coupled receptor phosphopeptide.
Nature, 497, 2013
6U1N
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BU of 6u1n by Molmil
GPCR-Beta arrestin structure in lipid bilayer
分子名称: 3-amino-5-chloro-N-cyclopropyl-4-methyl-6-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]thieno[2,3-b]pyridine-2-carboxamide, Beta-arrestin-1, Fab30 heavy chain, ...
著者Staus, D.P, Hu, H, Robertson, M.J, Kleinhenz, A.L.W, Wingler, L.M, Capel, W.D, Latorraca, N.R, Lefkowitz, R.J, Skiniotis, G.
登録日2019-08-16
公開日2020-02-26
最終更新日2020-03-25
実験手法ELECTRON MICROSCOPY (4 Å)
主引用文献Structure of the M2 muscarinic receptor-beta-arrestin complex in a lipid nanodisc.
Nature, 579, 2020
1WXI
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BU of 1wxi by Molmil
E.coli NAD Synthetase, AMP.PP
分子名称: ADENOSINE MONOPHOSPHATE, DIPHOSPHATE, MAGNESIUM ION, ...
著者Jauch, R, Humm, A, Huber, R, Wahl, M.C.
登録日2005-01-23
公開日2005-02-15
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structures of Escherichia coli NAD Synthetase with Substrates and Products Reveal Mechanistic Rearrangements
J.Biol.Chem., 280, 2005
1WXG
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BU of 1wxg by Molmil
E.coli NAD Synthetase, DND
分子名称: MAGNESIUM ION, NH(3)-dependent NAD(+) synthetase, NICOTINIC ACID ADENINE DINUCLEOTIDE
著者Jauch, R, Humm, A, Huber, R, Wahl, M.C.
登録日2005-01-23
公開日2005-02-15
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structures of Escherichia coli NAD Synthetase with Substrates and Products Reveal Mechanistic Rearrangements
J.Biol.Chem., 280, 2005
6ZTQ
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BU of 6ztq by Molmil
Cryo-EM structure of respiratory complex I from Mus musculus inhibited by piericidin A at 3.0 A
分子名称: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE, ADENOSINE-5'-TRIPHOSPHATE, ...
著者Bridges, H.R, Blaza, J.N, Agip, A.N.A, Hirst, J.
登録日2020-07-20
公開日2020-10-21
最終更新日2020-10-28
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Structure of inhibitor-bound mammalian complex I.
Nat Commun, 11, 2020
1WXH
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BU of 1wxh by Molmil
E.coli NAD Synthetase, NAD
分子名称: NH(3)-dependent NAD(+) synthetase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Jauch, R, Humm, A, Huber, R, Wahl, M.C.
登録日2005-01-23
公開日2005-02-15
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structures of Escherichia coli NAD Synthetase with Substrates and Products Reveal Mechanistic Rearrangements
J.Biol.Chem., 280, 2005
6S6A
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BU of 6s6a by Molmil
Crystal structure of RagA-Q66L/RagC-T90N GTPase heterodimer complex
分子名称: GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
著者Anandapadamanaban, M, Masson, G.R, Perisic, O, Kaufman, J, Williams, R.L.
登録日2019-07-02
公開日2019-10-16
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2.63 Å)
主引用文献Architecture of human Rag GTPase heterodimers and their complex with mTORC1.
Science, 366, 2019
5J31
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BU of 5j31 by Molmil
Crystal structure of 14-3-3zeta in complex with an alkyne cross-linked cyclic peptide derived from ExoS
分子名称: 14-3-3 protein zeta/delta, BENZOIC ACID, Exoenzyme S
著者Wallraven, K, Cromm, P, Bier, D, Glas, A, Grossmann, T.
登録日2016-03-30
公開日2016-10-19
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Constraining an Irregular Peptide Secondary Structure through Ring-Closing Alkyne Metathesis.
Chembiochem, 17, 2016
5T31
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BU of 5t31 by Molmil
Exploiting an Asp-Glu switch in Glycogen Synthase Kinase 3 to design paralog selective inhibitors for use in acute myeloid leukemia
分子名称: (4~{S})-4-ethyl-7,7-dimethyl-4-phenyl-2,6,8,9-tetrahydropyrazolo[3,4-b]quinolin-5-one, Glycogen synthase kinase-3 beta
著者Stein, A.J, Holson, E.B, Wagner, F.F, Cambell, A.J.
登録日2016-08-24
公開日2018-02-21
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Exploiting an Asp-Glu "switch" in glycogen synthase kinase 3 to design paralog-selective inhibitors for use in acute myeloid leukemia.
Sci Transl Med, 10, 2018
8OWR
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BU of 8owr by Molmil
Crystal structure of Mycobacterium smegmatis CoaB in complex with CTP and 2-(1-(3,4-dihydroxyphenyl)-5-(3-hydroxyphenyl)-1H-indol-3-yl)-2-oxoacetic acid
分子名称: 2-[1-[3,4-bis(oxidanyl)phenyl]-5-(3-hydroxyphenyl)indol-3-yl]-2-oxidanylidene-ethanoic acid, ACETATE ION, CALCIUM ION, ...
著者Mendes, V, Blundell, T.L.
登録日2023-04-28
公開日2024-05-08
実験手法X-RAY DIFFRACTION (2.439 Å)
主引用文献Development of new inhibitors against M. tuberculosis CoaBC using a fragment based approach.
To Be Published
6ZR2
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BU of 6zr2 by Molmil
Cryo-EM structure of respiratory complex I in the active state from Mus musculus at 3.1 A
分子名称: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE, ADENOSINE-5'-TRIPHOSPHATE, ...
著者Bridges, H.R, Blaza, J.N, Agip, A.N.A, Hirst, J.
登録日2020-07-10
公開日2020-10-21
最終更新日2020-10-28
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Structure of inhibitor-bound mammalian complex I.
Nat Commun, 11, 2020
8OW5
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BU of 8ow5 by Molmil
Crystal structure of Mycobacterium smegmatis CoaB in complex with CTP and 5-methoxy-1H-indole-2-carboxylic acid
分子名称: 5-methoxy-1H-indole-2-carboxylic acid, CALCIUM ION, CYTIDINE-5'-TRIPHOSPHATE, ...
著者Mendes, V, Blundell, T.L.
登録日2023-04-27
公開日2024-05-08
実験手法X-RAY DIFFRACTION (2.84 Å)
主引用文献Development of new inhibitors against M. tuberculosis CoaBC using a fragment based approach.
To Be Published
8OWB
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BU of 8owb by Molmil
Crystal structure of Mycobacterium smegmatis CoaB in complex with CTP and 2-(5-bromo-1-(4-hydroxyphenyl)-1H-indol-3-yl)-2-oxoacetic acid
分子名称: 2-[5-bromanyl-1-(4-hydroxyphenyl)indol-3-yl]-2-oxidanylidene-ethanoic acid, CALCIUM ION, CYTIDINE-5'-TRIPHOSPHATE, ...
著者Mendes, V, Blundell, T.L.
登録日2023-04-27
公開日2024-05-08
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Development of new inhibitors against M. tuberculosis CoaBC using a fragment based approach.
To Be Published
8OWQ
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BU of 8owq by Molmil
Crystal structure of Mycobacterium smegmatis CoaB in complex with CTP and 2-(1-(3,4-dihydroxyphenyl)-5-phenyl-1H-indol-3-yl)-2-oxoacetic acid
分子名称: 2-[1-[3,4-bis(oxidanyl)phenyl]-5-phenyl-indol-3-yl]-2-oxidanylidene-ethanoic acid, CALCIUM ION, CYTIDINE-5'-TRIPHOSPHATE, ...
著者Mendes, V, Blundell, T.L.
登録日2023-04-28
公開日2024-05-08
実験手法X-RAY DIFFRACTION (2.106 Å)
主引用文献Development of new inhibitors against M. tuberculosis CoaBC using a fragment based approach.
To Be Published
5HLN
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BU of 5hln by Molmil
X-RAY CRYSTAL STRUCTURE OF GSK3B IN COMPLEX WITH CHIR99021
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHIR99021, Glycogen synthase kinase-3 beta, ...
著者White, A, Lakshminarasimhan, D, Nadupalli, A, Suto, R.K.
登録日2016-01-15
公開日2016-05-25
最終更新日2016-07-27
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Inhibitors of Glycogen Synthase Kinase 3 with Exquisite Kinome-Wide Selectivity and Their Functional Effects.
Acs Chem.Biol., 11, 2016
7Y04
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BU of 7y04 by Molmil
Hsp90-AhR-p23 complex
分子名称: ADENOSINE-5'-DIPHOSPHATE, Aryl hydrocarbon receptor, BERYLLIUM TRIFLUORIDE ION, ...
著者Wen, Z.L, Zhai, Y.J, Zhu, Y, Sun, F.
登録日2022-06-03
公開日2023-01-04
最終更新日2024-07-03
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Cryo-EM structure of the cytosolic AhR complex.
Structure, 31, 2023

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