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6YOZ
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BU of 6yoz by Molmil
HiCel7B labelled with b-1,4-glucosyl cyclophellitol
分子名称: (1R,2S,3S,4S,5R,6R)-6-(HYDROXYMETHYL)CYCLOHEXANE-1,2,3,4,5-PENTOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETAMIDE, ...
著者McGregor, N.G.S, Davies, G.J.
登録日2020-04-15
公開日2020-09-16
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Glycosylated cyclophellitol-derived activity-based probes and inhibitors for cellulases.
Rsc Chem Biol, 1, 2020
8ERA
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BU of 8era by Molmil
RMC-5552 in complex with mTORC1 and FKBP12
分子名称: (3S,5R,6R,7E,9R,10R,12R,14S,15E,17E,19E,21S,23S,26R,27R,30R,34aS)-5,9,27-trihydroxy-3-{(2R)-1-[(1S,3R,4R)-4-hydroxy-3-methoxycyclohexyl]propan-2-yl}-10,21-dimethoxy-6,8,12,14,20,26-hexamethyl-5,6,9,10,12,13,14,21,22,23,24,25,26,27,32,33,34,34a-octadecahydro-3H-23,27-epoxypyrido[2,1-c][1,4]oxazacyclohentriacontine-1,11,28,29(4H,31H)-tetrone, 1-[6-{[(3M)-4-amino-3-(2-amino-1,3-benzoxazol-5-yl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]methyl}-3,4-dihydroisoquinolin-2(1H)-yl]-3-hydroxypropan-1-one, Peptidyl-prolyl cis-trans isomerase FKBP1A, ...
著者Tomlinson, A.C.A, Yano, J.K.
登録日2022-10-11
公開日2022-12-28
最終更新日2024-06-19
実験手法ELECTRON MICROSCOPY (2.86 Å)
主引用文献Discovery of RMC-5552, a Selective Bi-Steric Inhibitor of mTORC1, for the Treatment of mTORC1-Activated Tumors.
J.Med.Chem., 66, 2023
8TJL
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BU of 8tjl by Molmil
EGFR kinase in complex with pyrazolopyrimidine covalent inhibitor
分子名称: 1-{3-[(4-amino-1-tert-butyl-1H-pyrazolo[3,4-d]pyrimidin-3-yl)oxy]azetidin-1-yl}propan-1-one, Epidermal growth factor receptor
著者Beyett, T.S, Eck, M.J.
登録日2023-07-22
公開日2024-02-14
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献ZNL0325, a Pyrazolopyrimidine-Based Covalent Probe, Demonstrates an Alternative Binding Mode for Kinases.
J.Med.Chem., 67, 2024
5ZBZ
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BU of 5zbz by Molmil
Crystal structure of the DEAD domain of Human eIF4A with sanguinarine
分子名称: 13-methyl[1,3]benzodioxolo[5,6-c][1,3]dioxolo[4,5-i]phenanthridin-13-ium, Eukaryotic initiation factor 4A-I, MALONATE ION
著者Ding, Y, Ding, L.
登録日2018-02-14
公開日2019-02-20
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.30860257 Å)
主引用文献Targeting the N Terminus of eIF4AI for Inhibition of Its Catalytic Recycling.
Cell Chem Biol, 26, 2019
8EEQ
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BU of 8eeq by Molmil
CryoEM structures of bAE1 captured in multiple states.
分子名称: Anion exchange protein
著者Zhekova, H.R, Wang, W.G, Jiang, J.S, Tsirulnikov, K, Muhammad-Khan, G.H, Azimov, R, Abuladze, N, Kao, L, Newman, D, Noskov, S.Y, Tieleman, P, Zhou, Z.H, Pushkin, A, Kurtz, I.
登録日2022-09-07
公開日2023-01-25
最終更新日2024-06-19
実験手法ELECTRON MICROSCOPY (6.3 Å)
主引用文献CryoEM structures of anion exchanger 1 capture multiple states of inward- and outward-facing conformations.
Commun Biol, 5, 2022
5GPP
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BU of 5gpp by Molmil
Crystal structure of zebrafish ASC PYD domain
分子名称: ACETATE ION, Maltose-binding periplasmic protein,Apoptosis-associated speck-like protein containing a CARD, SULFATE ION, ...
著者Jin, T, Li, Y.
登録日2016-08-04
公開日2017-08-09
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Functional and structural characterization of zebrafish ASC.
FEBS J., 285, 2018
8D9N
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BU of 8d9n by Molmil
CryoEM structures of bAE1 captured in multiple states.
分子名称: Anion exchange protein
著者Zhekova, H.R, Wang, W.G, Jiang, J.S, Tsirulnikov, K, Muhammad-Khan, G.H, Azimov, R, Abuladze, N, Kao, L, Newman, D, Noskov, S.Y, Tieleman, P, Zhou, Z.H, Pushkin, A, Kurtz, I.
登録日2022-06-10
公開日2023-01-25
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (4.4 Å)
主引用文献CryoEM structures of anion exchanger 1 capture multiple states of inward- and outward-facing conformations.
Commun Biol, 5, 2022
5GPQ
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BU of 5gpq by Molmil
Crystal Structure of zebrafish ASC CARD Domain
分子名称: CITRIC ACID, Maltose-binding periplasmic protein,Apoptosis-associated speck-like protein containing a CARD, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose
著者Jin, T, Li, Y.
登録日2016-08-04
公開日2017-08-09
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Functional and structural characterization of zebrafish ASC.
FEBS J., 285, 2018
8E34
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BU of 8e34 by Molmil
CryoEM structures of bAE1 captured in multiple states
分子名称: Anion exchange protein
著者Zhekova, H.R, Wang, W.G, Jiang, J.S, Tsirulnikov, K, Muhammad-Khan, G.H, Azimov, R, Abuladze, N, Kao, L, Newman, D, Noskov, S.Y, Tieleman, P, Zhou, Z.H, Pushkin, A, Kurtz, I.
登録日2022-08-16
公開日2023-01-25
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (6 Å)
主引用文献CryoEM structures of anion exchanger 1 capture multiple states of inward- and outward-facing conformations.
Commun Biol, 5, 2022
4M6B
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BU of 4m6b by Molmil
Crystal structure of yeast Swr1-Z domain in complex with H2A.Z-H2B dimer
分子名称: Chimera protein of Histone H2B.1 and Histone H2A.Z, Helicase SWR1
著者Hong, J.J, Feng, H.Q, Wang, F, Ranjan, A, Chen, J.H, Jiang, J.S, Girlando, R, Xiao, T.S, Wu, C, Bai, Y.W.
登録日2013-08-09
公開日2014-02-19
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献The Catalytic Subunit of the SWR1 Remodeler Is a Histone Chaperone for the H2A.Z-H2B Dimer.
Mol.Cell, 53, 2014
5JQG
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BU of 5jqg by Molmil
An apo tubulin-RB-TTL complex structure used for side-by-side comparison
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, CHLORIDE ION, ...
著者Wang, Y.X, Naismith, J.H, Zhu, X.
登録日2016-05-04
公開日2016-05-18
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.24 Å)
主引用文献Pironetin reacts covalently with cysteine-316 of alpha-tubulin to destabilize microtubule
Nat Commun, 7, 2016
5KDH
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BU of 5kdh by Molmil
CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX WITH A DIHYDROPYRIDOPYRIMIDINE SCAFFOLD INHIBITOR
分子名称: (5~{S})-1-ethyl-5-(4-methylphenyl)-8,9-dihydro-5~{H}-furo[3,4]pyrido[3,5-~{b}]pyrimidine-2,4,6-trione, 1,2-ETHANEDIOL, Bromodomain-containing protein 4, ...
著者Zhu, J.-Y, Schonbrunn, E.
登録日2016-06-08
公開日2017-08-02
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献BET Bromodomain Inhibitors with One-Step Synthesis Discovered from Virtual Screen.
J. Med. Chem., 60, 2017
3TWH
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BU of 3twh by Molmil
Selenium Derivatized RNA/DNA Hybrid in complex with RNase H Catalytic Domain D132N Mutant
分子名称: DNA (5'-D(*AP*TP*(SDG)P*TP*CP*(SDG))-3'), MAGNESIUM ION, PHOSPHATE ION, ...
著者Rob, A, Gerlits, O, Jiang, J.S, Gan, J.H, Huang, Z.
登録日2011-09-21
公開日2012-10-03
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Novel complex MAD phasing and RNase H structural insights using selenium oligonucleotides.
Acta Crystallogr.,Sect.D, 70, 2014
4Q5J
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BU of 4q5j by Molmil
Crystal structure of SeMet derivative BRI1 in complex with BKI1
分子名称: BRI1 kinase inhibitor 1, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Protein BRASSINOSTEROID INSENSITIVE 1
著者Wang, J, Wang, J, Chen, L, Wu, J.W, Wang, Z.X.
登録日2014-04-17
公開日2014-10-29
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.772 Å)
主引用文献Structural insights into the negative regulation of BRI1 signaling by BRI1-interacting protein BKI1.
Cell Res., 24, 2014
4OH4
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BU of 4oh4 by Molmil
Crystal structure of BRI1 in complex with BKI1
分子名称: BRI1 kinase inhibitor 1, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Protein BRASSINOSTEROID INSENSITIVE 1
著者Wang, J, Wang, J, Wu, J.W, Wang, Z.X.
登録日2014-01-17
公開日2014-10-29
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Structural insights into the negative regulation of BRI1 signaling by BRI1-interacting protein BKI1.
Cell Res., 24, 2014
5FNV
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BU of 5fnv by Molmil
a new complex structure of tubulin with an alpha-beta unsaturated lactone
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, ...
著者Wang, Y, Naismith, J, Zhu, X.
登録日2015-11-16
公開日2016-05-18
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.61 Å)
主引用文献Pironetin Reacts Covalently with Cysteine-316 of Alpha-Tubulin to Destabilize Microtubule.
Nat.Commun., 7, 2016
6INH
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BU of 6inh by Molmil
A glycosyltransferase with UDP and the substrate
分子名称: 1-O-[(8alpha,9beta,10alpha,13alpha)-13-(beta-D-glucopyranosyloxy)-18-oxokaur-16-en-18-yl]-beta-D-glucopyranose, GLYCEROL, UDP-glycosyltransferase 76G1, ...
著者Zhu, X.
登録日2018-10-25
公開日2019-07-31
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Hydrophobic recognition allows the glycosyltransferase UGT76G1 to catalyze its substrate in two orientations.
Nat Commun, 10, 2019
6INI
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BU of 6ini by Molmil
a glycosyltransferase complex with UDP and the product
分子名称: (8alpha,9beta,10alpha,13alpha)-13-{[beta-D-glucopyranosyl-(1->2)-[beta-D-glucopyranosyl-(1->3)]-beta-D-glucopyranosyl]oxy}kaur-16-en-18-oic acid, 1-O-[(8alpha,9beta,10alpha,13alpha)-13-(beta-D-glucopyranosyloxy)-18-oxokaur-16-en-18-yl]-beta-D-glucopyranose, GLYCEROL, ...
著者Zhu, X, Yang, T, Naismith, J.H.
登録日2018-10-25
公開日2019-07-31
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Hydrophobic recognition allows the glycosyltransferase UGT76G1 to catalyze its substrate in two orientations.
Nat Commun, 10, 2019
6ING
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BU of 6ing by Molmil
A complex structure of H25A mutant of glycosyltransferase with UDP
分子名称: GLYCEROL, UDP-glycosyltransferase 76G1, URIDINE-5'-DIPHOSPHATE
著者Zhu, X, Naismith, J.H.
登録日2018-10-25
公開日2019-07-31
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.698 Å)
主引用文献Hydrophobic recognition allows the glycosyltransferase UGT76G1 to catalyze its substrate in two orientations.
Nat Commun, 10, 2019
3QE7
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BU of 3qe7 by Molmil
Crystal Structure of Uracil Transporter--UraA
分子名称: URACIL, Uracil permease, nonyl beta-D-glucopyranoside
著者Lu, F.R, Li, S, Yan, N.
登録日2011-01-20
公開日2011-03-23
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.781 Å)
主引用文献Structure and mechanism of the uracil transporter UraA
Nature, 472, 2011
6INF
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BU of 6inf by Molmil
a glycosyltransferase complex with UDP
分子名称: UDP-glycosyltransferase 76G1, URIDINE-5'-DIPHOSPHATE
著者Zhu, X, Yang, T, Naismith, J.H.
登録日2018-10-25
公開日2019-07-31
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献Hydrophobic recognition allows the glycosyltransferase UGT76G1 to catalyze its substrate in two orientations.
Nat Commun, 10, 2019
3UM2
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BU of 3um2 by Molmil
Crystal structure of the Brox Bro1 domain in complex with the C-terminal tail of CHMP5
分子名称: BRO1 domain-containing protein BROX, Charged multivesicular body protein 5, GLYCEROL
著者Jiang, J.S, Mu, R.L, Xiao, T.
登録日2011-11-12
公開日2012-04-18
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.589 Å)
主引用文献Two Distinct Binding Modes Define the Interaction of Brox with the C-Terminal Tails of CHMP5 and CHMP4B.
Structure, 20, 2012
3ULY
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BU of 3uly by Molmil
Crystal Structure of BROX Bro1 Domain in Complex with the C-Terminal Tails of CHMP5
分子名称: BRO1 domain-containing protein BROX, Charged multivesicular body protein 5, GLYCEROL
著者Jiang, J.S, Mu, R.L, Xiao, T.
登録日2011-11-11
公開日2012-04-18
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Two Distinct Binding Modes Define the Interaction of Brox with the C-Terminal Tails of CHMP5 and CHMP4B.
Structure, 20, 2012
3UM3
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BU of 3um3 by Molmil
Crystal structure of the Brox Bro1 domain in complex with the C-terminal tail of CHMP4B
分子名称: BRO1 domain-containing protein BROX, Charged multivesicular body protein 4b
著者Jiang, J.S, Mu, R.L, Xiao, T.
登録日2011-11-12
公開日2012-04-18
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (3.8 Å)
主引用文献Two Distinct Binding Modes Define the Interaction of Brox with the C-Terminal Tails of CHMP5 and CHMP4B.
Structure, 20, 2012
3UM0
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BU of 3um0 by Molmil
Crystal structure of the Brox Bro1 domain in complex with the C-terminal tail of CHMP5
分子名称: BRO1 domain-containing protein BROX, Charged multivesicular body protein 5, GLYCEROL
著者Jiang, J.S, Mu, R.L, Xiao, T.
登録日2011-11-11
公開日2012-04-18
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (3.102 Å)
主引用文献Two Distinct Binding Modes Define the Interaction of Brox with the C-Terminal Tails of CHMP5 and CHMP4B.
Structure, 20, 2012

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