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5DP4
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BU of 5dp4 by Molmil
Crystal Structure of EV71 3C Proteinase in complex with compound 3
Descriptor: 3C proteinase, ethyl (2Z,4S)-4-{[(2S)-2-methyl-3-phenylpropanoyl]amino}-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate
Authors:Wu, C, Zhang, L, Li, P, Cai, Q, Peng, X, Li, N, Cai, Y, Li, J, Lin, T.
Deposit date:2015-09-12
Release date:2016-03-30
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Fragment-wise design of inhibitors to 3C proteinase from enterovirus 71
Biochim.Biophys.Acta, 1860, 2016
5DP6
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BU of 5dp6 by Molmil
Crystal Structure of EV71 3C Proteinase in complex with compound 7
Descriptor: 3C proteinase, ethyl (2Z,4S)-4-{[N-(3-cyclopropylpropanoyl)-L-phenylalanyl]amino}-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate
Authors:Wu, C, Zhang, L, Li, P, Cai, Q, Peng, X, Li, N, Cai, Y, Li, J, Lin, T.
Deposit date:2015-09-12
Release date:2016-03-30
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3.01 Å)
Cite:Fragment-wise design of inhibitors to 3C proteinase from enterovirus 71
Biochim.Biophys.Acta, 1860, 2016
5DP9
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BU of 5dp9 by Molmil
Crystal Structure of EV71 3C Proteinase in complex with compound 9
Descriptor: 3C proteinase, ethyl (2Z,4S)-4-[(N-{[(cyclobutylmethyl)amino](oxo)acetyl}-L-phenylalanyl)amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate
Authors:Wu, C, Zhang, L, Li, P, Cai, Q, Peng, X, Li, N, Cai, Y, Li, J, Lin, T.
Deposit date:2015-09-12
Release date:2016-03-30
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Fragment-wise design of inhibitors to 3C proteinase from enterovirus 71
Biochim.Biophys.Acta, 1860, 2016
5DP8
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BU of 5dp8 by Molmil
Crystal Structure of EV71 3C Proteinase in complex with compound 8
Descriptor: 3C proteinase, ethyl (2Z,4S)-4-[(N-{[(2-cyclopropylethyl)amino](oxo)acetyl}-L-phenylalanyl)amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate
Authors:Wu, C, Zhang, L, Li, P, Cai, Q, Peng, X, Li, N, Cai, Y, Li, J, Lin, T.
Deposit date:2015-09-12
Release date:2016-03-30
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Fragment-wise design of inhibitors to 3C proteinase from enterovirus 71
Biochim.Biophys.Acta, 1860, 2016
5DPA
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BU of 5dpa by Molmil
Crystal Structure of EV71 3C Proteinase in complex with compound 6
Descriptor: 3C proteinase, ethyl (2Z,4S)-4-[(N-acetyl-L-phenylalanyl)amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate
Authors:Wu, C, Zhang, L, Li, P, Cai, Q, Peng, X, Li, N, Cai, Y, Li, J, Lin, T.
Deposit date:2015-09-12
Release date:2016-03-30
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:Fragment-wise design of inhibitors to 3C proteinase from enterovirus 71
Biochim.Biophys.Acta, 1860, 2016
5DP5
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BU of 5dp5 by Molmil
Crystal Structure of EV71 3C Proteinase in complex with compound 4
Descriptor: 3C proteinase, ethyl (2Z,4S)-4-{[(2R,5S)-5-amino-2-(4-fluorobenzyl)-6-methyl-4-oxoheptanoyl]amino}-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate
Authors:Wu, C, Zhang, L, Li, P, Cai, Q, Peng, X, Li, N, Cai, Y, Li, J, Lin, T.
Deposit date:2015-09-12
Release date:2016-03-30
Last modified:2016-04-06
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Fragment-wise design of inhibitors to 3C proteinase from enterovirus 71
Biochim.Biophys.Acta, 1860, 2016
5DP7
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BU of 5dp7 by Molmil
Crystal Structure of EV71 3C Proteinase in complex with compound 5
Descriptor: 3C proteinase, ethyl (2Z,4S)-4-{[N-(3-methylbutanoyl)-L-phenylalanyl]amino}-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate
Authors:Wu, C, Zhang, L, Li, P, Cai, Q, Peng, X, Li, N, Cai, Y, Li, J, Lin, T.
Deposit date:2015-09-12
Release date:2016-03-30
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Fragment-wise design of inhibitors to 3C proteinase from enterovirus 71
Biochim.Biophys.Acta, 1860, 2016
5DP3
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BU of 5dp3 by Molmil
Crystal Structure of EV71 3C Proteinase in complex with compound 2
Descriptor: 3C proteinase, ethyl (4S)-5-[(3S)-2-oxopyrrolidin-3-yl]-4-[(3-phenylpropanoyl)amino]pent-2-enoate
Authors:Wu, C, Zhang, L, Li, P, Cai, Q, Peng, X, Li, N, Cai, Y, Li, J, Lin, T.
Deposit date:2015-09-12
Release date:2016-03-30
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Fragment-wise design of inhibitors to 3C proteinase from enterovirus 71
Biochim.Biophys.Acta, 1860, 2016
6KM7
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BU of 6km7 by Molmil
The structural basis for the internal interaction in RBBP5
Descriptor: HEXAETHYLENE GLYCOL, NONAETHYLENE GLYCOL, Retinoblastoma-binding protein 5, ...
Authors:Han, J, Li, T, Chen, Y.
Deposit date:2019-07-31
Release date:2019-10-02
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.801 Å)
Cite:The internal interaction in RBBP5 regulates assembly and activity of MLL1 methyltransferase complex.
Nucleic Acids Res., 47, 2019
5TO8
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BU of 5to8 by Molmil
Selectivity switch between FAK and Pyk2: Macrocyclization of FAK inhibitors improves Pyk2 potency
Descriptor: 25-(methylsulfonyl)-8-(trifluoromethyl)-5,17,18,21,22,23,24,25-octahydro-12H-7,11-(azeno)-16,13-(metheno)pyrido[3,2-i]pyrrolo[1,2-q][1,3,7,11,17]pentaazacyclohenicosin-20(6H)-one, Protein-tyrosine kinase 2-beta
Authors:Newby, Z.E.
Deposit date:2016-10-17
Release date:2016-12-21
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.9849 Å)
Cite:Selectivity switch between FAK and Pyk2: Macrocyclization of FAK inhibitors improves Pyk2 potency.
Bioorg. Med. Chem. Lett., 26, 2016
5TOB
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BU of 5tob by Molmil
Selectivity switch between FAK and Pyk2: Macrocyclization of FAK inhibitors improves Pyk2 potency
Descriptor: N-methyl-N-{3-[({2-[(2-oxo-2,3-dihydro-1H-indol-5-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl}amino)methyl]pyridin-2-yl}methanesulfonamide, Protein-tyrosine kinase 2-beta
Authors:Newby, Z.E.
Deposit date:2016-10-17
Release date:2017-11-29
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.117 Å)
Cite:Selectivity switch between FAK and Pyk2: Macrocyclization of FAK inhibitors improves Pyk2 potency.
Bioorg. Med. Chem. Lett., 26, 2016
8GT9
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BU of 8gt9 by Molmil
Selective targeting of the Beclin 2-Atg14L coiled coil complex by stapled peptides promotes autophagy and endolysosomal trafficking of GPCRs
Descriptor: Beclin-2
Authors:Qiu, X, Zhao, Y.
Deposit date:2022-09-07
Release date:2023-07-26
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2 Å)
Cite:The potent BECN2-ATG14 coiled-coil interaction is selectively critical for endolysosomal degradation of GPRASP1/GASP1-associated GPCRs.
Autophagy, 19, 2023
8GU7
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BU of 8gu7 by Molmil
Selective targeting of the Beclin 2-Atg14L coiled coil complex by stapled peptides promotes autophagy and endolysosomal trafficking of GPCRs
Descriptor: Beclin 1-associated autophagy-related key regulator, Beclin-2
Authors:Qiu, X, Zhao, Y.
Deposit date:2022-09-11
Release date:2023-07-26
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:The potent BECN2-ATG14 coiled-coil interaction is selectively critical for endolysosomal degradation of GPRASP1/GASP1-associated GPCRs.
Autophagy, 19, 2023
5WVI
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BU of 5wvi by Molmil
The resting state of yeast proteasome
Descriptor: 26S protease regulatory subunit 4 homolog, 26S protease regulatory subunit 6A, 26S protease regulatory subunit 6B homolog, ...
Authors:Ding, Z, Cong, Y.
Deposit date:2016-12-25
Release date:2017-03-22
Last modified:2019-10-23
Method:ELECTRON MICROSCOPY (6.3 Å)
Cite:High-resolution cryo-EM structure of the proteasome in complex with ADP-AlFx
Cell Res., 27, 2017
5WTT
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BU of 5wtt by Molmil
Structure of the 093G9 Fab in complex with the epitope peptide
Descriptor: Epitope peptide of Cyr61, Heavy chain of 093G9 Fab, Light chain of 093G9 Fab
Authors:Zhong, C, Hu, K, Shen, J, Ding, J.
Deposit date:2016-12-14
Release date:2017-12-20
Last modified:2019-01-02
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Molecular basis for the recognition of CCN1 by monoclonal antibody 093G9.
J. Mol. Recognit., 30, 2017
5WVK
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BU of 5wvk by Molmil
Yeast proteasome-ADP-AlFx
Descriptor: 26S protease regulatory subunit 4 homolog, 26S protease regulatory subunit 6A, 26S protease regulatory subunit 6B homolog, ...
Authors:Ding, Z, Cong, Y.
Deposit date:2016-12-25
Release date:2017-03-22
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (4.2 Å)
Cite:High-resolution cryo-EM structure of the proteasome in complex with ADP-AlFx
Cell Res., 27, 2017
5YE2
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BU of 5ye2 by Molmil
mammalian endo-lysosomal TRPML1 channel inserting into amphipol
Descriptor: mammalian endo-lysosomal TRPML1 channel
Authors:Yang, M, Gao, N.
Deposit date:2017-09-15
Release date:2017-12-27
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (5.8 Å)
Cite:Cryo-EM structures of the mammalian endo-lysosomal TRPML1 channel elucidate the combined regulation mechanism
Protein Cell, 8, 2017
5YE1
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BU of 5ye1 by Molmil
structure of endo-lysosomal TRPML1 channel inserting into amphipol: state 2
Descriptor: Mucolipin-1
Authors:Yang, M, Gao, N.
Deposit date:2017-09-15
Release date:2017-12-27
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (5.8 Å)
Cite:Cryo-EM structures of the mammalian endo-lysosomal TRPML1 channel elucidate the combined regulation mechanism
Protein Cell, 8, 2017
5YE5
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BU of 5ye5 by Molmil
structure of endo-lysosomal TRPML1 channel inserting into nanodisc
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, mammalian endo-lysosomal TRPML1 channel
Authors:Yang, M, Gao, N.
Deposit date:2017-09-15
Release date:2017-11-15
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (5.8 Å)
Cite:Cryo-EM structures of the mammalian endo-lysosomal TRPML1 channel elucidate the combined regulation mechanism
Protein Cell, 8, 2017
5YDZ
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BU of 5ydz by Molmil
structure of endo-lysosomal TRPML1 channel inserting into amphipol: state 1
Descriptor: mammalian endo-lysosomal TRPML1 channel
Authors:Yang, M, Gao, N.
Deposit date:2017-09-15
Release date:2017-12-27
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (5.8 Å)
Cite:Cryo-EM structures of the mammalian endo-lysosomal TRPML1 channel elucidate the combined regulation mechanism
Protein Cell, 8, 2017
1BDW
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BU of 1bdw by Molmil
GRAMICIDIN D FROM BACILLUS BREVIS (ACTIVE FORM)
Descriptor: ACETIC ACID, GRAMICIDIN A
Authors:Burkhart, B.M, Pangborn, W.A, Duax, W.L.
Deposit date:1998-05-11
Release date:1998-10-14
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The Conducting Form of Gramicidin a is a Right-Handed Double-Stranded Double Helix.
Proc.Natl.Acad.Sci.USA, 95, 1998
1CLE
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BU of 1cle by Molmil
STRUCTURE OF UNCOMPLEXED AND LINOLEATE-BOUND CANDIDA CYLINDRACEA CHOLESTEROL ESTERASE
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL ESTERASE, ...
Authors:Ghosh, D.
Deposit date:1995-02-08
Release date:1996-03-08
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure of uncomplexed and linoleate-bound Candida cylindracea cholesterol esterase.
Structure, 3, 1995
5XLO
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BU of 5xlo by Molmil
Anti-CRISPR proteins AcrF1/2 bound to Csy surveillance complex with a 32nt spacer crRNA backbone region
Descriptor: CRISPR-associated protein Csy3, Uncharacterized protein AcrF1, crRNA with 32nt spacer sequence
Authors:Peng, R, Shi, Y, Gao, G.F.
Deposit date:2017-05-11
Release date:2018-01-10
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Alternate binding modes of anti-CRISPR viral suppressors AcrF1/2 to Csy surveillance complex revealed by cryo-EM structures.
Cell Res., 27, 2017
8JP0
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BU of 8jp0 by Molmil
structure of human sodium-calciumexchanger NCX1
Descriptor: 2-{4-[(2,5-difluorophenyl)methoxy]phenoxy}-5-ethoxyaniline, Sodium/calcium exchanger 1
Authors:Dong, Y, Zhao, Y.
Deposit date:2023-06-09
Release date:2024-01-03
Last modified:2024-01-24
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Structural insight into the allosteric inhibition of human sodium-calcium exchanger NCX1 by XIP and SEA0400.
Embo J., 43, 2024
5Y10
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BU of 5y10 by Molmil
SFTSV Gn head domain
Descriptor: Membrane glycoprotein polyprotein, alpha-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
Authors:Wu, Y, Gao, F, Qi, J.X, Chai, Y, Gao, G.F.
Deposit date:2017-07-19
Release date:2017-09-13
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structures of phlebovirus glycoprotein Gn and identification of a neutralizing antibody epitope
Proc. Natl. Acad. Sci. U.S.A., 114, 2017

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数据于2024-06-12公开中

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