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5MMV
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Crystal structure of human Caspase-1 with 2-((2-naphthoyl)-L-valyl)-4-hydroxy-N-((3S)-2-hydroxy-5-oxotetrahydrofuran-3-yl)-2-azabicyclo[2.2.2]octane-3-carboxamide (Compound 1)
分子名称: (3~{S})-3-[[(3~{S})-2-[(2~{S})-3-methyl-2-(naphthalen-2-ylcarbonylamino)butanoyl]-4-oxidanyl-2-azabicyclo[2.2.2]octan-3-yl]carbonylamino]-4-oxidanyl-butanoic acid, Caspase-1
著者Brethon, A, Chantalat, L, Christin, O, Clary, L, Fournier, J.F, Gastreich, M, Harris, C, Pascau, J, Isabet, T, Rodeschin, V, Thoreau, E, Roche, D.
登録日2016-12-12
公開日2017-12-20
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Crystal structure of human Caspase-1 with 2-((2-naphthoyl)-L-valyl)-4-hydroxy-N-((3S)-2-hydroxy-5-oxotetrahydrofuran-3-yl)-2-azabicyclo[2.2.2]octane-3-carboxamide (Compound 1)
To Be Published
4FZO
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BU of 4fzo by Molmil
Crystal Structure of the apo-form uranyl binding protein
分子名称: uranyl binding protein
著者He, C, Zhou, L, Zhang, L.
登録日2012-07-06
公開日2013-12-11
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献A protein engineered to bind uranyl selectively and with femtomolar affinity.
Nat Chem, 6, 2014
6E8J
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BU of 6e8j by Molmil
Crystal Structure of A Bacterial Homolog to Human Lysosomal Transporter, Spinster, in Inward-facing And Occupied Conformation
分子名称: Major facilitator family transporter
著者Zhou, F, Yao, D, Rao, B, Zhang, L, Cao, Y.
登録日2018-07-30
公開日2019-08-14
最終更新日2020-01-08
実験手法X-RAY DIFFRACTION (3.091 Å)
主引用文献Crystal structure of a bacterial homolog to human lysosomal transporter, spinster
Sci Bull (Beijing), 64, 2019
5DP4
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Crystal Structure of EV71 3C Proteinase in complex with compound 3
分子名称: 3C proteinase, ethyl (2Z,4S)-4-{[(2S)-2-methyl-3-phenylpropanoyl]amino}-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate
著者Wu, C, Zhang, L, Li, P, Cai, Q, Peng, X, Li, N, Cai, Y, Li, J, Lin, T.
登録日2015-09-12
公開日2016-03-30
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献Fragment-wise design of inhibitors to 3C proteinase from enterovirus 71
Biochim.Biophys.Acta, 1860, 2016
5DFZ
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Structure of Vps34 complex II from S. cerevisiae.
分子名称: Nanobody binding S. cerevisiae Vps34, Phosphatidylinositol 3-kinase VPS34, Putative N-terminal domain of S. cerevisiae Vps30, ...
著者Rostislavleva, K, Soler, N, Ohashi, Y, Zhang, L, Williams, R.L.
登録日2015-08-27
公開日2015-10-07
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (4.4 Å)
主引用文献Structure and flexibility of the endosomal Vps34 complex reveals the basis of its function on membranes.
Science, 350, 2015
6KTH
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BU of 6kth by Molmil
Crystal structure of Juvenile hormone diol kinase JHDK-L2 from silkworm, Bombyx mori
分子名称: CALCIUM ION, GLYCEROL, Juvenile hormone diol kinase
著者Zhang, Y.S, Xu, H.Y, Wang, Z, Zhang, L, Zhao, P, Guo, P.C.
登録日2019-08-28
公開日2020-09-02
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.22 Å)
主引用文献Structural characterization and functional analysis of juvenile hormone diol kinase from the silkworm, Bombyx mori.
Int.J.Biol.Macromol., 167, 2021
5DP3
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BU of 5dp3 by Molmil
Crystal Structure of EV71 3C Proteinase in complex with compound 2
分子名称: 3C proteinase, ethyl (4S)-5-[(3S)-2-oxopyrrolidin-3-yl]-4-[(3-phenylpropanoyl)amino]pent-2-enoate
著者Wu, C, Zhang, L, Li, P, Cai, Q, Peng, X, Li, N, Cai, Y, Li, J, Lin, T.
登録日2015-09-12
公開日2016-03-30
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Fragment-wise design of inhibitors to 3C proteinase from enterovirus 71
Biochim.Biophys.Acta, 1860, 2016
8EYZ
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Engineered glutamine binding protein bound to GLN and a cobaloxime ligand
分子名称: AZIDOBIS (DIMETHYLGLYOXIMATO) PYRIDINECOBALT, Amino acid ABC transporter substrate-binding protein, GLUTAMINE, ...
著者Bridwell-Rabb, J, Boggs, D.G, Olshansky, L, Fatima, S, Thompson, P.
登録日2022-10-29
公開日2022-11-23
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.99 Å)
主引用文献Engineering a Conformationally Switchable Artificial Metalloprotein.
J.Am.Chem.Soc., 144, 2022
5DP6
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Crystal Structure of EV71 3C Proteinase in complex with compound 7
分子名称: 3C proteinase, ethyl (2Z,4S)-4-{[N-(3-cyclopropylpropanoyl)-L-phenylalanyl]amino}-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate
著者Wu, C, Zhang, L, Li, P, Cai, Q, Peng, X, Li, N, Cai, Y, Li, J, Lin, T.
登録日2015-09-12
公開日2016-03-30
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (3.01 Å)
主引用文献Fragment-wise design of inhibitors to 3C proteinase from enterovirus 71
Biochim.Biophys.Acta, 1860, 2016
6EBA
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BU of 6eba by Molmil
Crystal Structure of A Bacterial Homolog to Human Lysosomal Transporter, Spinster, in Inward-facing And Unoccupied Conformation
分子名称: Major facilitator family transporter
著者Zhou, F, Yao, D, Rao, B, Zhang, L, Cao, Y.
登録日2018-08-06
公開日2019-08-21
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.812 Å)
主引用文献Crystal structure of a bacterial homolog to human lysosomal transporter, spinster
Sci Bull (Beijing), 64, 2019
4FZP
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BU of 4fzp by Molmil
Crystal Structure of the uranyl binding protein complexed with uranyl
分子名称: URANYL (VI) ION, uranyl binding protein
著者Zhou, L, Zhang, L, He, C.
登録日2012-07-06
公開日2013-12-11
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.29 Å)
主引用文献A protein engineered to bind uranyl selectively and with femtomolar affinity.
Nat Chem, 6, 2014
5DP5
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BU of 5dp5 by Molmil
Crystal Structure of EV71 3C Proteinase in complex with compound 4
分子名称: 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
著者Wu, C, Zhang, L, Li, P, Cai, Q, Peng, X, Li, N, Cai, Y, Li, J, Lin, T.
登録日2015-09-12
公開日2016-03-30
最終更新日2016-04-06
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Fragment-wise design of inhibitors to 3C proteinase from enterovirus 71
Biochim.Biophys.Acta, 1860, 2016
5DP7
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Crystal Structure of EV71 3C Proteinase in complex with compound 5
分子名称: 3C proteinase, ethyl (2Z,4S)-4-{[N-(3-methylbutanoyl)-L-phenylalanyl]amino}-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate
著者Wu, C, Zhang, L, Li, P, Cai, Q, Peng, X, Li, N, Cai, Y, Li, J, Lin, T.
登録日2015-09-12
公開日2016-03-30
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献Fragment-wise design of inhibitors to 3C proteinase from enterovirus 71
Biochim.Biophys.Acta, 1860, 2016
6E9C
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BU of 6e9c by Molmil
Selenomethionine Derivative Structure of A Bacterial Homolog to Human Lysosomal Transporter, Spinster
分子名称: Major facilitator family transporter
著者Zhou, F, Yao, D, Rao, B, Zhang, L, Cao, Y.
登録日2018-07-31
公開日2019-08-14
最終更新日2020-01-08
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Crystal structure of a bacterial homolog to human lysosomal transporter, spinster
Sci Bull (Beijing), 64, 2019
7XSR
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BU of 7xsr by Molmil
Structure of Craspase-target RNA
分子名称: CHAT domain protein, RAMP superfamily protein, RNA (34-MER), ...
著者Feng, Y, Zhang, L.
登録日2022-05-15
公開日2022-11-09
最終更新日2022-12-14
実験手法ELECTRON MICROSCOPY (2.97 Å)
主引用文献Target RNA activates the protease activity of Craspase to confer antiviral defense.
Mol.Cell, 82, 2022
7XSQ
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BU of 7xsq by Molmil
Structure of the Craspase
分子名称: CHAT domain protein, RAMP superfamily protein, RNA (34-MER), ...
著者Feng, Y, Zhang, L.
登録日2022-05-15
公開日2022-11-09
最終更新日2022-12-14
実験手法ELECTRON MICROSCOPY (2.88 Å)
主引用文献Target RNA activates the protease activity of Craspase to confer antiviral defense.
Mol.Cell, 82, 2022
7XT4
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BU of 7xt4 by Molmil
Structure of Craspase-NTR
分子名称: CHAT domain protein, RAMP superfamily protein, RNA (34-MER), ...
著者Feng, Y, Zhang, L.
登録日2022-05-16
公開日2022-11-09
最終更新日2022-12-14
実験手法ELECTRON MICROSCOPY (3.08 Å)
主引用文献Target RNA activates the protease activity of Craspase to confer antiviral defense.
Mol.Cell, 82, 2022
5LWP
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Discovery of phenoxyindazoles and phenylthioindazoles as RORg inverse agonists
分子名称: 4-[3-[2-chloranyl-6-(trifluoromethyl)phenoxy]-5-(dimethylcarbamoyl)indazol-1-yl]benzoic acid, Nuclear receptor ROR-gamma
著者Ouvry, G, Bouix-Peter, C, Ciesielski, F, Chantalat, L, Christin, O, Comino, C, Duvert, D, Feret, C, Harris, C.S, Luzy, A.-P, Musicki, B, Orfila, D, Pascau, J, Parnet, V, Perrin, A, Pierre, R, Raffin, C, Rival, Y, Taquet, N, Thoreau, E, Hennequin, L.F.
登録日2016-09-19
公開日2016-11-16
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Discovery of phenoxyindazoles and phenylthioindazoles as ROR gamma inverse agonists.
Bioorg.Med.Chem.Lett., 26, 2016
5DP9
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Crystal Structure of EV71 3C Proteinase in complex with compound 9
分子名称: 3C proteinase, ethyl (2Z,4S)-4-[(N-{[(cyclobutylmethyl)amino](oxo)acetyl}-L-phenylalanyl)amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate
著者Wu, C, Zhang, L, Li, P, Cai, Q, Peng, X, Li, N, Cai, Y, Li, J, Lin, T.
登録日2015-09-12
公開日2016-03-30
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Fragment-wise design of inhibitors to 3C proteinase from enterovirus 71
Biochim.Biophys.Acta, 1860, 2016
7XSO
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Structure of the type III-E CRISPR-Cas effector gRAMP
分子名称: RAMP superfamily protein, RNA (35-MER), ZINC ION
著者Feng, Y, Zhang, L.
登録日2022-05-15
公開日2023-03-22
実験手法ELECTRON MICROSCOPY (3.01 Å)
主引用文献Target RNA activates the protease activity of Craspase to confer antiviral defense.
Mol.Cell, 82, 2022
5DP8
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Crystal Structure of EV71 3C Proteinase in complex with compound 8
分子名称: 3C proteinase, ethyl (2Z,4S)-4-[(N-{[(2-cyclopropylethyl)amino](oxo)acetyl}-L-phenylalanyl)amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate
著者Wu, C, Zhang, L, Li, P, Cai, Q, Peng, X, Li, N, Cai, Y, Li, J, Lin, T.
登録日2015-09-12
公開日2016-03-30
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Fragment-wise design of inhibitors to 3C proteinase from enterovirus 71
Biochim.Biophys.Acta, 1860, 2016
5DPA
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Crystal Structure of EV71 3C Proteinase in complex with compound 6
分子名称: 3C proteinase, ethyl (2Z,4S)-4-[(N-acetyl-L-phenylalanyl)amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate
著者Wu, C, Zhang, L, Li, P, Cai, Q, Peng, X, Li, N, Cai, Y, Li, J, Lin, T.
登録日2015-09-12
公開日2016-03-30
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献Fragment-wise design of inhibitors to 3C proteinase from enterovirus 71
Biochim.Biophys.Acta, 1860, 2016
6F6R
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Crystal structure of human Caspase-1 with N-{3-[1-((S)-2-Hydroxy-5-oxo-tetrahydro-furan-3-ylcarbamoyl)-ethyl]-1-methyl-2,4-dioxo-1,2,3,4-tetrahydro-pyrimidin-5-yl}-4-(quinoxalin-2-ylamino)-benzamide
分子名称: (3~{S})-3-[[(2~{R})-2-[3-methyl-2,6-bis(oxidanylidene)-5-[[4-(quinoxalin-2-ylamino)phenyl]carbonylamino]pyrimidin-1-yl]propanoyl]amino]-4-oxidanyl-butanoic acid, Caspase-1, SULFATE ION
著者Fournier, J.F, Clary, L, Chambon, S, Dumais, L, Harris, C.S, Millois-Barbuis, C, Pierre, R, Talano, S, Thoreau, E, Aubert, J, Aurelly, M, Bouix-Peter, C, Brethon, A, Chantalat, L, Christin, O, Comino, C, El-Bazbouz, G, Ghilini, A.L, Isabet, T, Lardy, C, Luzy, A.P, Mathieu, C, Mebrouk, K, Orfila, D, Pascau, J, Reverse, K, Roche, D, Rodeschini, V, Hennequin, L.F.
登録日2017-12-06
公開日2018-05-02
最終更新日2018-05-23
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Rational Drug Design of Topically Administered Caspase 1 Inhibitors for the Treatment of Inflammatory Acne.
J. Med. Chem., 61, 2018
7C81
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E30 F-particle in complex with 6C5
分子名称: Heavy chain, Light chain, SPHINGOSINE, ...
著者Wang, K, Zheng, B, Zhang, L, Cui, L, Su, X, Zhang, Q, Guo, Y, Zhu, L, Zhu, F, Rao, Z, Wang, X.
登録日2020-05-28
公開日2020-07-29
最終更新日2020-09-16
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Serotype specific epitopes identified by neutralizing antibodies underpin immunogenic differences in Enterovirus B.
Nat Commun, 11, 2020
5Z6P
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The crystal structure of an agarase, AgWH50C
分子名称: B-agarase
著者Mao, X, Zhou, J, Zhang, P, Zhang, L, Zhang, J, Li, Y.
登録日2018-01-24
公開日2019-01-02
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.061 Å)
主引用文献Structure-based design of agarase AgWH50C from Agarivorans gilvus WH0801 to enhance thermostability.
Appl. Microbiol. Biotechnol., 103, 2019

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