5MMV
| 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) | Descriptor: | (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 | Authors: | 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. | Deposit date: | 2016-12-12 | Release date: | 2017-12-20 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | 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
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4FZO
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6E8J
| Crystal Structure of A Bacterial Homolog to Human Lysosomal Transporter, Spinster, in Inward-facing And Occupied Conformation | Descriptor: | Major facilitator family transporter | Authors: | Zhou, F, Yao, D, Rao, B, Zhang, L, Cao, Y. | Deposit date: | 2018-07-30 | Release date: | 2019-08-14 | Last modified: | 2020-01-08 | Method: | X-RAY DIFFRACTION (3.091 Å) | Cite: | Crystal structure of a bacterial homolog to human lysosomal transporter, spinster Sci Bull (Beijing), 64, 2019
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5DP4
| 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
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5DFZ
| Structure of Vps34 complex II from S. cerevisiae. | Descriptor: | Nanobody binding S. cerevisiae Vps34, Phosphatidylinositol 3-kinase VPS34, Putative N-terminal domain of S. cerevisiae Vps30, ... | Authors: | Rostislavleva, K, Soler, N, Ohashi, Y, Zhang, L, Williams, R.L. | Deposit date: | 2015-08-27 | Release date: | 2015-10-07 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (4.4 Å) | Cite: | Structure and flexibility of the endosomal Vps34 complex reveals the basis of its function on membranes. Science, 350, 2015
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6KTH
| Crystal structure of Juvenile hormone diol kinase JHDK-L2 from silkworm, Bombyx mori | Descriptor: | CALCIUM ION, GLYCEROL, Juvenile hormone diol kinase | Authors: | Zhang, Y.S, Xu, H.Y, Wang, Z, Zhang, L, Zhao, P, Guo, P.C. | Deposit date: | 2019-08-28 | Release date: | 2020-09-02 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.22 Å) | Cite: | Structural characterization and functional analysis of juvenile hormone diol kinase from the silkworm, Bombyx mori. Int.J.Biol.Macromol., 167, 2021
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5DP3
| 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
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8EYZ
| Engineered glutamine binding protein bound to GLN and a cobaloxime ligand | Descriptor: | AZIDOBIS (DIMETHYLGLYOXIMATO) PYRIDINECOBALT, Amino acid ABC transporter substrate-binding protein, GLUTAMINE, ... | Authors: | Bridwell-Rabb, J, Boggs, D.G, Olshansky, L, Fatima, S, Thompson, P. | Deposit date: | 2022-10-29 | Release date: | 2022-11-23 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.99 Å) | Cite: | Engineering a Conformationally Switchable Artificial Metalloprotein. J.Am.Chem.Soc., 144, 2022
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5DP6
| 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
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6EBA
| Crystal Structure of A Bacterial Homolog to Human Lysosomal Transporter, Spinster, in Inward-facing And Unoccupied Conformation | Descriptor: | Major facilitator family transporter | Authors: | Zhou, F, Yao, D, Rao, B, Zhang, L, Cao, Y. | Deposit date: | 2018-08-06 | Release date: | 2019-08-21 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (3.812 Å) | Cite: | Crystal structure of a bacterial homolog to human lysosomal transporter, spinster Sci Bull (Beijing), 64, 2019
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4FZP
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5DP5
| 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
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5DP7
| 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
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6E9C
| Selenomethionine Derivative Structure of A Bacterial Homolog to Human Lysosomal Transporter, Spinster | Descriptor: | Major facilitator family transporter | Authors: | Zhou, F, Yao, D, Rao, B, Zhang, L, Cao, Y. | Deposit date: | 2018-07-31 | Release date: | 2019-08-14 | Last modified: | 2020-01-08 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Crystal structure of a bacterial homolog to human lysosomal transporter, spinster Sci Bull (Beijing), 64, 2019
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7XSR
| Structure of Craspase-target RNA | Descriptor: | CHAT domain protein, RAMP superfamily protein, RNA (34-MER), ... | Authors: | Feng, Y, Zhang, L. | Deposit date: | 2022-05-15 | Release date: | 2022-11-09 | Last modified: | 2022-12-14 | Method: | ELECTRON MICROSCOPY (2.97 Å) | Cite: | Target RNA activates the protease activity of Craspase to confer antiviral defense. Mol.Cell, 82, 2022
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7XSQ
| Structure of the Craspase | Descriptor: | CHAT domain protein, RAMP superfamily protein, RNA (34-MER), ... | Authors: | Feng, Y, Zhang, L. | Deposit date: | 2022-05-15 | Release date: | 2022-11-09 | Last modified: | 2022-12-14 | Method: | ELECTRON MICROSCOPY (2.88 Å) | Cite: | Target RNA activates the protease activity of Craspase to confer antiviral defense. Mol.Cell, 82, 2022
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7XT4
| Structure of Craspase-NTR | Descriptor: | CHAT domain protein, RAMP superfamily protein, RNA (34-MER), ... | Authors: | Feng, Y, Zhang, L. | Deposit date: | 2022-05-16 | Release date: | 2022-11-09 | Last modified: | 2022-12-14 | Method: | ELECTRON MICROSCOPY (3.08 Å) | Cite: | Target RNA activates the protease activity of Craspase to confer antiviral defense. Mol.Cell, 82, 2022
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5LWP
| Discovery of phenoxyindazoles and phenylthioindazoles as RORg inverse agonists | Descriptor: | 4-[3-[2-chloranyl-6-(trifluoromethyl)phenoxy]-5-(dimethylcarbamoyl)indazol-1-yl]benzoic acid, Nuclear receptor ROR-gamma | Authors: | 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. | Deposit date: | 2016-09-19 | Release date: | 2016-11-16 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Discovery of phenoxyindazoles and phenylthioindazoles as ROR gamma inverse agonists. Bioorg.Med.Chem.Lett., 26, 2016
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5DP9
| 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
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7XSO
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5DP8
| 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
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5DPA
| 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
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6F6R
| 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 | Descriptor: | (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 | Authors: | 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. | Deposit date: | 2017-12-06 | Release date: | 2018-05-02 | Last modified: | 2018-05-23 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Rational Drug Design of Topically Administered Caspase 1 Inhibitors for the Treatment of Inflammatory Acne. J. Med. Chem., 61, 2018
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7C81
| E30 F-particle in complex with 6C5 | Descriptor: | Heavy chain, Light chain, SPHINGOSINE, ... | Authors: | Wang, K, Zheng, B, Zhang, L, Cui, L, Su, X, Zhang, Q, Guo, Y, Zhu, L, Zhu, F, Rao, Z, Wang, X. | Deposit date: | 2020-05-28 | Release date: | 2020-07-29 | Last modified: | 2020-09-16 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Serotype specific epitopes identified by neutralizing antibodies underpin immunogenic differences in Enterovirus B. Nat Commun, 11, 2020
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5Z6P
| The crystal structure of an agarase, AgWH50C | Descriptor: | B-agarase | Authors: | Mao, X, Zhou, J, Zhang, P, Zhang, L, Zhang, J, Li, Y. | Deposit date: | 2018-01-24 | Release date: | 2019-01-02 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.061 Å) | Cite: | Structure-based design of agarase AgWH50C from Agarivorans gilvus WH0801 to enhance thermostability. Appl. Microbiol. Biotechnol., 103, 2019
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