5YLC
 
 | | Crystal Structure of MCR-1 Catalytic Domain | | Descriptor: | Probable phosphatidylethanolamine transferase Mcr-1, ZINC ION | | Authors: | Wei, P.C, Song, G.J, Shi, M.Y, Zhou, Y.F, Liu, Y, Lei, J, Chen, P, Yin, L. | | Deposit date: | 2017-10-17 | | Release date: | 2017-11-08 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Substrate analog interaction with MCR-1 offers insight into the rising threat of the plasmid-mediated transferable colistin resistance.
FASEB J., 32, 2018
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5YLE
 | | MCR-1 complex with ethanolamine (ETA) | | Descriptor: | ETHANOLAMINE, Probable phosphatidylethanolamine transferase Mcr-1, ZINC ION | | Authors: | Wei, P.C, Song, G.J, Shi, M.Y, Zhou, Y.F, Liu, Y, Lei, J, Chen, P, Yin, L. | | Deposit date: | 2017-10-17 | | Release date: | 2017-11-08 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Substrate analog interaction with MCR-1 offers insight into the rising threat of the plasmid-mediated transferable colistin resistance.
FASEB J., 32, 2018
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8I71
 | | Hepatitis B virus core protein Y132A mutant in complex with Linvencorvir (RG7907), a Hepatitis B Virus (HBV) Core Protein Allosteric Modulator (CpAM) | | Descriptor: | 3-[(8~{a}~{S})-7-[[5-ethoxycarbonyl-4-(3-fluoranyl-2-methyl-phenyl)-2-(1,3-thiazol-2-yl)-1,4-dihydropyrimidin-6-yl]methyl]-3-oxidanylidene-5,6,8,8~{a}-tetrahydro-1~{H}-imidazo[1,5-a]pyrazin-2-yl]-2,2-dimethyl-propanoic acid, CHLORIDE ION, Capsid protein, ... | | Authors: | Zhou, Z, Xu, Z.H. | | Deposit date: | 2023-01-30 | | Release date: | 2023-03-22 | | Last modified: | 2023-04-05 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Discovery of Linvencorvir (RG7907), a Hepatitis B Virus Core Protein Allosteric Modulator, for the Treatment of Chronic HBV Infection.
J.Med.Chem., 66, 2023
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6JK6
 | | Crystal structure of human chitotriosidase-1 (hCHIT) catalytic domain in complex with compound 2-8-s2 | | Descriptor: | 6-azanyl-11-methyl-2-oxidanylidene-7-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-3-ylmethyl)-1,9-diaza-7-azoniatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,6,9,11,13-hexaene-5-carboxamide, Chitotriosidase-1 | | Authors: | Jiang, X, Yang, Q. | | Deposit date: | 2019-02-27 | | Release date: | 2020-02-19 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.571 Å) | | Cite: | A Series of Compounds Bearing a Dipyrido-Pyrimidine Scaffold Acting as Novel Human and Insect Pest Chitinase Inhibitors.
J.Med.Chem., 63, 2020
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6JKF
 | | Crystal structure of Serratia marcescens Chitinase B complexed with compound 2-8-s2 | | Descriptor: | 6-azanyl-11-methyl-2-oxidanylidene-7-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-3-ylmethyl)-1,9-diaza-7-azoniatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,6,9,11,13-hexaene-5-carboxamide, Chitinase | | Authors: | Yang, Q, Jiang, X. | | Deposit date: | 2019-02-28 | | Release date: | 2020-02-19 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | A Series of Compounds Bearing a Dipyrido-Pyrimidine Scaffold Acting as Novel Human and Insect Pest Chitinase Inhibitors.
J.Med.Chem., 63, 2020
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6JMN
 | | Crystal structure of Ostrinia furnacalis Chitinase h complexed with compound 2-8-s2 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 6-azanyl-11-methyl-2-oxidanylidene-7-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-3-ylmethyl)-1,9-diaza-7-azoniatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,6,9,11,13-hexaene-5-carboxamide, Chitinase | | Authors: | Jiang, X, Yang, Q. | | Deposit date: | 2019-03-12 | | Release date: | 2020-05-06 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | A Series of Compounds Bearing a Dipyrido-Pyrimidine Scaffold Acting as Novel Human and Insect Pest Chitinase Inhibitors.
J.Med.Chem., 63, 2020
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6JK9
 | | Crystal structure of Serratia marcescens Chitinase B complexed with compound 2-8-14 | | Descriptor: | 6-azanyl-2-oxidanylidene-N-[(1S)-1-phenylethyl]-7-(phenylmethyl)-1$l^{4},9-diaza-7-azoniatricyclo[8.4.0.0^{3,8}]tetradeca-1(14),3(8),4,6,10,12-hexaene-5-carboxamide, Chitinase | | Authors: | Jiang, X, Yang, Q. | | Deposit date: | 2019-02-27 | | Release date: | 2020-02-19 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.312 Å) | | Cite: | A Series of Compounds Bearing a Dipyrido-Pyrimidine Scaffold Acting as Novel Human and Insect Pest Chitinase Inhibitors.
J.Med.Chem., 63, 2020
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6JJR
 | | Crystal structure of human chitotriosidase-1 (hChit1) catalytic domain in complex with compound 2-8-14 | | Descriptor: | 6-azanyl-2-oxidanylidene-N-[(1S)-1-phenylethyl]-7-(phenylmethyl)-1$l^{4},9-diaza-7-azoniatricyclo[8.4.0.0^{3,8}]tetradeca-1(14),3(8),4,6,10,12-hexaene-5-carboxamide, Chitotriosidase-1 | | Authors: | Jiang, X, Yang, Q. | | Deposit date: | 2019-02-26 | | Release date: | 2020-02-19 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.834 Å) | | Cite: | A Series of Compounds Bearing a Dipyrido-Pyrimidine Scaffold Acting as Novel Human and Insect Pest Chitinase Inhibitors.
J.Med.Chem., 63, 2020
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6JQH
 | | Crystal structure of MaDA | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, MaDA | | Authors: | Du, X.X, Lei, X.G. | | Deposit date: | 2019-03-31 | | Release date: | 2020-04-08 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.303 Å) | | Cite: | FAD-dependent enzyme-catalysed intermolecular [4+2] cycloaddition in natural product biosynthesis.
Nat.Chem., 12, 2020
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6KXG
 | | Crystal structure of caspase-11-CARD | | Descriptor: | caspase-11-CARD | | Authors: | Liu, M.Z.Y, Jin, T.C. | | Deposit date: | 2019-09-11 | | Release date: | 2020-09-16 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.805 Å) | | Cite: | Crystal structure of caspase-11 CARD provides insights into caspase-11 activation.
Cell Discov, 6, 2020
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8U7X
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8U7W
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7WDF
 | | SARS-CoV-2 Beta spike in complex with two S3H3 Fabs | | Descriptor: | Heavy chain of S3H3 Fab, Light chain of S3H3 Fab, Spike glycoprotein | | Authors: | Wang, Y.F, Cong, Y. | | Deposit date: | 2021-12-21 | | Release date: | 2022-02-02 | | Method: | ELECTRON MICROSCOPY (3.9 Å) | | Cite: | Mapping cross-variant neutralizing sites on the SARS-CoV-2 spike protein.
Emerg Microbes Infect, 11, 2022
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7WD8
 | | SARS-CoV-2 Beta spike SD1 in complex with S3H3 Fab | | Descriptor: | Heavy chain of S3H3 Fab, Light chain of S3H3 Fab, Spike glycoprotein | | Authors: | Wang, Y.F, Cong, Y. | | Deposit date: | 2021-12-21 | | Release date: | 2022-02-02 | | Method: | ELECTRON MICROSCOPY (4.3 Å) | | Cite: | Mapping cross-variant neutralizing sites on the SARS-CoV-2 spike protein.
Emerg Microbes Infect, 11, 2022
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7WCZ
 | | SARS-CoV-2 Beta spike in complex with one S5D2 Fab | | Descriptor: | Heavy chain of S5D2 Fab, Light chain of S5D2 Fab, Spike glycoprotein | | Authors: | Wang, Y.F, Cong, Y. | | Deposit date: | 2021-12-20 | | Release date: | 2022-02-02 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Mapping cross-variant neutralizing sites on the SARS-CoV-2 spike protein.
Emerg Microbes Infect, 11, 2022
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7WCR
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7WD0
 | | SARS-CoV-2 Beta spike in complex with two S5D2 Fabs | | Descriptor: | Heavy chain of S5D2 Fab, Light chain of S5D2 Fab, Spike glycoprotein | | Authors: | Wang, Y.F, Cong, Y. | | Deposit date: | 2021-12-20 | | Release date: | 2022-02-02 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Mapping cross-variant neutralizing sites on the SARS-CoV-2 spike protein.
Emerg Microbes Infect, 11, 2022
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7WD7
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7WD9
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6KJY
 | | Galectin-13 variant C136S/C138S | | Descriptor: | Galactoside-binding soluble lectin 13 | | Authors: | Su, J. | | Deposit date: | 2019-07-23 | | Release date: | 2019-10-16 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Galectin-13/placental protein 13: redox-active disulfides as switches for regulating structure, function and cellular distribution.
Glycobiology, 30, 2020
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6KJW
 | | Galectin-13 variant C136S | | Descriptor: | Galactoside-binding soluble lectin 13 | | Authors: | Su, J. | | Deposit date: | 2019-07-23 | | Release date: | 2019-10-16 | | Last modified: | 2020-02-19 | | Method: | X-RAY DIFFRACTION (1.36 Å) | | Cite: | Galectin-13/placental protein 13: redox-active disulfides as switches for regulating structure, function and cellular distribution.
Glycobiology, 30, 2020
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6KJX
 | | Galectin-13 variant C138S | | Descriptor: | Galactoside-binding soluble lectin 13 | | Authors: | Su, J. | | Deposit date: | 2019-07-23 | | Release date: | 2019-10-16 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.53 Å) | | Cite: | Galectin-13/placental protein 13: redox-active disulfides as switches for regulating structure, function and cellular distribution.
Glycobiology, 30, 2020
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3E51
 | | Crystal structure of HCV NS5B polymerase with a novel pyridazinone inhibitor | | Descriptor: | N-{3-[5-hydroxy-2-(3-methylbutyl)-3-oxo-6-pyrrolidin-1-yl-2,3-dihydropyridazin-4-yl]-1,1-dioxido-2H-1,2,4-benzothiadiazin-7-yl}methanesulfonamide, RNA-directed RNA polymerase | | Authors: | Han, Q, Showalter, R.E, Zhao, Q, Kissinger, C.R. | | Deposit date: | 2008-08-12 | | Release date: | 2009-08-18 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Novel HCV NS5B polymerase inhibitors derived from 4-(1',1'-dioxo-1',4'-dihydro-1'lambda(6)-benzo[1',2',4']thiadiazin-3'-yl)-5-hydroxy-2H-pyridazin-3-ones. Part 5: Exploration of pyridazinones containing 6-amino-substituents.
Bioorg.Med.Chem.Lett., 18, 2008
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6MK0
 | | Integrin AlphaVBeta3 ectodomain bound to antagonist TDI-4161 | | Descriptor: | (2S)-2-[(1,3-benzothiazole-2-carbonyl)amino]-4-{[5-(1,8-naphthyridin-2-yl)pentanoyl]amino}butanoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | van Agthoven, J, Arnaout, M.A. | | Deposit date: | 2018-09-24 | | Release date: | 2019-09-25 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (3.005 Å) | | Cite: | Novel Pure alphaVbeta3 Integrin Antagonists That Do Not Induce Receptor Extension, Prime the Receptor, or Enhance Angiogenesis at Low Concentrations
Acs Pharmacol Transl Sci, 2, 2019
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2EK5
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