2LL5
 
 | | Cyclo-TC1 Trp-cage | | Descriptor: | Cyclo-TC1 | | Authors: | Lin, J.C, Scian, M, Andersen, N.H. | | Deposit date: | 2011-10-26 | | Release date: | 2012-07-18 | | Last modified: | 2023-06-14 | | Method: | SOLUTION NMR | | Cite: | Crystal and NMR structures of a Trp-cage mini-protein benchmark for computational fold prediction.
Proc.Natl.Acad.Sci.USA, 109, 2012
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7WPH
 | | SARS-CoV2 RBD bound to Fab06 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, FAB06 light chain, Fab06 heavy chain, ... | | Authors: | Lin, J.Q, El Sahili, A, Lescar, J. | | Deposit date: | 2022-01-23 | | Release date: | 2022-03-30 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.89 Å) | | Cite: | Engineering SARS-CoV-2 specific cocktail antibodies into a bispecific format improves neutralizing potency and breadth.
Nat Commun, 13, 2022
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7WPV
 | | Fab14 - a SARS-CoV2 RBD neutralising antibody | | Descriptor: | Fab14 heavy chain, Fab14 light chain | | Authors: | Lin, J.Q, El Sahili, A, Lescar, J. | | Deposit date: | 2022-01-24 | | Release date: | 2022-03-30 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.46 Å) | | Cite: | Engineering SARS-CoV-2 specific cocktail antibodies into a bispecific format improves neutralizing potency and breadth.
Nat Commun, 13, 2022
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7DIJ
 | | Falcilysin in complex with MK-4815 | | Descriptor: | 1,2-ETHANEDIOL, 2-(aminomethyl)-3,5-ditert-butyl-phenol, ACETATE ION, ... | | Authors: | Lin, J.Q, El Sahili, A, Lescar, J. | | Deposit date: | 2020-11-19 | | Release date: | 2021-12-01 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Identification of an inhibitory pocket in falcilysin provides a new avenue for malaria drug development.
Cell Chem Biol, 31, 2024
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7DIA
 | | Falcilysin in complex with mefloquine | | Descriptor: | (S)-[2,8-bis(trifluoromethyl)quinolin-4-yl]-[(2S)-piperidin-2-yl]methanol, 1,2-ETHANEDIOL, ACETATE ION, ... | | Authors: | Lin, J.Q, El Sahili, A, Lescar, J. | | Deposit date: | 2020-11-18 | | Release date: | 2021-12-01 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Identification of an inhibitory pocket in falcilysin provides a new avenue for malaria drug development.
Cell Chem Biol, 31, 2024
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7DI7
 | | Falcilysin in complex with chloroquine | | Descriptor: | ACETATE ION, Falcilysin, N4-(7-CHLORO-QUINOLIN-4-YL)-N1,N1-DIETHYL-PENTANE-1,4-DIAMINE, ... | | Authors: | Lin, J.Q, El Sahili, A, Lescar, J. | | Deposit date: | 2020-11-18 | | Release date: | 2021-12-01 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (1.82 Å) | | Cite: | Identification of an inhibitory pocket in falcilysin provides a new avenue for malaria drug development.
Cell Chem Biol, 31, 2024
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7XXL
 | | RBD in complex with Fab14 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Fab14 heavy chain, Fab14 light chain, ... | | Authors: | Lin, J.Q, Tan, Y.J.E, Wu, B, Lescar, J. | | Deposit date: | 2022-05-30 | | Release date: | 2022-09-14 | | Last modified: | 2022-10-05 | | Method: | ELECTRON MICROSCOPY (7.3 Å) | | Cite: | Engineering SARS-CoV-2 specific cocktail antibodies into a bispecific format improves neutralizing potency and breadth.
Nat Commun, 13, 2022
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7DU3
 | | ThiL in complex with AMP-PNP | | Descriptor: | 1,2-ETHANEDIOL, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | | Authors: | Lin, J.Q, Lescar, J. | | Deposit date: | 2021-01-07 | | Release date: | 2022-03-09 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.54 Å) | | Cite: | ThiL in complex with AMP-PNP
To Be Published
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7VPE
 | | Falcilysin in complex with A1 | | Descriptor: | (4S,5S)-1-[[3-[[(4S,5S)-4,5-diphenyl-4,5-dihydroimidazol-1-yl]methyl]phenyl]methyl]-4,5-diphenyl-4,5-dihydroimidazole, ACETATE ION, CHLORIDE ION, ... | | Authors: | Lin, J.Q, El Sahili, A, Lescar, J. | | Deposit date: | 2021-10-16 | | Release date: | 2022-10-19 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.62 Å) | | Cite: | Title is not available yet as we are preparing the manuscript. Will update again once the paper is out.
To Be Published
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2QD0
 | | Crystal structure of mitoNEET | | Descriptor: | FE2/S2 (INORGANIC) CLUSTER, Zinc finger CDGSH domain-containing protein 1 | | Authors: | Lin, J, Zhou, T, Ye, K, Wang, J. | | Deposit date: | 2007-06-20 | | Release date: | 2007-08-28 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.81 Å) | | Cite: | Crystal structure of human mitoNEET reveals distinct groups of iron sulfur proteins.
Proc.Natl.Acad.Sci.Usa, 104, 2007
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6XR2
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6XR1
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6Y6O
 | | Structure of mature activin A with small molecule 42 | | Descriptor: | (3~{R})-4-ethyl-3-methyl-3-propyl-1~{H}-1,4-benzodiazepine-2,5-dione, Inhibin beta A chain, SULFATE ION | | Authors: | McLoughlin, J.D, Brear, P.B, Reinhardt, T, Spring, D.R, Hyvonen, M. | | Deposit date: | 2020-02-26 | | Release date: | 2021-02-03 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.04 Å) | | Cite: | Demonstration of the utility of DOS-derived fragment libraries for rapid hit derivatisation in a multidirectional fashion
Chem Sci, 11, 2020
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4YIT
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4YIS
 | | Crystal Structure of LAGLIDADG Meganuclease I-CpaMI Bound to Uncleaved DNA | | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, DNA (28-MER), ... | | Authors: | Hallinan, J.P, Kaiser, B.K, Stoddard, B.L. | | Deposit date: | 2015-03-02 | | Release date: | 2016-03-23 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.89 Å) | | Cite: | Indirect DNA Sequence Recognition and Its Impact on Nuclease Cleavage Activity.
Structure, 24, 2016
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6Y6N
 | | Structure of mature activin A with small molecule 2 | | Descriptor: | (3~{R})-3,4-dimethyl-3-propyl-1~{H}-1,4-benzodiazepine-2,5-dione, Inhibin beta A chain, SULFATE ION | | Authors: | McLoughlin, J.D, Brear, P.B, Reinhardt, T, Spring, D.R, Hyvonen, M. | | Deposit date: | 2020-02-26 | | Release date: | 2021-01-13 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.03 Å) | | Cite: | Demonstration of the utility of DOS-derived fragment libraries for rapid hit derivatisation in a multidirectional fashion
Chem Sci, 11, 2020
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8FX9
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8P6I
 | | Crystal structure of the 139H2 Fab fragment bound to Muc1 peptide epitope | | Descriptor: | 139H2 HC, 139H2 LC, Mucin-1 | | Authors: | Beugelink, J.W, Peng, W, Siborova, M, Pronker, M.F, Snijder, J, Janssen, B.J.C. | | Deposit date: | 2023-05-26 | | Release date: | 2024-04-03 | | Last modified: | 2024-04-10 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Reverse-engineering the anti-MUC1 antibody 139H2 by mass spectrometry-based de novo sequencing.
Life Sci Alliance, 7, 2024
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6P58
 | | Dark and Steady State-Illuminated Crystal Structure of Cyanobacteriochrome Receptor PixJ at 150K | | Descriptor: | 1,2-ETHANEDIOL, MAGNESIUM ION, Methyl-accepting chemotaxis protein, ... | | Authors: | Clinger, J.A, Miller, M.D, Buirgie, E.S, Vierstra, R.D, Phillips Jr, G.N. | | Deposit date: | 2019-05-29 | | Release date: | 2019-12-18 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.499 Å) | | Cite: | Photoreversible interconversion of a phytochrome photosensory module in the crystalline state.
Proc.Natl.Acad.Sci.USA, 117, 2020
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8RMO
 | | Crystal structure of anti-FLAG M2 Fab fragment bound to FLAG-tag peptide epitope | | Descriptor: | CHLORIDE ION, FLAG-tag, anti-FLAG M2 heavy chain, ... | | Authors: | Beugelink, J.W, Janssen, B.J.C, Pronker, M.F. | | Deposit date: | 2024-01-08 | | Release date: | 2024-04-03 | | Last modified: | 2024-07-03 | | Method: | X-RAY DIFFRACTION (1.163 Å) | | Cite: | Structural Basis for Recognition of the FLAG-tag by Anti-FLAG M2.
J.Mol.Biol., 436, 2024
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6P64
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6PU1
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6EB2
 | | HIV-1 Integrase Catalytic Core Domain Complexed with Allosteric Inhibitor (2S)-[1-(1-benzyl-1H-pyrazol-4-yl)-3-(3,4-dihydro-2H-1-benzopyran-6-yl)isoquinolin-4-yl](tert-butoxy)acetic acid | | Descriptor: | (2S)-[1-(1-benzyl-1H-pyrazol-4-yl)-3-(3,4-dihydro-2H-1-benzopyran-6-yl)isoquinolin-4-yl](tert-butoxy)acetic acid, Integrase | | Authors: | Lindenberger, J.J, Kobe, M, Kvaratskhelia, M. | | Deposit date: | 2018-08-03 | | Release date: | 2019-03-06 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.493 Å) | | Cite: | An Isoquinoline Scaffold as a Novel Class of Allosteric HIV-1 Integrase Inhibitors.
ACS Med Chem Lett, 10, 2019
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6EB1
 | | HIV-1 Integrase Catalytic Core Domain Complexed with Allosteric Inhibitor (2S)-tert-butoxy[3-(3,4-dihydro-2H-1-benzopyran-6-yl)-1-phenylisoquinolin-4-yl]acetic acid | | Descriptor: | (2S)-tert-butoxy[3-(3,4-dihydro-2H-1-benzopyran-6-yl)-1-phenylisoquinolin-4-yl]acetic acid, Integrase | | Authors: | Lindenberger, J.J, Kobe, M, Kvaratskhelia, M. | | Deposit date: | 2018-08-03 | | Release date: | 2019-03-06 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | An Isoquinoline Scaffold as a Novel Class of Allosteric HIV-1 Integrase Inhibitors.
ACS Med Chem Lett, 10, 2019
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5W4V
 | | Structure of RORgt bound to a tertiary alcohol | | Descriptor: | (R)-(4-chloro-2-methoxy-3-{[4-(1H-pyrazol-1-yl)phenyl]methyl}quinolin-6-yl)(1-methyl-1H-imidazol-5-yl)[6-(trifluoromethyl)pyridin-3-yl]methanol, Nuclear receptor ROR-gamma | | Authors: | Spurlino, J, Hars, U. | | Deposit date: | 2017-06-13 | | Release date: | 2017-12-27 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | 6-Substituted quinolines as ROR gamma t inverse agonists.
Bioorg. Med. Chem. Lett., 27, 2017
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