7O7B
 
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7SYY
 | | Hendra virus G protein head domain in complex with cross-neutralizing murine antibody hAH1.3 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Antibody hAH1.3 Heavy Chain, ... | | Authors: | Xu, K, Xu, Y. | | Deposit date: | 2021-11-25 | | Release date: | 2022-06-01 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.74 Å) | | Cite: | Potent monoclonal antibody-mediated neutralization of a divergent Hendra virus variant.
Proc.Natl.Acad.Sci.USA, 119, 2022
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7SYZ
 | | Hendra virus G protein head domain in complex with cross-neutralizing murine antibody hAH1.3 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Antibody hAH1.3 Heavy Chain, Antibody hAH1.3 light chain, ... | | Authors: | Xu, K, Xu, Y. | | Deposit date: | 2021-11-25 | | Release date: | 2022-06-08 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.86 Å) | | Cite: | Potent monoclonal antibody-mediated neutralization of a divergent Hendra virus variant.
Proc.Natl.Acad.Sci.USA, 119, 2022
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7TXZ
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7TY0
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6WHG
 | | PI3P and calcium bound full-length TRPY1 in detergent | | Descriptor: | (2R)-1-(butanoyloxy)-3-{[(R)-hydroxy{[(1S,2S,3S,4S,5S,6R)-2,3,4,6-tetrahydroxy-5-(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}propan-2-yl hexadecanoate, CALCIUM ION, Calcium channel YVC1 | | Authors: | Ahmed, T, Moiseenkova-Bell, V.Y. | | Deposit date: | 2020-04-08 | | Release date: | 2021-04-21 | | Last modified: | 2024-05-29 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Structure of the ancient TRPY1 channel from Saccharomyces cerevisiae reveals mechanisms of modulation by lipids and calcium.
Structure, 30, 2022
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6XUZ
 | | CRYSTAL STRUCTURE OF BRD4-BD1 WITH COMPOUND 4 | | Descriptor: | 6-[1-[(2~{S})-1-methoxypropan-2-yl]-6-[(3~{S})-3-methylmorpholin-4-yl]imidazo[4,5-c]pyridin-2-yl]-3-methyl-~{N}-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine, Bromodomain-containing protein 4 | | Authors: | Bader, G, Kessler, D, Wolkerstorfer, B. | | Deposit date: | 2020-01-21 | | Release date: | 2020-07-08 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.07 Å) | | Cite: | PI by NMR: Probing CH-pi Interactions in Protein-Ligand Complexes by NMR Spectroscopy.
Angew.Chem.Int.Ed.Engl., 59, 2020
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6XV3
 | | CRYSTAL STRUCTURE OF BRD4-BD1 WITH COMPOUND 3 | | Descriptor: | 3-methyl-6-[6-[(3~{S})-3-methylmorpholin-4-yl]-1-[(1~{S})-1-phenylethyl]imidazo[4,5-c]pyridin-2-yl]-~{N}-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine, Bromodomain-containing protein 4 | | Authors: | Bader, G, Kessler, D, Wolkerstorfer, B. | | Deposit date: | 2020-01-21 | | Release date: | 2020-07-08 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.47 Å) | | Cite: | PI by NMR: Probing CH-pi Interactions in Protein-Ligand Complexes by NMR Spectroscopy.
Angew.Chem.Int.Ed.Engl., 59, 2020
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6XVC
 | | CRYSTAL STRUCTURE OF BRD4-BD1 WITH COMPOUND 1 | | Descriptor: | (4~{R})-4-[(1~{R})-1-[7-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one, 1,2-ETHANEDIOL, Bromodomain-containing protein 4 | | Authors: | Bader, G, Kessler, D, Wolkerstorfer, B. | | Deposit date: | 2020-01-21 | | Release date: | 2020-07-08 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.098 Å) | | Cite: | PI by NMR: Probing CH-pi Interactions in Protein-Ligand Complexes by NMR Spectroscopy.
Angew.Chem.Int.Ed.Engl., 59, 2020
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6XV7
 | | CRYSTAL STRUCTURE OF BRD4-BD1 WITH COMPOUND 2 | | Descriptor: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, ~{N}-[[3,4-bis(fluoranyl)phenyl]methyl]-~{N},3-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine | | Authors: | Bader, G, Kessler, D, Wolkerstorfer, B. | | Deposit date: | 2020-01-21 | | Release date: | 2020-07-08 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.668 Å) | | Cite: | PI by NMR: Probing CH-pi Interactions in Protein-Ligand Complexes by NMR Spectroscopy.
Angew.Chem.Int.Ed.Engl., 59, 2020
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6QUW
 | | Crystal Structure of KRAS-G12D in Complex with Natural Product-Like Compound 9b | | Descriptor: | (3~{a}~{R},8~{b}~{S})-2,2,3~{a},8~{b}-tetramethyl-3,4-dihydro-1~{H}-pyrrolo[2,3-b]indole, GTPase KRas, MAGNESIUM ION, ... | | Authors: | Fischer, G, Kessler, D, Muellauer, B, Wolkerstorfer, B. | | Deposit date: | 2019-02-28 | | Release date: | 2019-07-31 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (1.242 Å) | | Cite: | KRAS Binders Hidden in Nature.
Chemistry, 25, 2019
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7KI6
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7KI4
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8R07
 | | C-terminal Rel-homology Domain of NFAT1 | | Descriptor: | Nuclear factor of activated T-cells, cytoplasmic 2 | | Authors: | Zak, K.M, Boettcher, J. | | Deposit date: | 2023-10-30 | | Release date: | 2024-03-06 | | Last modified: | 2024-06-12 | | Method: | X-RAY DIFFRACTION (1.74 Å) | | Cite: | Ligandability assessment of the C-terminal Rel-homology domain of NFAT1.
Arch Pharm, 357, 2024
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8P0F
 | | Crystal structure of the VCB complex with compound 1. | | Descriptor: | (3~{R},5~{R})-~{N}-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-5-oxidanyl-2-oxidanylidene-1-pyridin-2-yl-piperidine-3-carboxamide, CHLORIDE ION, Elongin-B, ... | | Authors: | Bader, G, Boettcher, J, Wolkerstorfer, B. | | Deposit date: | 2023-05-10 | | Release date: | 2023-05-31 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Drugit: Crowd-sourcing molecular design of non-peptidic VHL binders
Chemrxiv, 2023
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8R3F
 | | C-terminal Rel-homology Domain of NFAT1 | | Descriptor: | (4~{S})-6-fluoranyl-3,4-dihydro-2~{H}-chromen-4-amine, Nuclear factor of activated T-cells, cytoplasmic 2 | | Authors: | Zak, K.M, Boettcher, J. | | Deposit date: | 2023-11-08 | | Release date: | 2024-03-06 | | Last modified: | 2024-06-12 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Ligandability assessment of the C-terminal Rel-homology domain of NFAT1.
Arch Pharm, 357, 2024
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6FFA
 | | FMDV Leader protease bound to substrate ISG15 | | Descriptor: | GLYCEROL, Lbpro, SULFATE ION, ... | | Authors: | Swatek, K.N, Pruneda, J.N, Komander, D. | | Deposit date: | 2018-01-05 | | Release date: | 2018-02-21 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Irreversible inactivation of ISG15 by a viral leader protease enables alternative infection detection strategies.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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3KS0
 | | Crystal structure of the heme domain of flavocytochrome b2 in complex with Fab B2B4 | | Descriptor: | Cytochrome b2, mitochondrial, Fragment Antigen Binding B2B4, ... | | Authors: | Golinelli-Pimpaneau, B, Lederer, F, Le, K.H.D. | | Deposit date: | 2009-11-20 | | Release date: | 2010-05-26 | | Last modified: | 2019-07-17 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structural evidence for the functional importance of the heme domain mobility in flavocytochrome b2.
J.Mol.Biol., 400, 2010
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1XLR
 | | CHORISMATE LYASE WITH INHIBITOR VANILLATE | | Descriptor: | 4-HYDROXY-3-METHOXYBENZOATE, Chorismate--pyruvate lyase | | Authors: | Gallagher, D.T, Smith, N. | | Deposit date: | 2004-09-30 | | Release date: | 2004-11-09 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | Structural analysis of ligand binding and catalysis in chorismate lyase.
Arch.Biochem.Biophys., 445, 2006
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4DX2
 | | Crystal structure of the human TRPV4 ankyrin repeat domain | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, GLYCEROL, Transient receptor potential cation channel subfamily V member 4, ... | | Authors: | Inada, H, Gaudet, R. | | Deposit date: | 2012-02-27 | | Release date: | 2012-07-18 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.95 Å) | | Cite: | Structural and biochemical consequences of disease-causing mutations in the ankyrin repeat domain of the human TRPV4 channel.
Biochemistry, 51, 2012
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4DX1
 | | Crystal structure of the human TRPV4 ankyrin repeat domain | | Descriptor: | GLYCEROL, PHOSPHATE ION, Transient receptor potential cation channel subfamily V member 4 | | Authors: | Inada, H, Gaudet, R. | | Deposit date: | 2012-02-27 | | Release date: | 2012-07-18 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | Structural and biochemical consequences of disease-causing mutations in the ankyrin repeat domain of the human TRPV4 channel.
Biochemistry, 51, 2012
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4E9O
 | | Vaccinia D8L ectodomain structure | | Descriptor: | IMV membrane protein, IODIDE ION | | Authors: | Matho, M.H, Zajonc, D.M. | | Deposit date: | 2012-03-21 | | Release date: | 2012-06-06 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.42 Å) | | Cite: | Structural and Biochemical Characterization of the Vaccinia Virus Envelope Protein D8 and Its Recognition by the Antibody LA5.
J.Virol., 86, 2012
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4ETQ
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4EBQ
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2BZT
 | | NMR structure of the bacterial protein YFHJ from E. coli | | Descriptor: | PROTEIN ISCX | | Authors: | Pastore, C, Kelly, G, Adinolfi, S, Mc Cormick, J.E, Pastore, A. | | Deposit date: | 2005-08-22 | | Release date: | 2006-12-06 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | YfhJ, a molecular adaptor in iron-sulfur cluster formation or a frataxin-like protein?
Structure, 14, 2006
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