8E9L
 
 | | Crystal structure of E. coli aspartate aminotransferase mutant VFIT in the ligand-free form at 278 K | | Descriptor: | Aspartate aminotransferase, PYRIDOXAL-5'-PHOSPHATE, SULFATE ION | | Authors: | Chica, R.A, St-Jacques, A.D, Rodriguez, J.M, Thompson, M.C. | | Deposit date: | 2022-08-26 | | Release date: | 2022-10-05 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.31 Å) | | Cite: | Computational remodeling of an enzyme conformational landscape for altered substrate selectivity.
Nat Commun, 14, 2023
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8E9R
 | | Crystal structure of E. coli aspartate aminotransferase mutant VFCS in the ligand-free form at 278 K | | Descriptor: | Aspartate aminotransferase, PYRIDOXAL-5'-PHOSPHATE, SULFATE ION | | Authors: | Chica, R.A, St-Jacques, A.D, Rodriguez, J.M, Thompson, M.C. | | Deposit date: | 2022-08-26 | | Release date: | 2022-10-05 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Computational remodeling of an enzyme conformational landscape for altered substrate selectivity.
Nat Commun, 14, 2023
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8JHZ
 | | Cryo-EM structure of the TcsH-TMPRSS2 complex | | Descriptor: | Hemorrhagic toxin, Transmembrane protease serine 2, ZINC ION | | Authors: | Zhou, R, Liang, T, Zhan, X. | | Deposit date: | 2023-05-25 | | Release date: | 2024-03-20 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Molecular basis of TMPRSS2 recognition by Paeniclostridium sordellii hemorrhagic toxin.
Nat Commun, 15, 2024
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8E9K
 | | Crystal structure of wild-type E. coli aspartate aminotransferase bound to maleate at 278 K | | Descriptor: | Aspartate aminotransferase, MALEIC ACID, PYRIDOXAL-5'-PHOSPHATE | | Authors: | Chica, R.A, St-Jacques, A.D, Rodriguez, J.M, Thompson, M.C. | | Deposit date: | 2022-08-26 | | Release date: | 2022-10-05 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.83 Å) | | Cite: | Computational remodeling of an enzyme conformational landscape for altered substrate selectivity.
Nat Commun, 14, 2023
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8E9Q
 | | Crystal structure of E. coli aspartate aminotransferase mutant HEX bound to maleic acid at 278 K | | Descriptor: | Aspartate aminotransferase, MALEIC ACID, PYRIDOXAL-5'-PHOSPHATE | | Authors: | Chica, R.A, St-Jacques, A.D, Rodriguez, J.M, Thompson, M.C. | | Deposit date: | 2022-08-26 | | Release date: | 2022-10-05 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Computational remodeling of an enzyme conformational landscape for altered substrate selectivity.
Nat Commun, 14, 2023
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8E9O
 | | Crystal structure of E. coli aspartate aminotransferase mutant VFIY bound to maleic acid at 278 K | | Descriptor: | Aspartate aminotransferase, MALEIC ACID, PYRIDOXAL-5'-PHOSPHATE | | Authors: | Chica, R.A, St-Jacques, A.D, Rodriguez, J.M, Thompson, M.C. | | Deposit date: | 2022-08-26 | | Release date: | 2022-10-05 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.96 Å) | | Cite: | Computational remodeling of an enzyme conformational landscape for altered substrate selectivity.
Nat Commun, 14, 2023
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8JI0
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8E9T
 | | Crystal structure of wild-type E. coli aspartate aminotransferase in the ligand-free form at 303 K | | Descriptor: | Aspartate aminotransferase, PYRIDOXAL-5'-PHOSPHATE, SULFATE ION | | Authors: | Chica, R.A, St-Jacques, A.D, Rodriguez, J.M, Thompson, M.C. | | Deposit date: | 2022-08-26 | | Release date: | 2022-10-05 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.13 Å) | | Cite: | Computational remodeling of an enzyme conformational landscape for altered substrate selectivity.
Nat Commun, 14, 2023
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8E9S
 | | Crystal structure of E. coli aspartate aminotransferase mutant VFCS bound to maleic acid at 278 K | | Descriptor: | Aspartate aminotransferase, MALEIC ACID, PYRIDOXAL-5'-PHOSPHATE | | Authors: | Chica, R.A, St-Jacques, A.D, Rodriguez, J.M, Thompson, M.C. | | Deposit date: | 2022-08-26 | | Release date: | 2022-10-05 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Computational remodeling of an enzyme conformational landscape for altered substrate selectivity.
Nat Commun, 14, 2023
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8E9V
 | | Crystal structure of E. coli aspartate aminotransferase mutant VFIT in the ligand-free form at 303 K | | Descriptor: | Aspartate aminotransferase, PYRIDOXAL-5'-PHOSPHATE, SULFATE ION | | Authors: | Chica, R.A, St-Jacques, A.D, Rodriguez, J.M, Thompson, M.C. | | Deposit date: | 2022-08-26 | | Release date: | 2022-10-05 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | Computational remodeling of an enzyme conformational landscape for altered substrate selectivity.
Nat Commun, 14, 2023
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8E7M
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8E9I
 | | Mycobacterial respiratory complex I, semi-inserted quinone | | Descriptor: | (2R)-3-{[(R)-hydroxy({(1S,2R,3R,4R,5S,6S)-3,4,5-trihydroxy-2-(alpha-D-mannopyranosyloxy)-6-[(6-O-undecanoyl-beta-D-mannopyranosyl)oxy]cyclohexyl}oxy)phosphoryl]oxy}-2-(octanoyloxy)propyl undecanoate, FE2/S2 (INORGANIC) CLUSTER, FLAVIN MONONUCLEOTIDE, ... | | Authors: | Liang, Y, Rubinstein, J.L. | | Deposit date: | 2022-08-26 | | Release date: | 2022-10-12 | | Last modified: | 2024-06-19 | | Method: | ELECTRON MICROSCOPY (2.8 Å) | | Cite: | Structure of mycobacterial respiratory complex I.
Proc.Natl.Acad.Sci.USA, 120, 2023
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8J74
 | | Human high-affinity choline transporter CHT1 in the HC-3-bound outward-facing open conformation, dimeric state | | Descriptor: | (2S,2'S)-2,2'-biphenyl-4,4'-diylbis(2-hydroxy-4,4-dimethylmorpholin-4-ium), CHOLESTEROL HEMISUCCINATE, HEXADECANE, ... | | Authors: | Gao, Y, Qiu, Y, Zhao, Y. | | Deposit date: | 2023-04-27 | | Release date: | 2024-04-03 | | Last modified: | 2024-05-01 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | Transport mechanism of presynaptic high-affinity choline uptake by CHT1.
Nat.Struct.Mol.Biol., 31, 2024
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8E9H
 | | Mycobacterial respiratory complex I, fully-inserted quinone | | Descriptor: | (2R)-3-{[(R)-hydroxy({(1S,2R,3R,4R,5S,6S)-3,4,5-trihydroxy-2-(alpha-D-mannopyranosyloxy)-6-[(6-O-undecanoyl-beta-D-mannopyranosyl)oxy]cyclohexyl}oxy)phosphoryl]oxy}-2-(octanoyloxy)propyl undecanoate, FE2/S2 (INORGANIC) CLUSTER, FLAVIN MONONUCLEOTIDE, ... | | Authors: | Liang, Y, Rubinstein, J.L. | | Deposit date: | 2022-08-26 | | Release date: | 2022-10-12 | | Last modified: | 2023-04-05 | | Method: | ELECTRON MICROSCOPY (2.7 Å) | | Cite: | Structure of mycobacterial respiratory complex I.
Proc.Natl.Acad.Sci.USA, 120, 2023
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8E9G
 | | Mycobacterial respiratory complex I with both quinone positions modelled | | Descriptor: | (2R)-3-{[(R)-hydroxy({(1S,2R,3R,4R,5S,6S)-3,4,5-trihydroxy-2-(alpha-D-mannopyranosyloxy)-6-[(6-O-undecanoyl-beta-D-mannopyranosyl)oxy]cyclohexyl}oxy)phosphoryl]oxy}-2-(octanoyloxy)propyl undecanoate, FE2/S2 (INORGANIC) CLUSTER, FLAVIN MONONUCLEOTIDE, ... | | Authors: | Liang, Y, Rubinstein, J.L. | | Deposit date: | 2022-08-26 | | Release date: | 2022-10-12 | | Last modified: | 2024-06-19 | | Method: | ELECTRON MICROSCOPY (2.6 Å) | | Cite: | Structure of mycobacterial respiratory complex I.
Proc.Natl.Acad.Sci.USA, 120, 2023
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8ITX
 | | Crystal structure of human Galectin-3 in complex with small molecule inhibitor | | Descriptor: | 2-[(2S,3R,4S,5R,6R)-2-[2-[2,5-bis(chloranyl)phenyl]-5-methyl-1,2,4-triazol-3-yl]-4-[4-[4-chloranyl-3,5-bis(fluoranyl)phenyl]-1,2,3-triazol-1-yl]-6-(hydroxymethyl)-5-oxidanyl-oxan-3-yl]oxyethanoic acid, CHLORIDE ION, Galectin-3, ... | | Authors: | Jinal, S, Ghosh, K. | | Deposit date: | 2023-03-23 | | Release date: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.12 Å) | | Cite: | Discovery and Exploration of Monosaccharide Linked Dimers to Target Fibrosis
To Be Published
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8ITZ
 | | Crystal structure of human Galectin-3 in complex with small molecule inhibitor | | Descriptor: | 2-[(2R,3R,4S,5R,6R)-2-(3,4-dichlorophenyl)sulfanyl-6-(hydroxymethyl)-5-oxidanyl-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxan-3-yl]oxyethanoic acid, CHLORIDE ION, Galectin-3, ... | | Authors: | Jinal, S, Amit, K, Ghosh, K. | | Deposit date: | 2023-03-23 | | Release date: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.22 Å) | | Cite: | Discovery and Exploration of Monosaccharide Linked Dimers to Target Fibrosis
To Be Published
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8DT3
 | | Cryo-EM structure of spike binding to Fab of neutralizing antibody (locally refined) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain Fab of SW186, Light chain Fab of SW186, ... | | Authors: | Sun, P.C, Fang, Y, Bai, X.C, Chen, Z.J. | | Deposit date: | 2022-07-25 | | Release date: | 2022-08-03 | | Last modified: | 2022-11-09 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | An antibody that neutralizes SARS-CoV-1 and SARS-CoV-2 by binding to a conserved spike epitope outside the receptor binding motif.
Sci Immunol, 7, 2022
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8J4C
 | | YeeE(TsuA)-YeeD(TsuB) complex for thiosulfate uptake | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Spirochaeta thermophila YeeE(TsuA)-YeeD(TsuB),UPF0033 domain-containing protein, SirA-like domain-containing protein (chimera), ... | | Authors: | Ikei, M, Miyazaki, R, Monden, K, Naito, Y, Takeuchi, A, Takahashi, Y.S, Tanaka, Y, Ichikawa, M, Tsukazaki, T. | | Deposit date: | 2023-04-19 | | Release date: | 2024-03-27 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (3.34 Å) | | Cite: | YeeD is an essential partner for YeeE-mediated thiosulfate uptake in bacteria and regulates thiosulfate ion decomposition.
Plos Biol., 22, 2024
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8E9E
 | | Rat protein farnesyltransferase in complex with FPP and inhibitor 2f | | Descriptor: | (5S)-4-({1-[(4-bromophenyl)methyl]-1H-imidazol-5-yl}methyl)-5-butyl-1-[3-(trifluoromethoxy)phenyl]piperazin-2-one, 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ... | | Authors: | Wang, Y, Shi, Y, Beese, L.S. | | Deposit date: | 2022-08-26 | | Release date: | 2022-10-26 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.844 Å) | | Cite: | Structure-Guided Discovery of Potent Antifungals that Prevent Ras Signaling by Inhibiting Protein Farnesyltransferase.
J.Med.Chem., 65, 2022
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8DT4
 | | X-ray structure of human acetylcholinesterase ternary complex with paraoxon and oxime MMB4 (POX-hAChE-MMB4) | | Descriptor: | 1,1'-methylenebis{4-[(E)-(hydroxyimino)methyl]pyridin-1-ium}, Acetylcholinesterase, DIETHYL PHOSPHONATE, ... | | Authors: | Kovalevsky, A.Y, Gerlits, O, Radic, Z. | | Deposit date: | 2022-07-25 | | Release date: | 2022-11-02 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structural and dynamic effects of paraoxon binding to human acetylcholinesterase by X-ray crystallography and inelastic neutron scattering.
Structure, 30, 2022
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8DT2
 | | X-ray structure of human acetylcholinesterase inhibited by paraoxon (POX-hAChE) | | Descriptor: | Acetylcholinesterase, DIETHYL PHOSPHONATE, DIMETHYL SULFOXIDE, ... | | Authors: | Kovalevsky, A.Y, Gerlits, O, Radic, Z. | | Deposit date: | 2022-07-25 | | Release date: | 2022-11-02 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.803 Å) | | Cite: | Structural and dynamic effects of paraoxon binding to human acetylcholinesterase by X-ray crystallography and inelastic neutron scattering.
Structure, 30, 2022
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8IU1
 | | Crystal structure of mouse Galectin-3 in complex with small molecule inhibitor | | Descriptor: | 2-[(2R,3R,4S,5R,6R)-2-(3,4-dichlorophenyl)sulfanyl-6-(hydroxymethyl)-5-oxidanyl-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxan-3-yl]oxyethanoic acid, Galectin-3, MAGNESIUM ION | | Authors: | Jinal, S, Amit, K, Ghosh, K. | | Deposit date: | 2023-03-23 | | Release date: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | Discovery and Exploration of Monosaccharide Linked Dimers to Target Fibrosis
To Be Published
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8DT7
 | | X-ray structure of human acetylcholinesterase in complex with oxime MMB4 (hAChE-MMB4) | | Descriptor: | 1,1'-methylenebis{4-[(E)-(hydroxyimino)methyl]pyridin-1-ium}, Acetylcholinesterase, GLYCEROL, ... | | Authors: | Kovalevsky, A.Y, Gerlits, O, Radic, Z. | | Deposit date: | 2022-07-25 | | Release date: | 2022-11-02 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.207 Å) | | Cite: | Structural and dynamic effects of paraoxon binding to human acetylcholinesterase by X-ray crystallography and inelastic neutron scattering.
Structure, 30, 2022
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8EAS
 | | Yeast VO in complex with Vma12-22p | | Descriptor: | V-type proton ATPase assembly factor Vma12p, V-type proton ATPase subunit F, V-type proton ATPase subunit a, ... | | Authors: | Wang, H, Bueler, S.A, Rubinstein, J.L. | | Deposit date: | 2022-08-29 | | Release date: | 2022-11-02 | | Last modified: | 2024-06-19 | | Method: | ELECTRON MICROSCOPY (2.6 Å) | | Cite: | Structural basis of V-ATPase V O region assembly by Vma12p, 21p, and 22p.
Proc.Natl.Acad.Sci.USA, 120, 2023
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