Mine: Updated entries

6NRQ
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CRYSTAL STRUCTURE OF DPR10 IG1 BOUND TO DIP-ALPHA IG1
Descriptor:Defective proboscis extension response 10, isoform A, Dpr-interacting protein alpha, ...
Authors:Cheng, S., Park, Y.J., Kurleto, J.D., Ozkan, E.
Deposit date:2019-01-24
Release date:2019-02-06
Last modified:2019-02-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Molecular basis of synaptic specificity by immunoglobulin superfamily receptors in Drosophila.
Elife, 8, 2019
6J8L
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PHYTOPHTHORA SOJAE EFFECTOR PSAVH240 INHIBITS A HOST ASPARTIC PROTEASE SECRETION TO PROMOTE INFECTION
Descriptor:Avh240, SULFATE ION
Authors:Guo, B.
Deposit date:2019-01-19
Release date:2019-02-06
Last modified:2019-02-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Phytophthora sojae effector PsAvh240 inhibits a host aspartic protease secretion to promote infection.
Mol Plant, 2019
6QGE
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GALECTIN-3C IN COMPLEX WITH A PAIR OF ENANTIOMERIC LIGANDS: S ENANTIOMER
Descriptor:Galectin-3, (2~{S},3~{R},4~{S},5~{R},6~{R})-4-[4-(3-fluorophenyl)-1,2,3-triazol-1-yl]-2-[(2~{S})-3-[4-(3-fluorophenyl)-1,2,3-triazol-1-yl]-2-oxidanyl-propyl]sulfanyl-6-(hydroxymethyl)oxane-3,5-diol
Authors:Manzoni, F., Verteramo, M.L., Oksanen, E., Nilsson, U.J., Logan, D.T.
Deposit date:2019-01-11
Release date:2019-01-23
Last modified:2019-02-13
Method:X-RAY DIFFRACTION (1.16 Å)
Cite:Interplay between Conformational Entropy and Solvation Entropy in Protein-Ligand Binding.
J. Am. Chem. Soc., 141, 2019
6QGF
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GALECTIN-3C IN COMPLEX WITH A PAIR OF ENANTIOMERIC LIGANDS: R ENANTIOMER
Descriptor:Galectin-3, (2~{S},3~{R},4~{S},5~{R},6~{R})-4-[4-(3-fluorophenyl)-1,2,3-triazol-1-yl]-2-[(2~{R})-3-[4-(3-fluorophenyl)-1,2,3-triazol-1-yl]-2-oxidanyl-propyl]sulfanyl-6-(hydroxymethyl)oxane-3,5-diol
Authors:Manzoni, F., Verteramo, M.L., Oksanen, E., Nilsson, U.J., Logan, D.T.
Deposit date:2019-01-11
Release date:2019-01-23
Last modified:2019-02-13
Method:X-RAY DIFFRACTION (1.34 Å)
Cite:Interplay between Conformational Entropy and Solvation Entropy in Protein-Ligand Binding.
J. Am. Chem. Soc., 141, 2019
6IBX
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HUMAN PFKFB3 IN COMPLEX WITH A N-ARYL 6-AMINOQUINOXALINE INHIBITOR 5
Descriptor:6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3, 3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-~{N}-[(3~{S})-1-methylpiperidin-3-yl]pyridine-4-carboxamide, PYROPHOSPHATE 2-, ...
Authors:Banaszak, K., Pawlik, H., Bialas, A., Fabritius, C.H., Nowak, M.
Deposit date:2018-12-01
Release date:2019-01-23
Last modified:2019-02-13
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:Synthesis of amide and sulfonamide substituted N-aryl 6-aminoquinoxalines as PFKFB3 inhibitors with improved physicochemical properties.
Bioorg. Med. Chem. Lett., 29, 2019
6IBY
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HUMAN PFKFB3 IN COMPLEX WITH A N-ARYL 6-AMINOQUINOXALINE INHIBITOR 6
Descriptor:6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3, 3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-~{N}-[(3~{S})-1-methylpyrrolidin-3-yl]pyridine-4-carboxamide, PYROPHOSPHATE 2-, ...
Authors:Banaszak, K., Pawlik, H., Bialas, A., Fabritius, C.H., Nowak, M.
Deposit date:2018-12-01
Release date:2019-01-23
Last modified:2019-02-13
Method:X-RAY DIFFRACTION (2.51 Å)
Cite:Synthesis of amide and sulfonamide substituted N-aryl 6-aminoquinoxalines as PFKFB3 inhibitors with improved physicochemical properties.
Bioorg. Med. Chem. Lett., 29, 2019
6IBZ
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HUMAN PFKFB3 IN COMPLEX WITH A N-ARYL 6-AMINOQUINOXALINE INHIBITOR 7
Descriptor:6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3, PHOSPHATE ION, CITRATE ANION, ...
Authors:Banaszak, K., Tomczyk, M., Guzik, P., Fabritius, C.H., Nowak, M.
Deposit date:2018-12-01
Release date:2019-01-23
Last modified:2019-02-13
Method:X-RAY DIFFRACTION (2.44 Å)
Cite:Synthesis of amide and sulfonamide substituted N-aryl 6-aminoquinoxalines as PFKFB3 inhibitors with improved physicochemical properties.
Bioorg. Med. Chem. Lett., 29, 2019
6IC0
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HUMAN PFKFB3 IN COMPLEX WITH A N-ARYL 6-AMINOQUINOXALINE INHIBITOR 4
Descriptor:6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3, 3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-~{N}-pyrimidin-5-yl-pyridine-4-carboxamide, PYROPHOSPHATE 2-, ...
Authors:Banaszak, K., Pawlik, H., Bialas, A., Fabritius, C.H., Nowak, M.
Deposit date:2018-12-01
Release date:2019-01-23
Last modified:2019-02-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Synthesis of amide and sulfonamide substituted N-aryl 6-aminoquinoxalines as PFKFB3 inhibitors with improved physicochemical properties.
Bioorg. Med. Chem. Lett., 29, 2019
6N6T
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OXA-23 MUTANT F110A/M221A LOW PH FORM
Descriptor:Beta-lactamase oxa23, CITRATE ANION
Authors:Smith, C.A., Vakulenko, S.B.
Deposit date:2018-11-27
Release date:2018-12-19
Last modified:2019-02-13
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Role of the Hydrophobic Bridge in the Carbapenemase Activity of Class D beta-Lactamases.
Antimicrob. Agents Chemother., 63, 2019
6N6U
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OXA-23 MUTANT F110A/M221A LOW PH FORM IMIPENEM COMPLEX
Descriptor:Beta-lactamase, Imipenem
Authors:Smith, C.A., Vakulenko, S.B.
Deposit date:2018-11-27
Release date:2018-12-19
Last modified:2019-02-13
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Role of the Hydrophobic Bridge in the Carbapenemase Activity of Class D beta-Lactamases.
Antimicrob. Agents Chemother., 63, 2019
6N6V
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OXA-23 MUTANT F110A/M221A LOW PH FORM MEROPENEM COMPLEX
Descriptor:Beta-lactamase, meropenem, bound form
Authors:Smith, C.A., Vakulenko, S.B.
Deposit date:2018-11-27
Release date:2018-12-19
Last modified:2019-02-13
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Role of the Hydrophobic Bridge in the Carbapenemase Activity of Class D beta-Lactamases.
Antimicrob. Agents Chemother., 63, 2019
6N6W
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OXA-23 MUTANT F110A/M221A NEUTRAL PH FORM
Descriptor:Beta-lactamase oxa23
Authors:Smith, C.A., Vakulenko, S.B.
Deposit date:2018-11-27
Release date:2018-12-19
Last modified:2019-02-13
Method:X-RAY DIFFRACTION (3.25 Å)
Cite:Role of the Hydrophobic Bridge in the Carbapenemase Activity of Class D beta-Lactamases.
Antimicrob. Agents Chemother., 63, 2019
6N6X
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OXA-23 MUTANT F110A/M221A NEUTRAL PH FORM IMIPENEM COMPLEX
Descriptor:Beta-lactamase oxa23, Imipenem, SULFATE ION
Authors:Smith, C.A., Vakulenko, S.B.
Deposit date:2018-11-27
Release date:2018-12-19
Last modified:2019-02-13
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Role of the Hydrophobic Bridge in the Carbapenemase Activity of Class D beta-Lactamases.
Antimicrob. Agents Chemother., 63, 2019
6N6Y
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OXA-23 MUTANT F110A/M221A NEUTRAL PH FORM MEROPENEM COMPLEX
Descriptor:Beta-lactamase oxa23, meropenem, bound form
Authors:Smith, C.A., Vakulenko, S.B.
Deposit date:2018-11-27
Release date:2018-12-19
Last modified:2019-02-13
Method:X-RAY DIFFRACTION (3.501 Å)
Cite:Role of the Hydrophobic Bridge in the Carbapenemase Activity of Class D beta-Lactamases.
Antimicrob. Agents Chemother., 63, 2019
6I8N
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CRYSTAL STRUCTURE OF LMRR WITH V15 REPLACED BY UNNATURAL AMINO ACID 4-AMINO-L-PHENYLALANINE
Descriptor:Transcriptional regulator, PadR-like family, 3[N-MORPHOLINO]PROPANE SULFONIC ACID
Authors:Reddem, R., Thunnissen, A.M.W.H.
Deposit date:2018-11-20
Release date:2019-01-02
Last modified:2019-02-13
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Directed Evolution of a Designer Enzyme Featuring an Unnatural Catalytic Amino Acid.
Angew. Chem. Int. Ed. Engl., 58, 2019
6I7W
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STRUCTURE OF THE PERIPLASMIC BINDING PROTEIN (PBP) ACCA IN COMPLEX WITH 2-GLUCOSE-2-O-LACTIC ACID PHOSPHATE (G2LP) FROM AGROBACTERIUM FABRUM C58
Descriptor:ABC transporter, substrate binding protein (Agrocinopines A and B), [(2~{S})-1,1-bis(oxidanyl)propan-2-yl] [(2~{R},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-2,4,5-tris(oxidanyl)oxan-3-yl] hydrogen phosphate, ...
Authors:Morera, S., Vigouroux, A., El Sahili, A.
Deposit date:2018-11-19
Release date:2019-01-23
Last modified:2019-02-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Synthesis of a non-natural glucose-2-phosphate ester able to dupe the acc system of Agrobacterium fabrum.
Org. Biomol. Chem., 17, 2019
6ISA
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MCD226
Descriptor:CD226 antigen
Authors:Wang, H., Qi, J., Zhang, S., Li, Y., Tan, S., Gao, G.F.
Deposit date:2018-11-16
Release date:2018-12-26
Last modified:2019-02-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Binding mode of the side-by-side two-IgV molecule CD226/DNAM-1 to its ligand CD155/Necl-5.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
6ISB
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CRYSTAL STRUCTURE OF HUMAN CD226
Descriptor:CD226 antigen
Authors:Wang, H., Qi, J., Zhang, S., Li, Y., Tan, S., Gao, G.F.
Deposit date:2018-11-16
Release date:2018-12-26
Last modified:2019-02-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Binding mode of the side-by-side two-IgV molecule CD226/DNAM-1 to its ligand CD155/Necl-5.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
6ISC
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COMPLEX STRUCTURE OF MCD226-ECTO AND HCD155-D1
Descriptor:CD226 antigen, Poliovirus receptor, N-ACETYL-D-GLUCOSAMINE
Authors:Wang, H., Qi, J., Zhang, S., Li, Y., Tan, S., Gao, G.F.
Deposit date:2018-11-16
Release date:2018-12-26
Last modified:2019-02-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Binding mode of the side-by-side two-IgV molecule CD226/DNAM-1 to its ligand CD155/Necl-5.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
6I74
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GALECTIN-3C IN COMPLEX WITH SUBSTITUTED POLYFLUOROARYL MONOTHIOGALACTOSIDE DERIVATIVE 1
Descriptor:Galectin-3, (2~{R},3~{R},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-(4-methylphenyl)sulfanyl-4-[4-[2,3,4,5,6-pentakis(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxane-3,5-diol
Authors:Kumar, R., Peterson, K., Nilsson, U.J., Logan, D.T.
Deposit date:2018-11-15
Release date:2019-01-23
Last modified:2019-02-13
Method:X-RAY DIFFRACTION (0.959 Å)
Cite:Substituted polyfluoroaryl interactions with an arginine side chain in galectin-3 are governed by steric-, desolvation and electronic conjugation effects.
Org. Biomol. Chem., 17, 2019
6I75
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GALECTIN-3C IN COMPLEX WITH SUBSTITUTED POLYFLUOROARYL MONOTHIOGALACTOSIDE DERIVATIVE 2
Descriptor:Galectin-3, (2~{R},3~{R},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-(4-methylphenyl)sulfanyl-4-[4-[2,3,5,6-tetrakis(fluoranyl)-4-oxidanyl-phenyl]-1,2,3-triazol-1-yl]oxane-3,5-diol
Authors:Kumar, R., Peterson, K., Nilsson, U.J., Logan, D.T.
Deposit date:2018-11-15
Release date:2019-01-23
Last modified:2019-02-13
Method:X-RAY DIFFRACTION (1.171 Å)
Cite:Substituted polyfluoroaryl interactions with an arginine side chain in galectin-3 are governed by steric-, desolvation and electronic conjugation effects.
Org. Biomol. Chem., 17, 2019
6I76
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GALECTIN-3C IN COMPLEX WITH SUBSTITUTED POLYFLUOROARYL MONOTHIOGALACTOSIDE DERIVATIVE-3
Descriptor:Galectin-3, (2~{R},3~{R},4~{S},5~{R},6~{S})-4-[4-[4-azido-2,3,5,6-tetrakis(fluoranyl)phenyl]-1,2,3-triazol-1-yl]-2-(hydroxymethyl)-6-(4-methylphenyl)sulfanyl-oxane-3,5-diol
Authors:Kumar, R., Peterson, K., Nilsson, U.J., Logan, D.T.
Deposit date:2018-11-15
Release date:2019-01-23
Last modified:2019-02-13
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Substituted polyfluoroaryl interactions with an arginine side chain in galectin-3 are governed by steric-, desolvation and electronic conjugation effects.
Org. Biomol. Chem., 17, 2019
6I77
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GALECTIN-3C IN COMPLEX WITH SUBSTITUTED POLYFLUOROARYL MONOTHIOGALACTOSIDE DERIVATIVE-4
Descriptor:Galectin-3, (2~{R},3~{R},4~{S},5~{R},6~{S})-4-[4-[4-azanyl-2,3,5,6-tetrakis(fluoranyl)phenyl]-1,2,3-triazol-1-yl]-2-(hydroxymethyl)-6-(4-methylphenyl)sulfanyl-oxane-3,5-diol
Authors:Kumar, R., Peterson, K., Nilsson, U.J., Logan, D.T.
Deposit date:2018-11-15
Release date:2019-01-23
Last modified:2019-02-13
Method:X-RAY DIFFRACTION (1.219 Å)
Cite:Substituted polyfluoroaryl interactions with an arginine side chain in galectin-3 are governed by steric-, desolvation and electronic conjugation effects.
Org. Biomol. Chem., 17, 2019
6I78
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GALECTIN-3C IN COMPLEX WITH SUBSTITUTED POLYFLUOROARYL MONOTHIOGALACTOSIDE DERIVATIVE 5
Descriptor:Galectin-3, (2~{R},3~{R},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-(4-methylphenyl)sulfanyl-4-[4-[2,3,5,6-tetrakis(fluoranyl)-4-(methylamino)phenyl]-1,2,3-triazol-1-yl]oxane-3,5-diol
Authors:Kumar, R., Peterson, K., Nilsson, U.J., Logan, D.T.
Deposit date:2018-11-15
Release date:2019-01-23
Last modified:2019-02-13
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:Substituted polyfluoroaryl interactions with an arginine side chain in galectin-3 are governed by steric-, desolvation and electronic conjugation effects.
Org. Biomol. Chem., 17, 2019
6N2G
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CRYSTAL STRUCTURE OF CAENORHABDITIS ELEGANS NAP1
Descriptor:Nucleosome Assembly Protein
Authors:Bhattacharyya, S., DArcy, S.
Deposit date:2018-11-13
Release date:2019-01-30
Last modified:2019-02-13
Method:X-RAY DIFFRACTION (3.003 Å)
Cite:Characterization of Caenorhabditis elegans Nucleosome Assembly Protein 1 Uncovers the Role of Acidic Tails in Histone Binding.
Biochemistry, 58, 2019
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