Mine: Updated entries

6HSO
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CRYSTAL STRUCTURE OF THE TERNARY COMPLEX OF GEPHE-ADP-GLYCINE RECEPTOR DERIVED PEPTIDE
Descriptor:Gephyrin, Glycine receptor beta subunit derived peptide, (4S)-2-METHYL-2,4-PENTANEDIOL, ...
Authors:Kasaragod, V.B., Schindelin, H.
Deposit date:2018-10-01
Release date:2019-01-16
Last modified:2019-02-13
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Elucidating the Molecular Basis for Inhibitory Neurotransmission Regulation by Artemisinins.
Neuron, 2019
6HV2
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MMP-13 IN COMPLEX WITH THE PEPTIDE IMISF
Descriptor:Collagenase 3, ZINC ION, CALCIUM ION, ...
Authors:Mittl, P., Riedl, R., Hohl, D.
Deposit date:2018-10-10
Release date:2019-01-30
Last modified:2019-02-13
Method:X-RAY DIFFRACTION (1.709 Å)
Cite:Drug Design Inspired by Nature: Crystallographic Detection of an Auto-Tailored Protease Inhibitor Template.
Angew. Chem. Int. Ed. Engl., 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
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
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
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
6IFS
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KSGA FROM BACILLUS SUBTILIS 168
Descriptor:Ribosomal RNA small subunit methyltransferase A
Authors:Bhujbalrao, R., Anand, R.
Deposit date:2018-09-21
Release date:2019-01-30
Last modified:2019-02-13
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Deciphering Determinants in Ribosomal Methyltransferases That Confer Antimicrobial Resistance.
J. Am. Chem. Soc., 141, 2019
6IFT
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KSGA FROM BACILLUS SUBTILIS IN COMPLEX WITH SAM
Descriptor:Ribosomal RNA small subunit methyltransferase A, S-ADENOSYLMETHIONINE
Authors:Bhujbalrao, R., Anand, R.
Deposit date:2018-09-21
Release date:2019-01-30
Last modified:2019-02-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Deciphering Determinants in Ribosomal Methyltransferases That Confer Antimicrobial Resistance.
J. Am. Chem. Soc., 141, 2019
6IFV
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C-TERMINAL TRUNCATED KSGA FROM BACILLUS SUBTILIS 168
Descriptor:Ribosomal RNA small subunit methyltransferase A
Authors:Bhujbalrao, R., Anand, R.
Deposit date:2018-09-21
Release date:2019-01-30
Last modified:2019-02-13
Method:X-RAY DIFFRACTION (3.11 Å)
Cite:Deciphering Determinants in Ribosomal Methyltransferases That Confer Antimicrobial Resistance.
J. Am. Chem. Soc., 141, 2019
6IFW
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CRYSTAL STRUCTURE OF CHIMERIC CONSTRUCT OF KSGA WITH LOOP 1 FROM ERM
Descriptor:Ribosomal RNA small subunit methyltransferase A
Authors:Bhujbalrao, R., Anand, R.
Deposit date:2018-09-21
Release date:2019-01-30
Last modified:2019-02-13
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Deciphering Determinants in Ribosomal Methyltransferases That Confer Antimicrobial Resistance.
J. Am. Chem. Soc., 141, 2019
6IFX
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CRYSTAL STRUCTURE OF CHIMERIC KSGA WITH LOOP 12 FROM ERM
Descriptor:Ribosomal RNA small subunit methyltransferase A
Authors:Bhujbalrao, R., Anand, R.
Deposit date:2018-09-21
Release date:2019-02-06
Last modified:2019-02-13
Method:X-RAY DIFFRACTION (3.8 Å)
Cite:Deciphering Determinants in Ribosomal Methyltransferases That Confer Antimicrobial Resistance.
J. Am. Chem. Soc., 141, 2019
6IG5
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CRYSTAL STRUCTURE OF ARGININOSUCCINATE LYASE FROM MYCOBACTERIUM TUBERCULOSIS
Descriptor:Argininosuccinate lyase
Authors:Chen, X.B., Liu, X.
Deposit date:2018-09-24
Release date:2019-02-06
Last modified:2019-02-13
Method:X-RAY DIFFRACTION (2.078 Å)
Cite:Crystal structure and biochemical study on argininosuccinate lyase from Mycobacterium tuberculosis.
Biochem. Biophys. Res. Commun., 510, 2019
6IGA
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CRYSTAL STRUCTURE OF ARGININOSUCCINATE LYASE FROM MYCOBACTERIUM TUBERCULOSIS
Descriptor:Argininosuccinate lyase, SULFATE ION
Authors:Chen, X.B., Liu, X.
Deposit date:2018-09-25
Release date:2019-02-06
Last modified:2019-02-13
Method:X-RAY DIFFRACTION (2.776 Å)
Cite:Crystal structure and biochemical study on argininosuccinate lyase from Mycobacterium tuberculosis.
Biochem. Biophys. Res. Commun., 510, 2019
6IMF
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CRYSTAL STRUCTURE OF TOXIN/ANTITOXIN COMPLEX
Descriptor:Cysteine-rich venom protein triflin, Small serum protein 2, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ...
Authors:Shioi, N., Tadokoro, T., Shioi, S., Hu, Y., Kurahara, L.H., Okabe, Y., Matsubara, H., Kita, S., Ose, T., Kuroki, K., Maenaka, K., Terada, S.
Deposit date:2018-10-22
Release date:2018-12-12
Last modified:2019-02-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of the complex between venom toxin and serum inhibitor from viperidae snake.
J. Biol. Chem., 2018
6IQ1
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CRYSTAL STRUCTURE OF HISTIDINE TRIAD NUCLEOTIDE-BINDING PROTEIN FROM CANDIDA ALBICANS
Descriptor:Adenosine 5'-monophosphoramidase, ZINC ION
Authors:Jung, A., Yun, J.-S., Chang, J.H.
Deposit date:2018-11-05
Release date:2019-01-30
Last modified:2019-02-13
Method:X-RAY DIFFRACTION (2.485 Å)
Cite:Crystal Structure of Histidine Triad Nucleotide-Binding Protein from the Pathogenic FungusCandida albicans.
Mol. Cells, 42, 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
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