Mine: Updated entries

6E1Z
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DISPLACEMENT OF WDR5 FROM CHROMATIN BY A PHARMACOLOGICAL WIN SITE INHIBITOR WITH PICOMOLAR AFFINITY
Descriptor:WD repeat-containing protein 5, 5-[(1H-imidazol-1-yl)methyl]furan-2-carboxylic acid
Authors:Phan, J., Fesik, S.W.
Deposit date:2018-07-10
Release date:2019-03-13
Last modified:2019-03-20
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Displacement of WDR5 from Chromatin by a WIN Site Inhibitor with Picomolar Affinity.
Cell Rep, 26, 2019
5T39
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CRYSTAL STRUCTURE OF THE N-TERMINAL DOMAIN OF EVDMO1 IN THE PRESENCE OF SAH AND D-FUCOSE
Descriptor:EvdMO1, S-ADENOSYL-L-HOMOCYSTEINE
Authors:McCulloch, K.M., Starbird, C.A., Chen, Q., Perry, N.A., Berndt, S., Yamakawa, I., Loukachevitch, L.V., Iverson, T.M.
Deposit date:2016-08-25
Release date:2017-09-06
Last modified:2019-03-20
Method:X-RAY DIFFRACTION (1.1004 Å)
Cite:The Structure of the Bifunctional Everninomicin Biosynthetic Enzyme EvdMO1 Suggests Independent Activity of the Fused Methyltransferase-Oxidase Domains.
Biochemistry, 57, 2018
3TOH
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HIV-1 PROTEASE - EPOXYDIC INHIBITOR COMPLEX (PH 9 - ORTHOROMBIC CRYSTAL FORM P212121)
Descriptor:Gag-Pol polyprotein, (S)-N-((2S,3S,4R,5R)-4-amino-3,5-dihydroxy-1,6-diphenylhexan-2-yl)-3-methyl-2-(2-phenoxyacetamido)butanamide, DIMETHYL SULFOXIDE
Authors:Geremia, S., Olajuyigbe, F.M., Demitri, N.
Deposit date:2011-09-05
Release date:2012-08-15
Last modified:2019-03-20
Method:X-RAY DIFFRACTION (1.116 Å)
Cite:Developing HIV-1 Protease Inhibitors through Stereospecific Reactions in Protein Crystals.
Molecules, 21, 2016
6EAT
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CRYSTALLOGRAPHIC STRUCTURE OF THE CYCLIC NONAPEPTIDE DERIVED FROM THE BTCI INHIBITOR BOUND TO BETA-TRYPSIN IN SPACE GROUP P 21 21 21.
Descriptor:Cationic trypsin, 9MER-PEPTIDE, CALCIUM ION, ...
Authors:Fernandes, J.C., Valadares, N.F., Freitas, S.M., Barbosa, J.A.R.G.
Deposit date:2018-08-03
Release date:2019-03-13
Last modified:2019-03-20
Method:X-RAY DIFFRACTION (1.149 Å)
Cite:Crystallographic structure of a complex between trypsin and a nonapeptide derived from a Bowman-Birk inhibitor found in Vigna unguiculata seeds.
Arch. Biochem. Biophys., 665, 2019
5T38
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CRYSTAL STRUCTURE OF THE N-TERMINAL DOMAIN OF EVDMO1 WITH SAH BOUND
Descriptor:EvdMO1, S-ADENOSYL-L-HOMOCYSTEINE
Authors:McCulloch, K.M., Berndt, S., Yamakawa, I., Chen, Q., Loukachevitch, L.V., Starbird, C., Perry, N.A., Iverson, T.M.
Deposit date:2016-08-25
Release date:2017-09-06
Last modified:2019-03-20
Method:X-RAY DIFFRACTION (1.1502 Å)
Cite:The Structure of the Bifunctional Everninomicin Biosynthetic Enzyme EvdMO1 Suggests Independent Activity of the Fused Methyltransferase-Oxidase Domains.
Biochemistry, 57, 2018
6I9A
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PORPHYROMONAS GINGIVALIS GINGIPAIN K (KGP) IN COMPLEX WITH INHIBITOR KYT-36
Descriptor:Lys-gingipain W83, UNKNOWN ATOM OR ION, SODIUM ION, ...
Authors:Gomis-Ruth, F.X., Guevara, T., Rofdriguez-Banqueri, A.
Deposit date:2018-11-22
Release date:2019-03-13
Last modified:2019-03-20
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Structural determinants of inhibition of Porphyromonas gingivalis gingipain K by KYT-36, a potent, selective, and bioavaliable peptidase inhibitor.
Sci Rep, 9, 2019
6E1Y
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DISCOVERY OF POTENT 2-ARYL-6,7-DIHYDRO-5HPYRROLO[ 1,2-A]IMIDAZOLES AS WDR5 WIN-SITE INHIBITORS USING FRAGMENT-BASED METHODS AND STRUCTURE-BASED DESIGN
Descriptor:WD repeat-containing protein 5, N-[(1S)-1-(3-chlorophenyl)ethyl]-3-{[(4,5-dihydro-1H-imidazol-2-yl)amino]methyl}benzamide
Authors:Phan, J., Fesik, S.W.
Deposit date:2018-07-10
Release date:2019-03-13
Last modified:2019-03-20
Method:X-RAY DIFFRACTION (1.219 Å)
Cite:Displacement of WDR5 from Chromatin by a WIN Site Inhibitor with Picomolar Affinity.
Cell Rep, 26, 2019
3TOG
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HIV-1 PROTEASE - EPOXYDIC INHIBITOR COMPLEX (PH 9 - MONOCLINIC CRYSTAL FORM P21)
Descriptor:Gag-Pol polyprotein, DIMETHYL SULFOXIDE, (S)-N-((2S,3S,4R,5R)-4-amino-3,5-dihydroxy-1,6-diphenylhexan-2-yl)-3-methyl-2-(2-phenoxyacetamido)butanamide
Authors:Geremia, S., Olajuyigbe, F.M., Demitri, N.
Deposit date:2011-09-05
Release date:2012-08-15
Last modified:2019-03-20
Method:X-RAY DIFFRACTION (1.24 Å)
Cite:Developing HIV-1 Protease Inhibitors through Stereospecific Reactions in Protein Crystals.
Molecules, 21, 2016
5Z37
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CRYSTAL STRUCTURE OF ABRIN A CHAIN (RECOMBINANT) AT 1.3 ANGSTROMS
Descriptor:Abrin A-chain, IMIDAZOLE
Authors:Bansia, H., Karande, A.A., Ramakumar, S.
Deposit date:2018-01-05
Release date:2019-01-02
Last modified:2019-03-20
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Structural basis for neutralization of cytotoxic abrin by monoclonal antibody D6F10.
FEBS J., 286, 2019
6HY3
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THREE-DIMENSIONAL STRUCTURE OF AGAC FROM ZOBELLIA GALACTANIVORANS
Descriptor:Beta-agarase C, MAGNESIUM ION, GLYCEROL, ...
Authors:Naretto, A., Fanuel, M., Ropartz, D., Rogniaux, H., Larocque, R., Czjzek, M., Tellier, C., Michel, G.
Deposit date:2018-10-19
Release date:2019-03-13
Last modified:2019-03-20
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:The agar-specific hydrolaseZgAgaC from the marine bacteriumZobellia galactanivoransdefines a new GH16 protein subfamily.
J.Biol.Chem., 2019
3TOF
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HIV-1 PROTEASE - EPOXYDIC INHIBITOR COMPLEX (PH 6 - ORTHOROMBIC CRYSTAL FORM P212121)
Descriptor:Gag-Pol polyprotein, (S)-N-((1R,2S)-1-((2R,3R)-3-benzyloxiran-2-yl)-1-hydroxy-3-phenylpropan-2-yl)-3-methyl-2-(2-phenoxyacetamido)butanamide, ACETATE ION, ...
Authors:Geremia, S., Olajuyigbe, F.M., Ajele, J.O., Demitri, N., Randaccio, L., Wuerges, J., Benedetti, L., Campaner, P., Berti, F.
Deposit date:2011-09-05
Release date:2012-08-15
Last modified:2019-03-20
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Developing HIV-1 Protease Inhibitors through Stereospecific Reactions in Protein Crystals.
Molecules, 21, 2016
6I18
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CRYSTAL STRUCTURE OF FASCIN IN COMPLEX WITH BDP-13176
Descriptor:Fascin, ACETATE ION, 1,2-ETHANEDIOL, ...
Authors:Schuettelkopf, A.W.
Deposit date:2018-10-27
Release date:2019-02-27
Last modified:2019-03-20
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:Structure-based design, synthesis and biological evaluation of a novel series of isoquinolone and pyrazolo[4,3-c]pyridine inhibitors of fascin 1 as potential anti-metastatic agents.
Bioorg.Med.Chem.Lett., 29, 2019
6A76
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CRYSTAL STRUCTURE OF THE FAB FRAGMENT OF B5209B, A MURINE MONOCLONAL ANTIBODY SPECIFIC FOR THE FIFTH IMMUNOGLOBULIN DOMAIN (IG5) OF HUMAN ROBO1
Descriptor:Light chain of the anti-human Robo1 antibody B5209B Fab, Heavy chain of the anti-human Robo1 antibody B5209B Fab, GLYCEROL, ...
Authors:Mizohata, E., Nakayama, T., Kado, Y., Inoue, T.
Deposit date:2018-07-02
Release date:2019-01-30
Last modified:2019-03-20
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Affinity Improvement of a Cancer-Targeted Antibody through Alanine-Induced Adjustment of Antigen-Antibody Interface.
Structure, 27, 2019
6I17
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CRYSTAL STRUCTURE OF FASCIN IN COMPLEX WITH COMPOUND 24
Descriptor:Fascin, ACETATE ION, 1,2-ETHANEDIOL, ...
Authors:Schuettelkopf, A.W.
Deposit date:2018-10-27
Release date:2019-02-27
Last modified:2019-03-20
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:Structure-based design, synthesis and biological evaluation of a novel series of isoquinolone and pyrazolo[4,3-c]pyridine inhibitors of fascin 1 as potential anti-metastatic agents.
Bioorg.Med.Chem.Lett., 29, 2019
5OSR
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THE CRYSTAL STRUCTURE OF CK2ALPHA IN COMPLEX WITH AN ANALOGUE OF COMPOUND 1
Descriptor:Casein kinase II subunit alpha, ACETATE ION, ADENOSINE-5'-TRIPHOSPHATE, ...
Authors:Brear, P., De Fusco, C., Iegre, J., Yoshida, M., Mitchell, S., Rossmann, M., Carro, L., Sore, H., Hyvonen, M., Spring, D.
Deposit date:2017-08-18
Release date:2018-09-05
Last modified:2019-03-20
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:Second-generation CK2 alpha inhibitors targeting the alpha D pocket.
Chem Sci, 9, 2018
5OTP
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THE CRYSTAL STRUCTURE OF CK2ALPHA IN COMPLEX WITH AN ANALOGUE OF COMPOUND 22
Descriptor:Casein kinase II subunit alpha, ACETATE ION, DIMETHYL SULFOXIDE, ...
Authors:Brear, P., De Fusco, C., Iegre, J., Yoshida, M., Mitchell, S., Rossmann, M., Carro, L., Sore, H., Hyvonen, M., Spring, D.
Deposit date:2017-08-22
Release date:2018-09-05
Last modified:2019-03-20
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:Second-generation CK2 alpha inhibitors targeting the alpha D pocket.
Chem Sci, 9, 2018
6N87
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PLASMODIUM FALCIPARUM FVO APICAL MEMBRANE ANTIGEN 1 (AMA1) BOUND TO MTSL SPIN-LABELLED CYCLISED RON2 PEPTIDE
Descriptor:Apical membrane antigen-1, backbone-cyclised peptide bcRON2hp, S-[(1-oxyl-2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrol-3-yl)methyl] methanesulfonothioate
Authors:McGowan, S., Drinkwater, N.
Deposit date:2018-11-28
Release date:2019-01-30
Last modified:2019-03-20
Method:X-RAY DIFFRACTION (1.588 Å)
Cite:Identification of the Binding Site of Apical Membrane Antigen 1 (AMA1) Inhibitors Using a Paramagnetic Probe.
ChemMedChem, 14, 2019
4X8E
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ERGOTHIONEINE-BIOSYNTHETIC SULFOXIDE SYNTHASE EGTB IN COMPLEX WITH N,N,N-TRIMETHYL-HISTIDINE
Descriptor:Sulfoxide synthase EgtB, N,N,N-trimethyl-histidine, GLYCEROL, ...
Authors:Vit, A., Goncharenko, K.V., Blankenfeldt, W., Seebeck, F.P.
Deposit date:2014-12-10
Release date:2015-01-28
Last modified:2019-03-20
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structure of the Sulfoxide Synthase EgtB from the Ergothioneine Biosynthetic Pathway.
Angew.Chem.Int.Ed.Engl., 54, 2015
5N6V
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CRYSTAL STRUCTURE OF NEISSERIA POLYSACCHAREA AMYLOSUCRASE MUTANT DERIVED FROM NEUTRAL GENETIC DRIFT-BASED ENGINEERING
Descriptor:Amylosucrase, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, SUCROSE, ...
Authors:Daude, D., Verges, A., Tranier, S.
Deposit date:2017-02-16
Release date:2018-03-07
Last modified:2019-03-20
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Neutral Genetic Drift-Based Engineering of a Sucrose-Utilizing Enzyme toward Glycodiversification.
Acs Catalysis, 2019
5NEP
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THE STRUCTURE OF THE G. VIOLACEUS GUANIDINE II RIBOSWITCH P1 STEM-LOOP WITH METHYLGUANIDINE
Descriptor:RNA (5'-R(*GP*GP*UP*GP*GP*GP*GP*AP*CP*GP*AP*CP*CP*CP*CP*AP*(CBV)P*C)-3'), 1-METHYLGUANIDINE, SULFATE ION, ...
Authors:Huang, L., Wang, J., Lilley, D.M.J.
Deposit date:2017-03-11
Release date:2017-05-31
Last modified:2019-03-20
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:The Structure of the Guanidine-II Riboswitch.
Cell Chem Biol, 24, 2017
5YR5
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HUMAN METHIONINE AMINOPEPTIDASE TYPE 1B (F309L MUTANT) IN COMPLEX WITH OVALICIN
Descriptor:Methionine aminopeptidase 1, COBALT (II) ION, SODIUM ION, ...
Authors:Pillalamarri, V., Arya, T., Addlagatta, A.
Deposit date:2017-11-08
Release date:2018-11-14
Last modified:2019-03-20
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Discovery of Natural Product Ovalicin Sensitive Type 1 Methionine Aminopeptidases: Molecular and Structural Basis.
Biochem. J., 2019
6E22
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DISPLACEMENT OF WDR5 FROM CHROMATIN BY A PHARMACOLOGICAL WIN SITE INHIBITOR WITH PICOMOLAR AFFINITY
Descriptor:WD repeat-containing protein 5, 3-{[(4,5-dihydro-1H-imidazol-2-yl)amino]methyl}-N-[(3,5-dimethoxyphenyl)methyl]-4-fluorobenzamide, SULFATE ION
Authors:Phan, J., Fesik, S.W.
Deposit date:2018-07-10
Release date:2019-03-13
Last modified:2019-03-20
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Displacement of WDR5 from Chromatin by a WIN Site Inhibitor with Picomolar Affinity.
Cell Rep, 26, 2019
6HY2
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STRUCTURE GUIDED DESIGN OF AN ANTIBACTERIAL PEPTIDE THAT TARGETS UDP-N-ACETYLGLUCOSAMINE ACYLTRANSFERASE
Descriptor:Acyl-[acyl-carrier-protein]--UDP-N-acetylglucosamine O-acyltransferase, TRP-MET-LEU-ASP-PRO-ILE-ALA-GLY-LYS-TRP-SER-ARG
Authors:Williams, A.H., Dangkulwanich, M.
Deposit date:2018-10-19
Release date:2019-01-23
Last modified:2019-03-20
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structure guided design of an antibacterial peptide that targets UDP-N-acetylglucosamine acyltransferase.
Sci Rep, 9, 2019
6IMX
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CRYSTAL STRUCTURE OF V30M MUTATED TRANSTHYRETIN IN COMPLEX WITH 18-CROWN-6
Descriptor:Transthyretin, 1,4,7,10,13,16-HEXAOXACYCLOOCTADECANE
Authors:Yokoyama, T., Kosaka, Y., Matsumoto, K., Kitakami, R., Nabeshima, Y., Mizuguchi, M.
Deposit date:2018-10-24
Release date:2019-03-13
Last modified:2019-03-20
Method:X-RAY DIFFRACTION (1.602 Å)
Cite:Crown Ethers as Transthyretin Amyloidogenesis Inhibitors.
J. Med. Chem., 62, 2019
6E5M
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CRYSTALLOGRAPHIC STRUCTURE OF THE CYCLIC NONAPEPTIDE DERIVED FROM THE BTCI INHIBITOR BOUND TO BETA-TRYPSIN IN SPACE GROUP P 32 2 1
Descriptor:Cationic trypsin, 9MER-PEPTIDE, CALCIUM ION, ...
Authors:Fernandes, J.C., Valadares, N.F., Freitas, S.M., Barbosa, J.A.R.G.
Deposit date:2018-07-20
Release date:2019-03-13
Last modified:2019-03-20
Method:X-RAY DIFFRACTION (1.612 Å)
Cite:Crystallographic structure of a complex between trypsin and a nonapeptide derived from a Bowman-Birk inhibitor found in Vigna unguiculata seeds.
Arch. Biochem. Biophys., 665, 2019