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PDB: 372 results

5K51
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BU of 5k51 by Molmil
Trypanosome brucei Hypoxanthine-guanine phosphoribosyltranferase in complex with a 9-[5-(phosphonoheptyl]hypoxanthine
Descriptor: 5-(6-oxidanylidene-3~{H}-purin-9-yl)pentylphosphonic acid, Hypoxanthine-guanine phosphoribosyltransferase
Authors:Teran, D, Guddat, L.
Deposit date:2016-05-22
Release date:2016-11-09
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.956 Å)
Cite:Crystal structures and inhibition of Trypanosoma brucei hypoxanthine-guanine phosphoribosyltransferase.
Sci Rep, 6, 2016
8VS9
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BU of 8vs9 by Molmil
Endogenous trans-translation complex with tmRNA*SmpB in the P site and alanyl-tRNA in the A site and deacyl-tRNA in the E site of E. coli 70S ribosome
Descriptor: 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ...
Authors:Teran, D, Zhang, Y, Korostelev, A.A.
Deposit date:2024-01-23
Release date:2024-05-01
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Endogenous trans-translation structure visualizes the decoding of the first tmRNA alanine codon.
Front Microbiol, 15, 2024
8VSA
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BU of 8vsa by Molmil
Endogenous trans-translation complex with tmRNA*SmpB in the P site and alanyl-tRNA in the A site of E. coli 70S ribosome
Descriptor: 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ...
Authors:Teran, D, Zhang, Y, Korostelev, A.A.
Deposit date:2024-01-23
Release date:2024-05-01
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Endogenous trans-translation structure visualizes the decoding of the first tmRNA alanine codon.
Front Microbiol, 15, 2024
3EUW
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BU of 3euw by Molmil
Crystal Structure of a Myo-inositol dehydrogenase from Corynebacterium glutamicum ATCC 13032
Descriptor: Myo-inositol dehydrogenase, SODIUM ION
Authors:Kumaran, D, Mahmood, A, Burley, S.K, Swaminathan, S, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2008-10-11
Release date:2008-10-21
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal Structure of a Myo-inositol dehydrogenase from Corynebacterium glutamicum ATCC 13032
To be Published
2I9U
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BU of 2i9u by Molmil
Crystal Structure of Guanine Deaminase from C. acetobutylicum with bound guanine in the active site
Descriptor: Cytosine/guanine deaminase related protein, FE (III) ION, GLYCEROL, ...
Authors:Kumaran, D, Burley, S.K, Swaminathan, S, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2006-09-06
Release date:2006-09-19
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Crystal Structure of Guanine Deaminase from C. acetobutylicum with bound guanine in the active site
To be Published
7OSD
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BU of 7osd by Molmil
NMR Solution Structure of Peptide 12: First-in-class cyclic Temporin L analogue with antibacterial and antibiofilm activities
Descriptor: PHE-VAL-PRO-TRP-PHE-LYS-LYS-PHE-DLE-GLU-ARG-ILE-LEU-NH2
Authors:Brancaccio, D, Carotenuto, A.
Deposit date:2021-06-08
Release date:2021-08-11
Last modified:2021-08-25
Method:SOLUTION NMR
Cite:First-in-Class Cyclic Temporin L Analogue: Design, Synthesis, and Antimicrobial Assessment.
J.Med.Chem., 64, 2021
7OS8
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BU of 7os8 by Molmil
NMR SOLUTION STRUCTURE OF [Pro3,DLeu9]TL
Descriptor: PHE-VAL-PRO-TRP-PHE-SER-LYS-PHE-DLE-GLY-ARG-ILE-LEU-NH2
Authors:Brancaccio, D, Carotenuto, A.
Deposit date:2021-06-08
Release date:2021-08-11
Last modified:2021-08-25
Method:SOLUTION NMR
Cite:First-in-Class Cyclic Temporin L Analogue: Design, Synthesis, and Antimicrobial Assessment.
J.Med.Chem., 64, 2021
5OLF
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BU of 5olf by Molmil
Ligand-Based NMR Study of C-X-C Chemokine Receptor Type 4 (CXCR4)-Ligand Interactions in Living Cancer Cells
Descriptor: GBA-ALA-CYS-ARG-PHE-PHE-CYS
Authors:Brancaccio, D, Carotenuto, A.
Deposit date:2017-07-27
Release date:2018-06-06
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Ligand-Based NMR Study of C-X-C Chemokine Receptor Type 4 (CXCR4)-Ligand Interactions on Living Cancer Cells.
J. Med. Chem., 61, 2018
5OJT
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BU of 5ojt by Molmil
Structure-Activity Relationships and Biological Characterization of a Novel, Potent and Serum Stable C-X-C chemokine receptor type 4 (CXCR4) Antagonist
Descriptor: ACE-ARG-ALA-(D)CYS-ARG-BNA-HIS-PEN
Authors:Brancaccio, D, Carotenuto, A.
Deposit date:2017-07-24
Release date:2017-11-22
Last modified:2023-11-15
Method:SOLUTION NMR
Cite:Structure-Activity Relationships and Biological Characterization of a Novel, Potent, and Serum Stable C-X-C Chemokine Receptor Type 4 (CXCR4) Antagonist.
J. Med. Chem., 60, 2017
3N52
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BU of 3n52 by Molmil
crystal Structure analysis of MIP2
Descriptor: C-X-C motif chemokine 2
Authors:Rajasekaran, D.
Deposit date:2010-05-24
Release date:2011-06-08
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:A Model of GAG/MIP-2/CXCR2 Interfaces and Its Functional Effects.
Biochemistry, 51, 2012
6QXB
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BU of 6qxb by Molmil
NMR structure of peptide 7, characterized by a cis-4-amino-Pro residue, with a significant lower MIC on E. coli
Descriptor: PHE-VAL-CAP-TRP-PHE-SER-LYS-PHE-LEU-GLY-ARG-ILE-LEU-NH2
Authors:Brancaccio, D, Carotenuto, A, Merlino, F, Grieco, P, Novellino, E.
Deposit date:2019-03-07
Release date:2019-05-29
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:The Outcomes of Decorated Prolines in the Discovery of Antimicrobial Peptides from Temporin-L.
Chemmedchem, 14, 2019
6QXC
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BU of 6qxc by Molmil
NMR structure of peptide 8, characterized by a trans-4-cyclohexyl-Pro, with a dramatic reduction in activity on E. coli ATCC and lost effect on P. aeruginosa.
Descriptor: PHE-VAL-TCP-TRP-PHE-SER-LYS-PHE-LEU-GLY-ARG-ILE-LEU-NH2
Authors:Brancaccio, D, Carotenuto, A, Merlino, F, Grieco, P, Novellino, E.
Deposit date:2019-03-07
Release date:2019-05-29
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:The Outcomes of Decorated Prolines in the Discovery of Antimicrobial Peptides from Temporin-L.
Chemmedchem, 14, 2019
8GDW
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BU of 8gdw by Molmil
Crystal structure of Domain Related to Iron (DRI) from cyanobacteria
Descriptor: Ssr1698 protein, ZINC ION
Authors:Kumaran, D, Grosjean, N, Blaby, E.C.
Deposit date:2023-03-06
Release date:2024-03-13
Last modified:2024-04-24
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:A hemoprotein with a zinc-mirror heme site ties heme availability to carbon metabolism in cyanobacteria.
Nat Commun, 15, 2024
8GF4
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BU of 8gf4 by Molmil
Crystal structure of Domain Related to Iron (DRI) in complex with heme
Descriptor: PROTOPORPHYRIN IX CONTAINING FE, Ssr1698 protein, ZINC ION
Authors:Kumaran, D, Blaby, E.C.
Deposit date:2023-03-07
Release date:2024-03-13
Last modified:2024-04-24
Method:X-RAY DIFFRACTION (3 Å)
Cite:A hemoprotein with a zinc-mirror heme site ties heme availability to carbon metabolism in cyanobacteria.
Nat Commun, 15, 2024
5IQ6
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BU of 5iq6 by Molmil
Crystal structure of Dengue virus serotype 3 RNA dependent RNA polymerase bound to HeE1-2Tyr, a new pyridobenzothizole inhibitor
Descriptor: N-[8-(cyclohexyloxy)-1-oxo-2-phenyl-1H-pyrido[2,1-b][1,3]benzothiazole-4-carbonyl]-L-tyrosine, RNA dependent RNA polymerase, ZINC ION
Authors:Tarantino, D, Mastrangelo, E, Milani, M.
Deposit date:2016-03-10
Release date:2016-10-05
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (3 Å)
Cite:Targeting flavivirus RNA dependent RNA polymerase through a pyridobenzothiazole inhibitor.
Antiviral Res., 134, 2016
6AR9
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BU of 6ar9 by Molmil
Crystal structure of hypoxanthine-guanine-xanthine phosphorybosyltranferase in complex with [(2-{[2-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)ethyl][(E)-2-phosphonoethenyl]amino}ethoxy)methyl]phosphonic acid
Descriptor: Hypoxanthine-guanine phosphoribosyltransferase, putative, MAGNESIUM ION, ...
Authors:Teran, D, Gudday, L.W.
Deposit date:2017-08-21
Release date:2018-03-14
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Evaluation of the Trypanosoma brucei 6-oxopurine salvage pathway as a potential target for drug discovery.
PLoS Negl Trop Dis, 12, 2018
5JBQ
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BU of 5jbq by Molmil
EF-TU (ESCHERICHIA COLI) IN COMPLEX WITH THIOMURACIN ANALOG
Descriptor: Elongation factor Tu 1, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
Authors:Palestrant, D, Stams, T.
Deposit date:2016-04-13
Release date:2016-07-13
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.006 Å)
Cite:Antibacterial and Solubility Optimization of Thiomuracin A.
J.Med.Chem., 59, 2016
6APU
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BU of 6apu by Molmil
Crystal structure of Trypanosoma brucei hypoxanthine-guanine phosphoribosyltranferase in complex with (2-{[2-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)ethyl](3-aminopropyl)amino}ethyl)phosphonic acid
Descriptor: (2-{[2-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)ethyl](3-aminopropyl)amino}ethyl)phosphonic acid, DI(HYDROXYETHYL)ETHER, Hypoxanthine-guanine phosphoribosyltransferase, ...
Authors:Teran, D, Guddat, L.
Deposit date:2017-08-18
Release date:2018-03-14
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.842 Å)
Cite:Evaluation of the Trypanosoma brucei 6-oxopurine salvage pathway as a potential target for drug discovery.
PLoS Negl Trop Dis, 12, 2018
6AQO
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BU of 6aqo by Molmil
Crystal structure of hypoxanthine-guanine-xanthine phosphorybosyltranferase in complex with {[(2S)-3-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)propane-1,2-diyl]bis(oxyethane-2,1-diyl)}bis(phosphonic acid)
Descriptor: Hypoxanthine-guanine phosphoribosyltransferase, MAGNESIUM ION, {[(2S)-3-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)propane-1,2-diyl]bis(oxyethane-2,1-diyl)}bis(phosphonic acid)
Authors:Teran, D, Gudday, L.W.
Deposit date:2017-08-21
Release date:2018-03-14
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.64 Å)
Cite:Evaluation of the Trypanosoma brucei 6-oxopurine salvage pathway as a potential target for drug discovery.
PLoS Negl Trop Dis, 12, 2018
3K2G
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BU of 3k2g by Molmil
Crystal structure of a Resiniferatoxin-binding protein from Rhodobacter sphaeroides
Descriptor: (2S,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL, MAGNESIUM ION, Resiniferatoxin-binding, ...
Authors:Kumaran, D, Burley, S.K, Swaminathan, S, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2009-09-30
Release date:2009-10-13
Last modified:2021-02-10
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of a Resiniferatoxin-binding protein from Rhodobacter sphaeroides
To be Published
6APT
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BU of 6apt by Molmil
Trypanosoma brucei hypoxanthine guanine phosphoribosyltransferase in complex with {[(2S)-3-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)propane-1,2-diyl]bis(oxyethane-2,1-diyl)}bis(phosphonic acid)
Descriptor: DI(HYDROXYETHYL)ETHER, Hypoxanthine-guanine phosphoribosyltransferase, {[(2S)-3-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)propane-1,2-diyl]bis(oxyethane-2,1-diyl)}bis(phosphonic acid)
Authors:Teran, D, Guddat, L.W.
Deposit date:2017-08-17
Release date:2018-03-14
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.795 Å)
Cite:Evaluation of the Trypanosoma brucei 6-oxopurine salvage pathway as a potential target for drug discovery.
PLoS Negl Trop Dis, 12, 2018
6HVB
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BU of 6hvb by Molmil
NMR structure of Urotensin Peptide Asp-c[Cys-Phe-(N-Me)Trp-Lys-Tyr-Cys]-Val in SDS solution
Descriptor: Urotensin-2
Authors:Brancaccio, D, Carotenuto, A, Merlino, F, Billard, E, Yousif, A.M, Di Maro, S, Abate, L, Bellavita, R, D'Emmanuele di Villa Bianca, R, Santicioli, P, Marinelli, L, Novellino, E, Hebert, T.E, Lubell, W.D, Chatenet, D, Grieco, P.
Deposit date:2018-10-10
Release date:2019-01-16
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Functional Selectivity Revealed by N-Methylation Scanning of Human Urotensin II and Related Peptides.
J.Med.Chem., 62, 2019
6APS
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BU of 6aps by Molmil
Trypanosoma brucei hypoxanthine guanine phosphoribosyltransferase in complex with [(2-((Guanine-9H-yl)methyl)propane-1,3 diyl)bis(oxy)]bis(methylene))diphosphonic acid
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DI(HYDROXYETHYL)ETHER, Hypoxanthine-guanine phosphoribosyltransferase, ...
Authors:Teran, D, Guddat, L.W.
Deposit date:2017-08-17
Release date:2018-03-14
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.762 Å)
Cite:Evaluation of the Trypanosoma brucei 6-oxopurine salvage pathway as a potential target for drug discovery.
PLoS Negl Trop Dis, 12, 2018
6APV
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BU of 6apv by Molmil
Trypanosoma brucei hypoxanthine guanine phosphoribosyltransferase in complex with [(2-{[2-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)ethyl][(E)-2-phosphonoethenyl]amino}ethoxy)methyl]phosphonic acid
Descriptor: DI(HYDROXYETHYL)ETHER, Hypoxanthine-guanine phosphoribosyltransferase, MAGNESIUM ION, ...
Authors:Teran, D, Guddat, L.W.
Deposit date:2017-08-18
Release date:2018-03-14
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.993 Å)
Cite:Evaluation of the Trypanosoma brucei 6-oxopurine salvage pathway as a potential target for drug discovery.
PLoS Negl Trop Dis, 12, 2018
6HVC
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BU of 6hvc by Molmil
NMR structure of Urotensin Peptide Asp-c[Cys-Phe-Trp-(N-Me)Lys-Tyr-Cys]-Val in SDS solution
Descriptor: Urotensin-2
Authors:Brancaccio, D, Carotenuto, A, Merlino, F, Billard, E, Yousif, A.M, Di Maro, S, Abate, L, Bellavita, R, D'Emmanuele di Villa Bianca, R, Santicioli, P, Marinelli, L, Novellino, E, Hebert, T.E, Lubell, W.D, Chatenet, D, Grieco, P.
Deposit date:2018-10-10
Release date:2019-01-16
Last modified:2019-04-24
Method:SOLUTION NMR
Cite:Functional Selectivity Revealed by N-Methylation Scanning of Human Urotensin II and Related Peptides.
J.Med.Chem., 62, 2019

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