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4HCS
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BU of 4hcs by Molmil
Structure of Novel subfamily CX chemokine solved by sulfur SAD
Descriptor: Uncharacterized protein
Authors:Rajasekaran, D, Fan, C, Meng, W, Pflugrath, J.W, Lolis, E.J.
Deposit date:2012-10-01
Release date:2013-10-16
Last modified:2014-04-23
Method:X-RAY DIFFRACTION (1.28 Å)
Cite:Structural insight into the evolution of a new chemokine family from zebrafish.
Proteins, 82, 2014
4Q3F
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BU of 4q3f by Molmil
Human D-DT complexed with tartrate
Descriptor: D-dopachrome decarboxylase, L(+)-TARTARIC ACID
Authors:Rajasekaran, D, Lolis, E.
Deposit date:2014-04-11
Release date:2014-06-04
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Targeting distinct tautomerase sites of D-DT and MIF with a single molecule for inhibition of neutrophil lung recruitment.
Faseb J., 28, 2014
4E3Z
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BU of 4e3z by Molmil
Crystal Structure of a oxidoreductase from Rhizobium etli CFN 42
Descriptor: Putative oxidoreductase protein
Authors:Kumaran, D, Chamala, S, Evans, B, Foti, R, Gizzi, A, Hillerich, B, Kar, A, Lafleur, J, Seidel, R, Villigas, G, Zencheck, W, Almo, S.C, Swaminathan, S, New York Structural Genomics Research Consortium (NYSGRC)
Deposit date:2012-03-11
Release date:2012-03-21
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal Structure of a oxidoreductase from Rhizobium etli CFN 42
To be Published
4QB5
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BU of 4qb5 by Molmil
Crystal structure of a glyoxalase/bleomycin resistance protein from Albidiferax ferrireducens T118
Descriptor: 1,2-ETHANEDIOL, Glyoxalase/bleomycin resistance protein/dioxygenase, SULFATE ION
Authors:Kumaran, D, Chamala, S, Evans, B, Foti, R, Gizzi, A, Hillerich, B, Kar, A, Lafleur, J, Seidel, R, Villigas, G, Zencheck, W, Al Obaidi, N, Almo, S.C, Swaminathan, S, New York Structural Genomics Research Consortium (NYSGRC)
Deposit date:2014-05-06
Release date:2014-07-23
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Crystal structure of a glyoxalase/bleomycin resistance protein from Albidiferax ferrireducens T118
To be Published
4HY3
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BU of 4hy3 by Molmil
Crystal structure of a phosphoglycerate oxidoreductase from rhizobium etli
Descriptor: phosphoglycerate oxidoreductase
Authors:Kumaran, D, Chamala, S, Evans, B, Foti, R, Gizzi, A, Hillerich, B, Kar, A, Lafleur, J, Seidel, R, Villigas, G, Zencheck, W, Almo, S.C, Swaminathan, S, New York Structural Genomics Research Consortium (NYSGRC)
Deposit date:2012-11-12
Release date:2012-12-12
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal structure of a phosphoglycerate oxidoreductase from rhizobium etli
To be Published
4DUP
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BU of 4dup by Molmil
Crystal Structure of a quinone oxidoreductase from Rhizobium etli CFN 42
Descriptor: quinone oxidoreductase
Authors:Kumaran, D, Rice, S, Evans, B, Foti, R, Gizzi, A, Hillerich, B, Kar, A, Lafleur, J, Seidel, R, Villigas, G, Zencheck, W, Almo, S.C, Swaminathan, S, New York Structural Genomics Research Consortium (NYSGRC)
Deposit date:2012-02-22
Release date:2012-03-07
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Crystal Structure of a quinone oxidoreductase from Rhizobium etli CFN 42
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
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
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
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
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
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
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
2QS8
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BU of 2qs8 by Molmil
Crystal structure of a Xaa-Pro dipeptidase with bound methionine in the active site
Descriptor: MAGNESIUM ION, METHIONINE, Xaa-Pro Dipeptidase
Authors:Kumaran, D, Burley, S.K, Swaminathan, S, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2007-07-30
Release date:2007-08-21
Last modified:2021-02-03
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:Functional annotation of two new carboxypeptidases from the amidohydrolase superfamily of enzymes.
Biochemistry, 48, 2009
7UCK
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BU of 7uck by Molmil
80S translation initiation complex with ac4c(-1) mRNA and Harringtonine
Descriptor: 18S rRNA, 28s rRNA, 40S ribosomal protein S10, ...
Authors:Yang, R, Arango, D, Sturgill, D, Oberdoerffer, S.
Deposit date:2022-03-16
Release date:2022-06-01
Last modified:2022-08-17
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Direct epitranscriptomic regulation of mammalian translation initiation through N4-acetylcytidine.
Mol.Cell, 82, 2022
2G59
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BU of 2g59 by Molmil
Crystal Structure of the Catalytic Domain of Protein Tyrosine Phosphatase from Homo sapiens
Descriptor: PHOSPHATE ION, Receptor-type tyrosine-protein phosphatase O
Authors:Kumaran, D, Swaminathan, S, Burley, S.K, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2006-02-22
Release date:2006-03-14
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:Structural genomics of protein phosphatases.
J.Struct.Funct.Genom., 8, 2007

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