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PDB: 373 results

2PGW
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BU of 2pgw by Molmil
Crystal structure of a putative muconate cycloisomerase from Sinorhizobium meliloti 1021
Descriptor: GLYCEROL, Muconate cycloisomerase
Authors:Kumaran, D, Burley, S.K, Swaminathan, S, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2007-04-10
Release date:2007-04-24
Last modified:2021-02-03
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Crystal structure of a putative muconate cycloisomerase from Sinorhizobium meliloti 1021
To be Published
1TY8
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BU of 1ty8 by Molmil
Crystal structure of yeast ymx7, an ADP-ribose-1''-monophosphatase, complexed with ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, Hypothetical 32.1 kDa protein in ADH3-RCA1 intergenic region, ...
Authors:Kumaran, D, Swaminathan, S, Burley, S.K, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2004-07-07
Release date:2004-11-30
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:CRYSTAL STRUCTURE OF YEAST HYPOTHETICAL PROTEIN YMX7
To be Published
3BBL
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BU of 3bbl by Molmil
Crystal structure of a regulatory protein of LacI family from Chloroflexus aggregans
Descriptor: 1,2-ETHANEDIOL, Regulatory protein of LacI family
Authors:Kumaran, D, Burley, S.K, Swaminathan, S, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2007-11-09
Release date:2007-11-27
Last modified:2021-02-03
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Crystal structure of a regulatory protein of LacI family from the Chloroflexus aggregans.
To be Published
3BGA
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BU of 3bga by Molmil
Crystal structure of beta-galactosidase from Bacteroides thetaiotaomicron VPI-5482
Descriptor: Beta-galactosidase, CHLORIDE ION, MAGNESIUM ION, ...
Authors:Kumaran, D, Burley, S.K, Swaminathan, S, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2007-11-26
Release date:2007-12-11
Last modified:2021-02-03
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure analysis of beta-galactosidase from Bacteroides thetaiotaomicron VPI-5482.
To be Published
4M1A
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BU of 4m1a by Molmil
Crystal structure of a Domain of unknown function (DUF1904) from Sebaldella termitidis ATCC 33386
Descriptor: Hypothetical protein
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:2013-08-02
Release date:2013-08-14
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of a Domain of unknown function (DUF1904) from Sebaldellatermitidis ATCC 33386
To be Published
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
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
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
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
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
3BPQ
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BU of 3bpq by Molmil
Crystal Structure of RelB-RelE antitoxin-toxin complex from Methanococcus jannaschii
Descriptor: Antitoxin RelB3, Toxin RelE3
Authors:Francuski, D, Saenger, W.
Deposit date:2007-12-19
Release date:2008-12-23
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of the antitoxin-toxin protein complex RelB-RelE from Methanococcus jannaschii
J.Mol.Biol., 393, 2009
3BWI
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BU of 3bwi by Molmil
Crystal structure of the catalytic domain of botulinum neurotoxin serotype A with an acetate ion bound at the active site
Descriptor: ACETATE ION, Botulinum neurotoxin A light chain, SULFATE ION, ...
Authors:Kumaran, D, Rawat, R, Swaminathan, S.
Deposit date:2008-01-09
Release date:2008-04-22
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structure- and Substrate-based Inhibitor Design for Clostridium botulinum Neurotoxin Serotype A
J.Biol.Chem., 283, 2008
3C88
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BU of 3c88 by Molmil
Crystal structure of the catalytic domain of botulinum neurotoxin serotype A with inhibitory peptide RRGC
Descriptor: Botulinum neurotoxin A light chain, Inhibitor peptide RRGC, SODIUM ION, ...
Authors:Kumaran, D, Swaminathan, S.
Deposit date:2008-02-11
Release date:2008-04-22
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structure- and Substrate-based Inhibitor Design for Clostridium botulinum Neurotoxin Serotype A
J.Biol.Chem., 283, 2008
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
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
3DEC
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BU of 3dec by Molmil
Crystal structure of a glycosyl hydrolases family 2 protein from Bacteroides thetaiotaomicron
Descriptor: Beta-galactosidase, POTASSIUM ION
Authors:Kumaran, D, Bonanno, J, Romero, R, Burley, S.K, Swaminathan, S, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2008-06-09
Release date:2008-06-17
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal Structure of a Glycosyl Hydrolases Family 2 protein from Bacteroides thetaiotaomicron.
To be Published
3DDA
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BU of 3dda by Molmil
Crystal structure of the catalytic domain of Botulinum neurotoxin serotype a with a snap-25 peptide
Descriptor: Botulinum neurotoxin A light chain, SULFATE ION, Synaptosomal-associated protein 25, ...
Authors:Kumaran, D, Swaminathan, S.
Deposit date:2008-06-05
Release date:2008-09-16
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Substrate binding mode and its implication on drug design for botulinum neurotoxin A
Plos Pathog., 4, 2008
3DDB
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BU of 3ddb by Molmil
Crystal structure of the catalytic domain of Botulinum neurotoxin serotype a with a substrate analog peptide
Descriptor: Botulinum neurotoxin A light chain, SULFATE ION, Synaptosomal-associated protein 25, ...
Authors:Kumaran, D, Swaminathan, S.
Deposit date:2008-06-05
Release date:2008-09-16
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Substrate binding mode and its implication on drug design for botulinum neurotoxin A
Plos Pathog., 4, 2008
3CIH
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BU of 3cih by Molmil
Crystal structure of a putative alpha-rhamnosidase from Bacteroides thetaiotaomicron
Descriptor: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Putative alpha-rhamnosidase
Authors:Kumaran, D, Burley, S.K, Swaminathan, S, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2008-03-11
Release date:2008-04-01
Last modified:2021-02-03
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:Crystal structure of a putative alpha-rhamnosidase from Bacteroides thetaiotaomicron.
To be Published
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
3C8B
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BU of 3c8b by Molmil
Crystal structure of the catalytic domain of botulinum neurotoxin serotype A with inhibitory peptide RRGI
Descriptor: Botulinum neurotoxin A light chain, Inhibitor peptide RRGI, SULFATE ION, ...
Authors:Kumaran, D, Swaminathan, S.
Deposit date:2008-02-11
Release date:2008-04-22
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Structure- and Substrate-based Inhibitor Design for Clostridium botulinum Neurotoxin Serotype A
J.Biol.Chem., 283, 2008
3C89
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BU of 3c89 by Molmil
Crystal structure of the catalytic domain of botulinum neurotoxin serotype A with inhibitory peptide RRGM
Descriptor: Botulinum neurotoxin A light chain, Inhibitor peptide RRGM, SULFATE ION, ...
Authors:Kumaran, D, Swaminathan, S.
Deposit date:2008-02-11
Release date:2008-04-22
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Structure- and Substrate-based Inhibitor Design for Clostridium botulinum Neurotoxin Serotype A
J.Biol.Chem., 283, 2008

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