7M2N
 
 | | Crystal structure of Human Lactate Dehydrogenase A with Inhibitor Compound 15 | | Descriptor: | 1,2-ETHANEDIOL, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 5-[(5'-{1-(4-carboxy-1,3-thiazol-2-yl)-5-(cyclopropylmethyl)-4-[(3-fluoro-4-sulfamoylphenyl)methyl]-1H-pyrazol-3-yl}-2'-fluoro[1,1'-biphenyl]-4-yl)oxy]-1H-1,2,3-triazole-4-carboxylic acid, ... | | Authors: | Gumpena, R, Ding, J, Powell, D.A, Lowther, W.T. | | Deposit date: | 2021-03-17 | | Release date: | 2021-07-14 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Dual Glycolate Oxidase/Lactate Dehydrogenase A Inhibitors for Primary Hyperoxaluria
ACS Medicinal Chemistry Letters, 12, 2021
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7M2O
 | | Crystal structure of Human Glycolate Oxidase with Inhibitor Compound 15 | | Descriptor: | 1,2-ETHANEDIOL, 5-[(5'-{1-(4-carboxy-1,3-thiazol-2-yl)-5-(cyclopropylmethyl)-4-[(3-fluoro-4-sulfamoylphenyl)methyl]-1H-pyrazol-3-yl}-2'-fluoro[1,1'-biphenyl]-4-yl)oxy]-1H-1,2,3-triazole-4-carboxylic acid, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Gumpena, R, Ding, J, Powell, D.A, Lowther, W.T. | | Deposit date: | 2021-03-17 | | Release date: | 2021-07-14 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.07 Å) | | Cite: | Dual Glycolate Oxidase/Lactate Dehydrogenase A Inhibitors for Primary Hyperoxaluria
ACS Medicinal Chemistry Letters, 12, 2021
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6D65
 | | Crystal structure of the human dual specificity phosphatase 1 catalytic domain (C258S) as a maltose binding protein fusion in complex with the designed AR protein off7 | | Descriptor: | Designed AR protein off7, ETHANOL, GLYCEROL, ... | | Authors: | Gumpena, R, Lountos, G.T, Waugh, D.S. | | Deposit date: | 2018-04-20 | | Release date: | 2018-09-19 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.348 Å) | | Cite: | MBP-binding DARPins facilitate the crystallization of an MBP fusion protein.
Acta Crystallogr F Struct Biol Commun, 74, 2018
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6D66
 | | Crystal structure of the human dual specificity 1 catalytic domain (C258S) as a maltose binding protein fusion in complex with the designed AR protein mbp3_16 | | Descriptor: | 1,2-ETHANEDIOL, D-ALANINE, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Gumpena, R, Waugh, D.S, Lountos, G.T. | | Deposit date: | 2018-04-20 | | Release date: | 2018-09-19 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.226 Å) | | Cite: | MBP-binding DARPins facilitate the crystallization of an MBP fusion protein.
Acta Crystallogr F Struct Biol Commun, 74, 2018
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6D67
 | | Crystal structure of the human dual specificity phosphatase 1 catalytic domain (C258S) as a maltose binding protein fusion (maltose bound form) in complex with the designed AR protein mbp3_16 | | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Designed AR protein mbp3_16, ... | | Authors: | Gumpena, R, Lountos, G.T, Waugh, D.S. | | Deposit date: | 2018-04-20 | | Release date: | 2018-09-19 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | MBP-binding DARPins facilitate the crystallization of an MBP fusion protein.
Acta Crystallogr F Struct Biol Commun, 74, 2018
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6APX
 | | Crystal structure of human dual specificity phosphatase 1 catalytic domain (C258S) as a maltose binding protein fusion in complex with the monobody YSX1 | | Descriptor: | GLYCEROL, Maltose-binding periplasmic protein,Dual specificity protein phosphatase 1, Monobody YSX1, ... | | Authors: | Gumpena, R, Lountos, G.T, Sreejith, R.K, Tropea, J.E, Cherry, S, Waugh, D.S. | | Deposit date: | 2017-08-18 | | Release date: | 2017-11-01 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.491 Å) | | Cite: | Crystal structure of the human dual specificity phosphatase 1 catalytic domain.
Protein Sci., 27, 2018
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8FW6
 | | Human Lactate Dehydrogenase A in Complex with Inhibitor CHK-336 | | Descriptor: | (2P)-2-{5-(cyclopropylmethyl)-3-(4-fluorophenyl)-4-[(3-fluoro-4-sulfamoylphenyl)methyl]-1H-pyrazol-1-yl}-1,3-thiazole-4-carboxylic acid, 1,2-ETHANEDIOL, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, ... | | Authors: | Lowther, W.T, Gumpena, R. | | Deposit date: | 2023-01-20 | | Release date: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.34 Å) | | Cite: | Human Lactate Dehydrogenase A in complex with inhibitor CHK-336
To Be Published
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3TB5
 | | Crystal Structure of the Enterococcus faecalis Methionine aminopeptidase apo form | | Descriptor: | CITRIC ACID, Methionine aminopeptidase | | Authors: | Kishor, C, Gumpena, R, Reddi, R, Addlagatta, A. | | Deposit date: | 2011-08-05 | | Release date: | 2012-08-08 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural studies of Enterococcus faecalis methionine aminopeptidase and design of microbe specific 2,2'-bipyridine based inhibitors
MEDCHEMCOMM, 3, 2012
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6MNU
 | | Crystal structure of Yersinia pestis UDP-glucose pyrophosphorylase | | Descriptor: | 1,2-ETHANEDIOL, UTP--glucose-1-phosphate uridylyltransferase | | Authors: | Gibbs, M.E, Lountos, G.T, Gumpena, R, Waugh, D.S. | | Deposit date: | 2018-10-03 | | Release date: | 2019-09-11 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.172 Å) | | Cite: | Crystal structure of UDP-glucose pyrophosphorylase from Yersinia pestis, a potential therapeutic target against plague.
Acta Crystallogr.,Sect.F, 75, 2019
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3KED
 | | Crystal structure of Aminopeptidase N in complex with 2,4-diaminobutyric acid | | Descriptor: | 2,4-DIAMINOBUTYRIC ACID, Aminopeptidase N, GLYCEROL, ... | | Authors: | Addlagatta, A, Gumpena, R. | | Deposit date: | 2009-10-25 | | Release date: | 2010-11-03 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Discovery of alpha, beta- and alpha, gamma-Diamino Acid Scaffolds for the Inhibition of M1 Family Aminopeptidases
Chemmedchem, 6, 2011
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3QJX
 | | Crystal Structure of E. coli Aminopeptidase N in complex with L-Serine | | Descriptor: | Aminopeptidase N, GLYCEROL, MALONATE ION, ... | | Authors: | Addlagatta, A, Gumpena, R, Kishor, C, Ganji, R.J. | | Deposit date: | 2011-01-31 | | Release date: | 2011-11-16 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Discovery of alpha, beta- and alpha, gamma-Diamino Acid Scaffolds for the Inhibition of M1 Family Aminopeptidases
Chemmedchem, 6, 2011
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7LJ1
 | | Human Prx1-Srx Decameric Complex | | Descriptor: | 1,2-ETHANEDIOL, ADENOSINE-5'-TRIPHOSPHATE, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Forshaw, T.E, Reisz, J.A, Nelson, K.J, Gumpena, R, Lawson, J.R, Jonsson, T, Wu, H, Clodfelter, J.E, Johnson, L, Furdui, C.M, Lowther, W.T. | | Deposit date: | 2021-01-28 | | Release date: | 2021-07-14 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.97 Å) | | Cite: | Specificity of Human Sulfiredoxin for Reductant and Peroxiredoxin Oligomeric State.
Antioxidants (Basel), 10, 2021
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4IEC
 | | Cys105 covalent modification by 2-hydroxyethyl disulfide in Mycobacterium tuberculosis methionine aminopeptidase Type 1c | | Descriptor: | COBALT (II) ION, Methionine aminopeptidase 2, POTASSIUM ION | | Authors: | Reddi, R, Gumpena, R, Kishor, C, Addlagatta, A. | | Deposit date: | 2012-12-13 | | Release date: | 2013-12-18 | | Last modified: | 2019-11-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Selective targeting of the conserved active site cysteine of Mycobacterium tuberculosis methionine aminopeptidase with electrophilic reagents
Febs J., 281, 2014
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4IF7
 | | Mycobacterium Tuberculosis Methionine aminopeptidase Type 1c in complex with homocysteine-methyl disulfide | | Descriptor: | (2S)-2-amino-4-(methyldisulfanyl)butanoic acid, COBALT (II) ION, Methionine aminopeptidase 2 | | Authors: | Reddi, R, Gumpena, R, Kishor, C, Addlagatta, A. | | Deposit date: | 2012-12-14 | | Release date: | 2013-12-18 | | Last modified: | 2019-11-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Selective targeting of the conserved active site cysteine of Mycobacterium tuberculosis methionine aminopeptidase with electrophilic reagents
Febs J., 281, 2014
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4IDY
 | | Mycobacterium Tuberculosis Methionine aminopeptidase Type 1c in complex with 2-hydroxyethyl disulfide | | Descriptor: | 2-HYDROXYETHYL DISULFIDE, Methionine aminopeptidase 2, POTASSIUM ION | | Authors: | Reddi, R, Gumpena, R, Kishor, C, Addlagatta, A. | | Deposit date: | 2012-12-13 | | Release date: | 2013-12-18 | | Last modified: | 2015-02-04 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Selective targeting of the conserved active site cysteine of Mycobacterium tuberculosis methionine aminopeptidase with electrophilic reagents
Febs J., 281, 2014
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4XO4
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4XN8
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4XN2
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4XN4
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4XN7
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4XND
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4XMU
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4XMZ
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4XN9
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4XNA
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