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PDB: 42 results

7TYB
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Salicylate Adenylate PchD from Pseudomonas aeruginosa containing salicyl-AMS
Descriptor: 5'-O-[(2-hydroxybenzoyl)sulfamoyl]adenosine, Pyochelin biosynthesis protein PchD
Authors:Meneely, K.M, Shelton, C.L, Lamb, A.L.
Deposit date:2022-02-11
Release date:2022-05-18
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:Rational inhibitor design for Pseudomonas aeruginosa salicylate adenylation enzyme PchD.
J.Biol.Inorg.Chem., 27, 2022
6U4S
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wild type cysteine dioxygenase
Descriptor: Cysteine dioxygenase type 1, FE (III) ION
Authors:Meneely, K.M, Chilton, A.S, Forbes, D.L, Ellis, H.R, Lamb, A.L.
Deposit date:2019-08-26
Release date:2020-07-08
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:The 3-His Metal Coordination Site Promotes the Coupling of Oxygen Activation to Cysteine Oxidation in Cysteine Dioxygenase.
Biochemistry, 59, 2020
6U4L
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cysteine dioxygenase variant - C93E
Descriptor: ACETATE ION, Cysteine dioxygenase type 1, FE (III) ION
Authors:Meneely, K.M, Chilton, A.S, Forbes, D.L, Ellis, H.R, Lamb, A.L.
Deposit date:2019-08-26
Release date:2020-07-08
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.911 Å)
Cite:The 3-His Metal Coordination Site Promotes the Coupling of Oxygen Activation to Cysteine Oxidation in Cysteine Dioxygenase.
Biochemistry, 59, 2020
6U4V
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Non-crosslinked wild type cysteine dioxygenase
Descriptor: Cysteine dioxygenase type 1, FE (III) ION
Authors:Meneely, K.M, Chilton, A.S, Forbes, D.L, Ellis, H.R, Lamb, A.L.
Deposit date:2019-08-26
Release date:2020-07-08
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The 3-His Metal Coordination Site Promotes the Coupling of Oxygen Activation to Cysteine Oxidation in Cysteine Dioxygenase.
Biochemistry, 59, 2020
3T3Z
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BU of 3t3z by Molmil
Human Cytochrome P450 2E1 in complex with pilocarpine
Descriptor: (3S,4R)-3-ethyl-4-[(1-methyl-1H-imidazol-5-yl)methyl]dihydrofuran-2(3H)-one, Cytochrome P450 2E1, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Meneely, K.M, DeVore, N.M, Scott, E.E.
Deposit date:2011-07-25
Release date:2011-12-07
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Structural comparison of cytochromes P450 2A6, 2A13, and 2E1 with pilocarpine.
Febs J., 279, 2012
6XMH
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BU of 6xmh by Molmil
Human aldolase A wild type
Descriptor: Fructose-bisphosphate aldolase A, GLYCEROL, PHOSPHATE ION
Authors:Meneely, K.M, Lamb, A.L.
Deposit date:2020-06-30
Release date:2021-07-07
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Substitutions at a rheostat position in human aldolase A cause a shift in the conformational population.
Protein Sci., 31, 2022
6XMM
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BU of 6xmm by Molmil
Human aldolase A I98S
Descriptor: Fructose-bisphosphate aldolase A, GLYCEROL, PHOSPHATE ION
Authors:Meneely, K.M, Brewer, K, Lamb, A.L.
Deposit date:2020-06-30
Release date:2021-07-07
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:Substitutions at a rheostat position in human aldolase A cause a shift in the conformational population.
Protein Sci., 31, 2022
6XML
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BU of 6xml by Molmil
Human aldolase A I98C
Descriptor: Fructose-bisphosphate aldolase A, GLYCEROL, PHOSPHATE ION
Authors:Meneely, K.M, Brewer, K, Lamb, A.L.
Deposit date:2020-06-30
Release date:2021-07-07
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Substitutions at a rheostat position in human aldolase A cause a shift in the conformational population.
Protein Sci., 31, 2022
6XMO
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Human aldolase A I98F
Descriptor: Fructose-bisphosphate aldolase A, GLYCEROL, PHOSPHATE ION
Authors:Meneely, K.M, Lamb, A.L.
Deposit date:2020-06-30
Release date:2021-07-07
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Substitutions at a rheostat position in human aldolase A cause a shift in the conformational population.
Protein Sci., 31, 2022
3E4E
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BU of 3e4e by Molmil
Human cytochrome P450 2E1 in complex with the inhibitor 4-methylpyrazole
Descriptor: 4-methyl-1H-pyrazole, Cytochrome P450 2E1, PROTOPORPHYRIN IX CONTAINING FE
Authors:Meneely, K.M, Porubsky, P.R, Scott, E.E.
Deposit date:2008-08-11
Release date:2008-09-16
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structures of human cytochrome P450 2E1: insights into the binding of inhibitors and both small molecular weight and fatty acid substrates.
J.Biol.Chem., 283, 2008
5JY4
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A high magnesium structure of the isochorismate synthase, EntC
Descriptor: (5S,6S)-5-[(1-carboxyethenyl)oxy]-6-hydroxycyclohexa-1,3-diene-1-carboxylic acid, Isochorismate synthase EntC, MAGNESIUM ION
Authors:Meneely, K.M, Sundlov, J.A, Gulick, A.M, Lamb, A.L.
Deposit date:2016-05-13
Release date:2016-07-20
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:An Open and Shut Case: The Interaction of Magnesium with MST Enzymes.
J.Am.Chem.Soc., 138, 2016
5JY9
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An iron-bound structure of the salicylate synthase Irp9
Descriptor: ACETATE ION, FE (II) ION, Putative salicylate synthetase, ...
Authors:Meneely, K.M, Lamb, A.L.
Deposit date:2016-05-13
Release date:2016-07-20
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.162 Å)
Cite:An Open and Shut Case: The Interaction of Magnesium with MST Enzymes.
J.Am.Chem.Soc., 138, 2016
5JXZ
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A low magnesium structure of the isochorismate synthase, EntC
Descriptor: (3R,4R)-3-[(1-carboxyethenyl)oxy]-4-hydroxycyclohexa-1,5-diene-1-carboxylic acid, (5S,6S)-5-[(1-carboxyethenyl)oxy]-6-hydroxycyclohexa-1,3-diene-1-carboxylic acid, Isochorismate synthase EntC, ...
Authors:Meneely, K.M, Sundlov, J.A, Gulick, A.M, Lamb, A.L.
Deposit date:2016-05-13
Release date:2016-07-20
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:An Open and Shut Case: The Interaction of Magnesium with MST Enzymes.
J.Am.Chem.Soc., 138, 2016
5JZD
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BU of 5jzd by Molmil
A re-refinement of the isochorismate synthase EntC
Descriptor: (5S,6S)-5-[(1-carboxyethenyl)oxy]-6-hydroxycyclohexa-1,3-diene-1-carboxylic acid, Isochorismate synthase EntC, MAGNESIUM ION
Authors:Meneely, K.M, Lamb, A.L.
Deposit date:2016-05-16
Release date:2016-07-20
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.303 Å)
Cite:An Open and Shut Case: The Interaction of Magnesium with MST Enzymes.
J.Am.Chem.Soc., 138, 2016
5KKC
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l-lactate dehydrogenase from rabbit muscle with the inhibitor 6DHNAD
Descriptor: L-lactate dehydrogenase A chain, SULFATE ION, [[(2~{R},3~{S},4~{R},5~{R})-5-(5-aminocarbonyl-2~{H}-pyridin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate
Authors:Meneely, K.M, Moran, G.R, Lamb, A.L.
Deposit date:2016-06-21
Release date:2016-11-02
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.859 Å)
Cite:Ligand binding phenomena that pertain to the metabolic function of renalase.
Arch.Biochem.Biophys., 612, 2016
5KKA
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BU of 5kka by Molmil
E. coli malate dehydrogenase with the inhibitor 6DHNAD
Descriptor: Malate dehydrogenase, [[(2~{R},3~{S},4~{R},5~{R})-5-(5-aminocarbonyl-2~{H}-pyridin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate
Authors:Meneely, K.M, Lamb, A.L, Moran, G.R.
Deposit date:2016-06-21
Release date:2016-11-02
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Ligand binding phenomena that pertain to the metabolic function of renalase.
Arch.Biochem.Biophys., 612, 2016
5KVS
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BU of 5kvs by Molmil
Substrate Analog and NADP+ bound structure of Irp3, a Thiazolinyl Imine Reductase from Yersinia enterocolitica
Descriptor: (4~{R})-2-[2-(2-hydroxyphenyl)-1,3-thiazol-4-yl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid, 1,2-ETHANEDIOL, FORMIC ACID, ...
Authors:Meneely, K.M, Lamb, A.L.
Deposit date:2016-07-15
Release date:2016-09-21
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.28 Å)
Cite:Holo Structure and Steady State Kinetics of the Thiazolinyl Imine Reductases for Siderophore Biosynthesis.
Biochemistry, 55, 2016
5KVQ
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NADP+ bound structure of Irp3, a Thiazolinyl Imine Reductase from Yersinia enterocolitica
Descriptor: 1,2-ETHANEDIOL, Irp3 protein, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Meneely, K.M, Lamb, A.L.
Deposit date:2016-07-15
Release date:2016-09-21
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Holo Structure and Steady State Kinetics of the Thiazolinyl Imine Reductases for Siderophore Biosynthesis.
Biochemistry, 55, 2016
5JY8
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An iron-bound structure of the isochorismate synthase EntC
Descriptor: (3R,4R)-3-[(1-carboxyethenyl)oxy]-4-hydroxycyclohexa-1,5-diene-1-carboxylic acid, FE (III) ION, Isochorismate synthase EntC
Authors:Meneely, K.M, Sundlov, J.A, Gulick, A.M, Lamb, A.L.
Deposit date:2016-05-13
Release date:2016-07-20
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.942 Å)
Cite:An Open and Shut Case: The Interaction of Magnesium with MST Enzymes.
J.Am.Chem.Soc., 138, 2016
3HHP
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BU of 3hhp by Molmil
Malate dehydrogenase open conformation
Descriptor: Malate dehydrogenase
Authors:Zaitseva, J, Meneely, K.M, Lamb, A.L.
Deposit date:2009-05-15
Release date:2009-09-22
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Structure of Escherichia coli malate dehydrogenase at 1.45 A resolution.
Acta Crystallogr.,Sect.F, 65, 2009
7TZ4
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BU of 7tz4 by Molmil
Salicylate Adenylate PchD from Pseudomonas aeruginosa containing 4-cyanosalicyl-AMS
Descriptor: 5'-O-[(4-cyano-2-hydroxybenzoyl)sulfamoyl]adenosine, Pyochelin biosynthesis salicyl-AMP ligase PchD
Authors:Shelton, C.L, Meneely, K.M, Lamb, A.L.
Deposit date:2022-02-15
Release date:2022-05-18
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Rational inhibitor design for Pseudomonas aeruginosa salicylate adenylation enzyme PchD.
J.Biol.Inorg.Chem., 27, 2022
4GMG
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BU of 4gmg by Molmil
NADP+ bound structure of a Thiazolinyl Imine Reductase from Yersinia enterocolitica (Irp3)
Descriptor: NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Yersiniabactin biosynthetic protein YbtU
Authors:Lamb, A.L, Meneely, K.M.
Deposit date:2012-08-15
Release date:2012-10-31
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:Two Structures of a Thiazolinyl Imine Reductase from Yersinia enterocolitica Provide Insight into Catalysis and Binding to the Nonribosomal Peptide Synthetase Module of HMWP1.
Biochemistry, 51, 2012
4GMF
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Apo Structure of a Thiazolinyl Imine Reductase from Yersinia enterocolitica (Irp3)
Descriptor: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, SULFATE ION, ...
Authors:Lamb, A.L, Meneely, K.M.
Deposit date:2012-08-15
Release date:2012-10-31
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Two Structures of a Thiazolinyl Imine Reductase from Yersinia enterocolitica Provide Insight into Catalysis and Binding to the Nonribosomal Peptide Synthetase Module of HMWP1.
Biochemistry, 51, 2012
8FWY
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BU of 8fwy by Molmil
Crystal structure of the Trypanosoma cruzi hypoxanthine-guanine-xanthine phosphoribosyltransferase (HGXPRT), isoform D, bound to the dead-end complex xanthine and pyrophosphate
Descriptor: Hypoxanthine-guanine phosphoribosyltransferase, PHOSPHATE ION, XANTHINE
Authors:Hughes, R, Meneely, K.M, Glockzin, K, Tyler, P.C, Lamb, A.L, Meek, T.D, Katzfuss, A.
Deposit date:2023-01-23
Release date:2023-07-19
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Kinetic and Structural Characterization of Trypanosoma cruzi Hypoxanthine-Guanine-Xanthine Phosphoribosyltransferases and Repurposing of Transition-State Analogue Inhibitors.
Biochemistry, 62, 2023
8FX3
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Crystal structure of the Trypanosoma cruzi hypoxanthine-guanine-xanthine phosphoribosyltransferase (HGXPRT), isoform D, bound to Immucillin-GP, showing the structure of the complete active site in its open conformation
Descriptor: Hypoxanthine-guanine phosphoribosyltransferase, PHOSPHORIC ACID MONO-[5-(2-AMINO-4-OXO-4,5-DIHYDRO-3H-PYRROLO[3,2-D]PYRIMIDIN-7-YL)-3,4-DIHYDROXY-PYRROLIDIN-2-YLMETHYL] ESTER
Authors:Hughes, R, Meneely, K.M, Glockzin, K, Suthagar, K, Tyler, P.C, Lamb, A.L, Meek, T.D, Katzfuss, A.
Deposit date:2023-01-23
Release date:2023-07-19
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.31 Å)
Cite:Kinetic and Structural Characterization of Trypanosoma cruzi Hypoxanthine-Guanine-Xanthine Phosphoribosyltransferases and Repurposing of Transition-State Analogue Inhibitors.
Biochemistry, 62, 2023

 

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數據於2024-10-30公開中

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