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6NN5
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BU of 6nn5 by Molmil
The structure of human liver pyruvate kinase, hLPYK-W527H
Descriptor: 1,2-ETHANEDIOL, GLYCEROL, Pyruvate kinase PKLR
Authors:McFarlane, J.S, Ronnebaum, T.A, Meneely, K.M, Fenton, A.W, Lamb, A.L.
Deposit date:2019-01-14
Release date:2019-06-19
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.256 Å)
Cite:Changes in the allosteric site of human liver pyruvate kinase upon activator binding include the breakage of an intersubunit cation-pi bond.
Acta Crystallogr.,Sect.F, 75, 2019
6NN8
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BU of 6nn8 by Molmil
The structure of human liver pyruvate kinase, hLPYK-S531E
Descriptor: 1,2-ETHANEDIOL, Pyruvate kinase PKLR
Authors:McFarlane, J.S, Ronnebaum, T.A, Meneely, K.M, Fenton, A.W, Lamb, A.L.
Deposit date:2019-01-14
Release date:2019-06-19
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.416 Å)
Cite:Changes in the allosteric site of human liver pyruvate kinase upon activator binding include the breakage of an intersubunit cation-pi bond.
Acta Crystallogr.,Sect.F, 75, 2019
6NN7
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BU of 6nn7 by Molmil
The structure of human liver pyruvate kinase, hLPYK-GGG
Descriptor: 1,2-ETHANEDIOL, CITRATE ANION, GLYCEROL, ...
Authors:McFarlane, J.S, Ronnebaum, T.A, Meneely, K.M, Fenton, A.W, Lamb, A.L.
Deposit date:2019-01-14
Release date:2019-06-19
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.32 Å)
Cite:Changes in the allosteric site of human liver pyruvate kinase upon activator binding include the breakage of an intersubunit cation-pi bond.
Acta Crystallogr.,Sect.F, 75, 2019
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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BU of 8fx3 by Molmil
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
8FX0
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BU of 8fx0 by Molmil
Crystal structure of the Trypanosoma cruzi hypoxanthine-guanine-xanthine phosphoribosyltransferase (HGXPRT), isoform D, bound to (S)-SerMe-ImmH Phosphonate
Descriptor: Hypoxanthine-guanine phosphoribosyltransferase, [(3R)-4-hydroxy-3-{[(4-oxo-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]amino}butyl]phosphonic acid
Authors:Hughes, R, Meneely, K.M, Glockzin, K, Clinch, 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 (1.52 Å)
Cite:Kinetic and Structural Characterization of Trypanosoma cruzi Hypoxanthine-Guanine-Xanthine Phosphoribosyltransferases and Repurposing of Transition-State Analogue Inhibitors.
Biochemistry, 62, 2023
8FX2
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BU of 8fx2 by Molmil
Crystal structure of the Trypanosoma cruzi hypoxanthine-guanine-xanthine phosphoribosyltransferase (HGXPRT), isoform D, bound to Immucillin-HP
Descriptor: (1S)-1(9-DEAZAHYPOXANTHIN-9YL)1,4-DIDEOXY-1,4-IMINO-D-RIBITOL-5-PHOSPHATE, Hypoxanthine-guanine phosphoribosyltransferase
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 (1.54 Å)
Cite:Kinetic and Structural Characterization of Trypanosoma cruzi Hypoxanthine-Guanine-Xanthine Phosphoribosyltransferases and Repurposing of Transition-State Analogue Inhibitors.
Biochemistry, 62, 2023
8FWZ
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BU of 8fwz by Molmil
Crystal structure of the Trypanosoma cruzi hypoxanthine-guanine-xanthine phosphoribosyltransferase (HGXPRT), isoform D, bound to Hydroxypropyl-Lin-ImmH Phosphonate
Descriptor: Hypoxanthine-guanine phosphoribosyltransferase, PHOSPHATE ION, [(2R)-2-hydroxy-3-{[(4-oxo-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]amino}propyl]phosphonic acid
Authors:Hughes, R, Meneely, K.M, Glockzin, K, Clinch, 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 (1.65 Å)
Cite:Kinetic and Structural Characterization of Trypanosoma cruzi Hypoxanthine-Guanine-Xanthine Phosphoribosyltransferases and Repurposing of Transition-State Analogue Inhibitors.
Biochemistry, 62, 2023
8FX1
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BU of 8fx1 by Molmil
Crystal structure of the Trypanosoma cruzi hypoxanthine-guanine-xanthine phosphoribosyltransferase (HGXPRT), isoform D, bound to (R)-SerMe-ImmH Phosphonate
Descriptor: Hypoxanthine-guanine phosphoribosyltransferase, [(3R)-4-hydroxy-3-{[(4-oxo-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]amino}butyl]phosphonic acid
Authors:Hughes, R, Meneely, K.M, Glockzin, K, Clinch, 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 (1.8 Å)
Cite:Kinetic and Structural Characterization of Trypanosoma cruzi Hypoxanthine-Guanine-Xanthine Phosphoribosyltransferases and Repurposing of Transition-State Analogue Inhibitors.
Biochemistry, 62, 2023
7UF5
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BU of 7uf5 by Molmil
RibB from Vibrio cholera bound with intermediate 2 in the reaction cycle and the products DHBP and formate
Descriptor: (2R)-2-(dihydroxymethyl)-2-hydroxy-3-oxobutyl dihydrogen phosphate, (2R)-2-hydroxy-3-oxobutyl dihydrogen phosphate, 3,4-dihydroxy-2-butanone 4-phosphate synthase, ...
Authors:Kenjic, N, Meneely, K.M, Lamb, A.L.
Deposit date:2022-03-22
Release date:2022-07-20
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Evidence for the Chemical Mechanism of RibB (3,4-Dihydroxy-2-butanone 4-phosphate Synthase) of Riboflavin Biosynthesis.
J.Am.Chem.Soc., 144, 2022
7UEZ
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BU of 7uez by Molmil
Apo RibB from Vibrio cholera
Descriptor: 3,4-dihydroxy-2-butanone 4-phosphate synthase
Authors:Kenjic, N, Meneely, K.M, Lamb, A.L.
Deposit date:2022-03-22
Release date:2022-07-20
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.08 Å)
Cite:Evidence for the Chemical Mechanism of RibB (3,4-Dihydroxy-2-butanone 4-phosphate Synthase) of Riboflavin Biosynthesis.
J.Am.Chem.Soc., 144, 2022
7UF0
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BU of 7uf0 by Molmil
RibB from Vibrio cholera bound with D-ribulose-5-phosphate (D-Ru5P)
Descriptor: 3,4-dihydroxy-2-butanone 4-phosphate synthase, RIBULOSE-5-PHOSPHATE
Authors:Kenjic, N, Meneely, K.M, Lamb, A.L.
Deposit date:2022-03-22
Release date:2022-07-20
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Evidence for the Chemical Mechanism of RibB (3,4-Dihydroxy-2-butanone 4-phosphate Synthase) of Riboflavin Biosynthesis.
J.Am.Chem.Soc., 144, 2022
7UF1
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BU of 7uf1 by Molmil
RibB from Vibrio cholera bound with D-Ribose-5-phosphate (D-R5P) and manganese
Descriptor: 3,4-dihydroxy-2-butanone 4-phosphate synthase, MANGANESE (II) ION, RIBOSE-5-PHOSPHATE
Authors:Kenjic, N, Meneely, K.M, Lamb, A.L.
Deposit date:2022-03-22
Release date:2022-07-20
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Evidence for the Chemical Mechanism of RibB (3,4-Dihydroxy-2-butanone 4-phosphate Synthase) of Riboflavin Biosynthesis.
J.Am.Chem.Soc., 144, 2022
7UF2
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BU of 7uf2 by Molmil
RibB from Vibrio cholera bound with D-xylulose-5-phosphate (D-Xy5P) and manganese
Descriptor: 1,2-ETHANEDIOL, 3,4-dihydroxy-2-butanone 4-phosphate synthase, 5-O-phosphono-D-xylulose, ...
Authors:Kenjic, N, Meneely, K.M, Lamb, A.L.
Deposit date:2022-03-22
Release date:2022-07-20
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2 Å)
Cite:Evidence for the Chemical Mechanism of RibB (3,4-Dihydroxy-2-butanone 4-phosphate Synthase) of Riboflavin Biosynthesis.
J.Am.Chem.Soc., 144, 2022
7UF4
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BU of 7uf4 by Molmil
RibB from Vibrio cholera bound with intermediate 1 of the reaction cycle and D-ribulose-5-phosphate (D-Ru5P)
Descriptor: (2R)-2-hydroxy-3,4-dioxopentyl dihydrogen phosphate, 1,2-ETHANEDIOL, 3,4-dihydroxy-2-butanone 4-phosphate synthase, ...
Authors:Kenjic, N, Meneely, K.M, Lamb, A.L.
Deposit date:2022-03-22
Release date:2022-07-20
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Evidence for the Chemical Mechanism of RibB (3,4-Dihydroxy-2-butanone 4-phosphate Synthase) of Riboflavin Biosynthesis.
J.Am.Chem.Soc., 144, 2022
7UF3
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BU of 7uf3 by Molmil
RibB from Vibrio cholera bound with L-xylulose-5-phosphate (L-Xy5P) and manganese
Descriptor: 3,4-dihydroxy-2-butanone 4-phosphate synthase, L-xylulose-5-phosphate, MANGANESE (II) ION
Authors:Kenjic, N, Meneely, K.M, Lamb, A.L.
Deposit date:2022-03-22
Release date:2022-07-20
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2 Å)
Cite:Evidence for the Chemical Mechanism of RibB (3,4-Dihydroxy-2-butanone 4-phosphate Synthase) of Riboflavin Biosynthesis.
J.Am.Chem.Soc., 144, 2022
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
3S5W
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BU of 3s5w by Molmil
Ornithine Hydroxylase (PvdA) from Pseudomonas aeruginosa
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, L-ornithine 5-monooxygenase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Olucha, J, Lamb, A.L.
Deposit date:2011-05-23
Release date:2011-07-13
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Two Structures of an N-Hydroxylating Flavoprotein Monooxygenase: ORNITHINE HYDROXYLASE FROM PSEUDOMONAS AERUGINOSA.
J.Biol.Chem., 286, 2011
3S61
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BU of 3s61 by Molmil
Reduced Form of Ornithine Hydroxylase (PvdA) from Pseudomonas aeruginosa
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, L-ornithine, L-ornithine 5-monooxygenase, ...
Authors:Olucha, J, Lamb, A.L.
Deposit date:2011-05-23
Release date:2011-07-13
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (3.03 Å)
Cite:Two Structures of an N-Hydroxylating Flavoprotein Monooxygenase: ORNITHINE HYDROXYLASE FROM PSEUDOMONAS AERUGINOSA.
J.Biol.Chem., 286, 2011
5KRQ
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BU of 5krq by Molmil
Renalase in complex with NADPH
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Renalase
Authors:Silvaggi, N.R, Moran, G.R, Roman, J.V.
Deposit date:2016-07-07
Release date:2016-11-02
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.086 Å)
Cite:Ligand binding phenomena that pertain to the metabolic function of renalase.
Arch.Biochem.Biophys., 612, 2016
3T3R
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BU of 3t3r by Molmil
Human Cytochrome P450 2A6 in complex with Pilocarpine
Descriptor: (3S,4R)-3-ethyl-4-[(1-methyl-1H-imidazol-5-yl)methyl]dihydrofuran-2(3H)-one, Cytochrome P450 2A6, PROTOPORPHYRIN IX CONTAINING FE
Authors:DeVore, N.M, Scott, E.E.
Deposit date:2011-07-25
Release date:2011-12-07
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural comparison of cytochromes P450 2A6, 2A13, and 2E1 with pilocarpine.
Febs J., 279, 2012
3T3Q
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BU of 3t3q by Molmil
Human Cytochrome P450 2A6 I208S/I300F/G301A/S369G in complex with Pilocarpine
Descriptor: (3S,4R)-3-ethyl-4-[(1-methyl-1H-imidazol-5-yl)methyl]dihydrofuran-2(3H)-one, Cytochrome P450 2A6, PROTOPORPHYRIN IX CONTAINING FE
Authors:DeVore, N.M, Scott, E.E.
Deposit date:2011-07-25
Release date:2011-12-07
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural comparison of cytochromes P450 2A6, 2A13, and 2E1 with pilocarpine.
Febs J., 279, 2012
3T3S
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BU of 3t3s by Molmil
Human Cytochrome P450 2A13 in complex with Pilocarpine
Descriptor: (3S,4R)-3-ethyl-4-[(1-methyl-1H-imidazol-5-yl)methyl]dihydrofuran-2(3H)-one, Cytochrome P450 2A13, PROTOPORPHYRIN IX CONTAINING FE
Authors:DeVore, N.M, Scott, E.E.
Deposit date:2011-07-25
Release date:2011-12-07
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structural comparison of cytochromes P450 2A6, 2A13, and 2E1 with pilocarpine.
Febs J., 279, 2012
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