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5LSG
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BU of 5lsg by Molmil
PPARgamma complex with the betulinic acid
Descriptor: Betulinic Acid, Peroxisome proliferator-activated receptor gamma
Authors:Pochetti, G, Montanari, R, Capelli, D, Loiodice, F, Laghezza, A, Calleri, E, Paiardini, A.
Deposit date:2016-08-26
Release date:2017-08-09
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2 Å)
Cite:Betulinic acid is a PPAR gamma antagonist that improves glucose uptake, promotes osteogenesis and inhibits adipogenesis.
Sci Rep, 7, 2017
3RBL
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BU of 3rbl by Molmil
Crystal structure of Human aromatic L-amino acid decarboxylase (AADC) in the apo form
Descriptor: CHLORIDE ION, aromatic L-amino acid decarboxylase
Authors:Giardina, G, Montioli, R, Gianni, S, Cellini, B, Paiardini, A, Borri Voltattorni, C, Cutruzzola, F.
Deposit date:2011-03-29
Release date:2011-10-19
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (3.24 Å)
Cite:Open conformation of human DOPA decarboxylase reveals the mechanism of PLP addition to Group II decarboxylases.
Proc.Natl.Acad.Sci.USA, 108, 2011
3RCH
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BU of 3rch by Molmil
Crystal structure of Human aromatic L-amino acid decarboxylase (AADC) in the open conformation with LLP and PLP bound to Chain-A and Chain-B respectively
Descriptor: PYRIDOXAL-5'-PHOSPHATE, aromatic L-amino acid decarboxylase
Authors:Giardina, G, Montioli, R, Gianni, S, Cellini, B, Paiardini, A, Borri Voltattorni, C, Cutruzzola, F.
Deposit date:2011-03-31
Release date:2011-10-19
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Open conformation of human DOPA decarboxylase reveals the mechanism of PLP addition to Group II decarboxylases.
Proc.Natl.Acad.Sci.USA, 108, 2011
3RBF
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BU of 3rbf by Molmil
Crystal structure of Human aromatic L-amino acid decarboxylase (AADC) in the apo form
Descriptor: Aromatic-L-amino-acid decarboxylase, CHLORIDE ION, PYRIDOXAL-5'-PHOSPHATE
Authors:Giardina, G, Montioli, R, Gianni, S, Cellini, B, Paiardini, A, Borri Voltattorni, C, Cutruzzola, F.
Deposit date:2011-03-29
Release date:2011-10-19
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Open conformation of human DOPA decarboxylase reveals the mechanism of PLP addition to Group II decarboxylases.
Proc.Natl.Acad.Sci.USA, 108, 2011
8A11
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BU of 8a11 by Molmil
Cryo-EM structure of the Human SHMT1-RNA complex
Descriptor: PYRIDOXAL-5'-PHOSPHATE, Serine hydroxymethyltransferase, cytosolic
Authors:Spizzichino, S, Marabelli, C, Bharadwaj, A, Jakobi, A.J, Chaves-Sanjuan, A, Giardina, G, Bolognesi, M, Cutruzzola, F.
Deposit date:2022-05-30
Release date:2023-06-14
Last modified:2024-07-24
Method:ELECTRON MICROSCOPY (3.52 Å)
Cite:Structure-based mechanism of riboregulation of the metabolic enzyme SHMT1.
Mol.Cell, 2024
6XVW
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BU of 6xvw by Molmil
Catalytic domain of human PARP-1 in complex with the inhibitor MC2050
Descriptor: 1,2-ETHANEDIOL, 2-[2-(4-pyridin-2-ylpiperazin-1-yl)ethylsulfanyl]-3~{H}-quinazolin-4-one, NICKEL (II) ION, ...
Authors:Pfahler, J, Steegborn, C.
Deposit date:2020-01-22
Release date:2020-06-03
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2 Å)
Cite:From PARP1 to TNKS2 Inhibition: A Structure-Based Approach.
Acs Med.Chem.Lett., 11, 2020
6FL5
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BU of 6fl5 by Molmil
Structure of human SHMT1-H135N-R137A-E168N mutant at 3.6 Ang. resolution
Descriptor: CHLORIDE ION, PYRIDOXAL-5'-PHOSPHATE, Serine hydroxymethyltransferase, ...
Authors:Giardina, G, Cutruzzola, F, Lucchi, R.
Deposit date:2018-01-25
Release date:2018-10-10
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (3.6 Å)
Cite:The catalytic activity of serine hydroxymethyltransferase is essential for de novo nuclear dTMP synthesis in lung cancer cells.
FEBS J., 285, 2018
6T9C
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BU of 6t9c by Molmil
Crystal structure of the complex between PPARgamma LBD and the ligand NV1346 (3a)
Descriptor: 4-hexoxy-~{N}-[(2~{S})-3-methyl-1-(oxidanylamino)-1-oxidanylidene-butan-2-yl]benzamide, Peroxisome proliferator-activated receptor gamma
Authors:Pochetti, G, Montanari, R, Capelli, D.
Deposit date:2019-10-27
Release date:2020-02-26
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Insights into PPAR gamma Phosphorylation and Its Inhibition Mechanism.
J.Med.Chem., 63, 2020
5OFY
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BU of 5ofy by Molmil
Crystal structure of the D183N variant of human Alanine:Glyoxylate Aminotransferase major allele (AGT-Ma) at pH 9.0. 2.8 Ang; internal aldimine with PLP in the active site
Descriptor: 1,4-DIETHYLENE DIOXIDE, PYRIDOXAL-5'-PHOSPHATE, Serine--pyruvate aminotransferase
Authors:Giardina, G, Cutruzzola, F, Borri Voltattorni, C, Cellini, B, Montioli, R.
Deposit date:2017-07-11
Release date:2017-09-27
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Radiation damage at the active site of human alanine:glyoxylate aminotransferase reveals that the cofactor position is finely tuned during catalysis.
Sci Rep, 7, 2017
5OG0
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BU of 5og0 by Molmil
Crystal structure of human Alanine:Glyoxylate Aminotransferase major allele (AGT-Ma) at 2.5 Angstrom; internal aldimine with PLP in the active site
Descriptor: PYRIDOXAL-5'-PHOSPHATE, Serine--pyruvate aminotransferase
Authors:Giardina, G, Cutruzzola, F, Borri Voltattorni, C, Cellini, B, Montioli, R.
Deposit date:2017-07-11
Release date:2017-09-27
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Radiation damage at the active site of human alanine:glyoxylate aminotransferase reveals that the cofactor position is finely tuned during catalysis.
Sci Rep, 7, 2017
8R7H
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BU of 8r7h by Molmil
Cryo-EM structure of Human SHMT1
Descriptor: Serine hydroxymethyltransferase, cytosolic
Authors:Spizzichino, S, Marabelli, C, Bharadwaj, A, Jakobi, A.J, Chaves-Sanjuan, A, Giardina, G, Bolognesi, M, Cutruzzola, F.
Deposit date:2023-11-24
Release date:2024-07-24
Last modified:2024-08-07
Method:ELECTRON MICROSCOPY (3.29 Å)
Cite:Structure-based mechanism of riboregulation of the metabolic enzyme SHMT1.
Mol.Cell, 84, 2024
7A7E
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BU of 7a7e by Molmil
Structure of a delta-N mutant - E232start - of PA1120 (TpbB or YfiN) from Pseudomonas aeruginosa (PAO1) comprising only the GGDEF domain
Descriptor: Diguanylate cyclase TpbB, MAGNESIUM ION
Authors:Giardina, G, Rinaldo, S, Mantoni, F, Brunotti, P.
Deposit date:2020-08-28
Release date:2021-07-07
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Studying GGDEF Domain in the Act: Minimize Conformational Frustration to Prevent Artefacts.
Life, 11, 2021
8QYT
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BU of 8qyt by Molmil
Human Pyridoxine-5'-phosphate oxidase in complex with PLP
Descriptor: BETA-MERCAPTOETHANOL, FLAVIN MONONUCLEOTIDE, PYRIDOXAL-5'-PHOSPHATE, ...
Authors:Antonelli, L, Ilari, A, Fiorillo, A.
Deposit date:2023-10-26
Release date:2024-02-07
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Identification of the pyridoxal 5'-phosphate allosteric site in human pyridox(am)ine 5'-phosphate oxidase.
Protein Sci., 33, 2024
8QYW
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BU of 8qyw by Molmil
Human Pyridoxine-5'-phosphate oxidase mutant R225H
Descriptor: FLAVIN MONONUCLEOTIDE, PHOSPHATE ION, Pyridoxine-5'-phosphate oxidase
Authors:Antonelli, L, Ilari, A, Fiorillo, A.
Deposit date:2023-10-26
Release date:2024-02-07
Method:X-RAY DIFFRACTION (2.746 Å)
Cite:Identification of the pyridoxal 5'-phosphate allosteric site in human pyridox(am)ine 5'-phosphate oxidase.
Protein Sci., 33, 2024
5CBM
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BU of 5cbm by Molmil
Crystal structure of PfA-M17 with virtual ligand inhibitor
Descriptor: (2S)-2-{[(R)-[(R)-amino(phenyl)methyl](hydroxy)phosphoryl]methyl}-4-methylpentanoic acid, CARBONATE ION, GLYCEROL, ...
Authors:Ruggeri, C, Drinkwater, N, McGowan, S.
Deposit date:2015-07-01
Release date:2015-10-07
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Identification and Validation of a Potent Dual Inhibitor of the P. falciparum M1 and M17 Aminopeptidases Using Virtual Screening.
Plos One, 10, 2015
6HX7
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BU of 6hx7 by Molmil
Crystal structure of human R180T variant of ORNITHINE AMINOTRANSFERASE at 1.8 Angstrom
Descriptor: Ornithine aminotransferase, mitochondrial, PYRIDOXAL-5'-PHOSPHATE
Authors:Giardina, G, Montioli, R, Cellini, B, Cutruzzola, F, Borri Voltattorni, C.
Deposit date:2018-10-16
Release date:2019-06-05
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:R180T variant of delta-ornithine aminotransferase associated with gyrate atrophy: biochemical, computational, X-ray and NMR studies provide insight into its catalytic features.
Febs J., 286, 2019
5M3C
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BU of 5m3c by Molmil
Structure of the hybrid domain (GGDEF-EAL) of PA0575 from Pseudomonas aeruginosa PAO1 at 2.8 Ang. with GTP and Ca2+ bound to the active site of the GGDEF domain
Descriptor: CALCIUM ION, Diguanylate cyclase, GUANOSINE-5'-TRIPHOSPHATE
Authors:Giardina, G, Brunotti, P, Cutruzzola, F, Rinaldo, S.
Deposit date:2016-10-14
Release date:2017-12-20
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Insights into the GTP-dependent allosteric control of c-di-GMP hydrolysis from the crystal structure of PA0575 protein from Pseudomonas aeruginosa.
FEBS J., 285, 2018
5F9S
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BU of 5f9s by Molmil
Crystal structure of human Alanine:Glyoxylate Aminotransferase major allele (AGT-Ma) at 1.7 Angstrom; internal aldimine with PLP in the active site
Descriptor: PYRIDOXAL-5'-PHOSPHATE, Serine--pyruvate aminotransferase
Authors:Giardina, G, Cutruzzola, F, Borri Voltattorni, C, Cellini, B, Montioli, R.
Deposit date:2015-12-10
Release date:2016-12-21
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Radiation damage at the active site of human alanine:glyoxylate aminotransferase reveals that the cofactor position is finely tuned during catalysis.
Sci Rep, 7, 2017
5HHY
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BU of 5hhy by Molmil
Structure of human Alanine:Glyoxylate Aminotransferase major allele (AGT-Ma) showing X-Ray induced reduction of PLP internal aldimine to 4'-deoxy-piridoxine-phosphate (PLR)
Descriptor: (5-HYDROXY-4,6-DIMETHYLPYRIDIN-3-YL)METHYL DIHYDROGEN PHOSPHATE, Serine--pyruvate aminotransferase
Authors:Giardina, G, Cutruzzola, F, Borri Voltattorni, C, Cellini, B, Montioli, R.
Deposit date:2016-01-11
Release date:2017-01-25
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Radiation damage at the active site of human alanine:glyoxylate aminotransferase reveals that the cofactor position is finely tuned during catalysis.
Sci Rep, 7, 2017
4PVF
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BU of 4pvf by Molmil
Crystal structure of Homo sapiens holo serine hydroxymethyltransferase 2 (mitochondrial) (SHMT2), isoform 3, transcript variant 5, 483 aa, at 2.6 ang. resolution
Descriptor: DI(HYDROXYETHYL)ETHER, GLYCEROL, Serine hydroxymethyltransferase, ...
Authors:Giardina, G, Brunotti, P, Fiascarelli, A, Contestabile, R, Cutruzzola, F.
Deposit date:2014-03-17
Release date:2015-01-28
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:How pyridoxal 5'-phosphate differentially regulates human cytosolic and mitochondrial serine hydroxymethyltransferase oligomeric state.
Febs J., 282, 2015
4ZW3
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BU of 4zw3 by Molmil
X-ray crystal structure of PfA-M1 in complex with hydroxamic acid-based inhibitor 9b
Descriptor: GLYCEROL, M1 family aminopeptidase, MAGNESIUM ION, ...
Authors:Drinkwater, N, McGowan, S.
Deposit date:2015-05-19
Release date:2016-03-30
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Potent dual inhibitors of Plasmodium falciparum M1 and M17 aminopeptidases through optimization of S1 pocket interactions.
Eur.J.Med.Chem., 110, 2016
4ZX4
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BU of 4zx4 by Molmil
X-ray crystal structure of PfA-M1 in complex with hydroxamic acid-based inhibitor 10o
Descriptor: DIMETHYL SULFOXIDE, GLYCEROL, M1 family aminopeptidase, ...
Authors:Drinkwater, N, McGowan, S.
Deposit date:2015-05-20
Release date:2016-03-30
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Potent dual inhibitors of Plasmodium falciparum M1 and M17 aminopeptidases through optimization of S1 pocket interactions.
Eur.J.Med.Chem., 110, 2016
4ZX8
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BU of 4zx8 by Molmil
X-ray crystal structure of PfA-M17 in complex with hydroxamic acid-based inhibitor 9b
Descriptor: CARBONATE ION, DIMETHYL SULFOXIDE, GLYCEROL, ...
Authors:Drinkwater, N, McGowan, S.
Deposit date:2015-05-20
Release date:2016-03-30
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Potent dual inhibitors of Plasmodium falciparum M1 and M17 aminopeptidases through optimization of S1 pocket interactions.
Eur.J.Med.Chem., 110, 2016
4ZW7
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BU of 4zw7 by Molmil
X-ray crystal structure of PfA-M1 in complex with hydroxamic acid-based inhibitor 9m
Descriptor: DIMETHYL SULFOXIDE, GLYCEROL, M1 family aminopeptidase, ...
Authors:Drinkwater, N, McGowan, S.
Deposit date:2015-05-19
Release date:2016-03-30
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Potent dual inhibitors of Plasmodium falciparum M1 and M17 aminopeptidases through optimization of S1 pocket interactions.
Eur.J.Med.Chem., 110, 2016
4ZYQ
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BU of 4zyq by Molmil
X-ray crystal structure of PfA-M17 in complex with hydroxamic acid-based inhibitor 10s
Descriptor: CARBONATE ION, N-{(1R)-2-(hydroxyamino)-1-[3'-(N'-hydroxycarbamimidoyl)biphenyl-4-yl]-2-oxoethyl}-2,2-dimethylpropanamide, PENTAETHYLENE GLYCOL, ...
Authors:Drinkwater, N, McGowan, S.
Deposit date:2015-05-22
Release date:2016-03-30
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Potent dual inhibitors of Plasmodium falciparum M1 and M17 aminopeptidases through optimization of S1 pocket interactions.
Eur.J.Med.Chem., 110, 2016

 

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