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6ZO2
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BU of 6zo2 by Molmil
1.65 A resolution 4,5-dimethylcatechol (4,5-dimethylbenzene-1,2-diol) inhibited Sporosarcina pasteurii urease
Descriptor: 1,2-ETHANEDIOL, HYDROXIDE ION, NICKEL (II) ION, ...
Authors:Mazzei, L, Cianci, M, Musiani, F, Ciurli, S.
Deposit date:2020-07-07
Release date:2020-12-23
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Inhibition of Urease, a Ni-Enzyme: The Reactivity of a Key Thiol With Mono- and Di-Substituted Catechols Elucidated by Kinetic, Structural, and Theoretical Studies.
Angew.Chem.Int.Ed.Engl., 60, 2021
6ZJA
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BU of 6zja by Molmil
Helicobacter pylori urease with inhibitor bound in the active site
Descriptor: 2-{[1-(3,5-dimethylphenyl)-1H-imidazol-2-yl]sulfanyl}-N-hydroxyacetamide, NICKEL (II) ION, Urease subunit alpha, ...
Authors:Luecke, H, Cunha, E.
Deposit date:2020-06-28
Release date:2020-12-23
Last modified:2021-02-03
Method:ELECTRON MICROSCOPY (2 Å)
Cite:Cryo-EM structure of Helicobacter pylori urease with an inhibitor in the active site at 2.0 angstrom resolution.
Nat Commun, 12, 2021
7CF6
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BU of 7cf6 by Molmil
Crystal structure of Beta-aspartyl dipeptidase from thermophilic keratin degrading Fervidobacterium islandicum AW-1 in complex with beta-Asp-Leu dipeptide
Descriptor: (2S)-2-[[(3S)-3-azanyl-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-4-methyl-pentanoic acid, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
Authors:Dhanasingh, I, La, J.W, Lee, D.W, Lee, S.H.
Deposit date:2020-06-24
Release date:2020-12-30
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Functional Characterization of Primordial Protein Repair Enzyme M38 Metallo-Peptidase From Fervidobacterium islandicum AW-1.
Front Mol Biosci, 7, 2020
7CDH
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BU of 7cdh by Molmil
Crystal structure of Betaaspartyl dipeptidase from thermophilic keratin degrading Fervidobacterium islandicum-AW-1
Descriptor: DI(HYDROXYETHYL)ETHER, GLYCEROL, Isoaspartyl dipeptidase, ...
Authors:Dhanasingh, I, La, J.W, Lee, D.W, Lee, S.H.
Deposit date:2020-06-19
Release date:2020-12-30
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Functional Characterization of Primordial Protein Repair Enzyme M38 Metallo-Peptidase From Fervidobacterium islandicum AW-1.
Front Mol Biosci, 7, 2020
6YL3
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BU of 6yl3 by Molmil
High resolution cryo-EM structure of urease from the pathogen Yersinia enterocolitica
Descriptor: NICKEL (II) ION, Urease subunit alpha, Urease subunit beta, ...
Authors:Righetto, R.D, Anton, L, Adaixo, R, Jakob, R, Zivanov, J, Mahi, M.A, Ringler, P, Schwede, T, Maier, T, Stahlberg, H.
Deposit date:2020-04-06
Release date:2020-05-06
Last modified:2020-10-21
Method:ELECTRON MICROSCOPY (1.98 Å)
Cite:High-resolution cryo-EM structure of urease from the pathogen Yersinia enterocolitica.
Nat Commun, 11, 2020
6SJ2
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BU of 6sj2 by Molmil
Amidohydrolase, AHS with 3-HAA
Descriptor: 3-HYDROXYANTHRANILIC ACID, Amidohydrolase, GLYCEROL, ...
Authors:Naismith, J.H, Song, H.
Deposit date:2019-08-12
Release date:2020-01-15
Last modified:2020-04-08
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:The Biosynthesis of the Benzoxazole in Nataxazole Proceeds via an Unstable Ester and has Synthetic Utility.
Angew.Chem.Int.Ed.Engl., 59, 2020
6SJ1
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BU of 6sj1 by Molmil
Amidohydrolase, AHS
Descriptor: Amidohydrolase, ZINC ION
Authors:Naismith, J.H, Song, H.
Deposit date:2019-08-12
Release date:2020-01-15
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:The Biosynthesis of the Benzoxazole in Nataxazole Proceeds via an Unstable Ester and has Synthetic Utility.
Angew.Chem.Int.Ed.Engl., 59, 2020
6SJ4
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BU of 6sj4 by Molmil
Amidohydrolase, AHS with substrate analog
Descriptor: 1,2-ETHANEDIOL, 3-(3-hydroxyphenyl)carbonyloxybenzoic acid, Amidohydrolase, ...
Authors:Naismith, J.H, Song, H.
Deposit date:2019-08-12
Release date:2020-01-15
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:The Biosynthesis of the Benzoxazole in Nataxazole Proceeds via an Unstable Ester and has Synthetic Utility.
Angew.Chem.Int.Ed.Engl., 59, 2020
6SJ3
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BU of 6sj3 by Molmil
Amidohydrolase, AHS with 3-HBA
Descriptor: 1,2-ETHANEDIOL, 3-HYDROXYBENZOIC ACID, Amidohydrolase, ...
Authors:Naismith, J.H, Song, H.
Deposit date:2019-08-12
Release date:2020-01-15
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.17 Å)
Cite:The Biosynthesis of the Benzoxazole in Nataxazole Proceeds via an Unstable Ester and has Synthetic Utility.
Angew.Chem.Int.Ed.Engl., 59, 2020
6SJ0
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BU of 6sj0 by Molmil
Amidohydrolase, AHS
Descriptor: Amidohydrolase, BICARBONATE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Naismith, J.H, Song, H.
Deposit date:2019-08-12
Release date:2020-01-15
Last modified:2020-04-08
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:The Biosynthesis of the Benzoxazole in Nataxazole Proceeds via an Unstable Ester and has Synthetic Utility.
Angew.Chem.Int.Ed.Engl., 59, 2020
6KLK
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BU of 6klk by Molmil
Crystal structure of the Pseudomonas aeruginosa dihydropyrimidinase complexed with 5-FU
Descriptor: 5-FLUOROURACIL, D-hydantoinase/dihydropyrimidinase, ZINC ION
Authors:Huang, Y.H, Chen, I.C, Huang, C.Y.
Deposit date:2019-07-30
Release date:2019-11-06
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.759 Å)
Cite:Crystal structure of dihydropyrimidinase in complex with anticancer drug 5-fluorouracil.
Biochem.Biophys.Res.Commun., 519, 2019
6RP1
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BU of 6rp1 by Molmil
1.49 A RESOLUTION OF SPOROSARCINA PASTEURII UREASE INHIBITED IN THE PRESENCE OF NBPTO AT pH 6.5
Descriptor: 1,2-ETHANEDIOL, DIAMIDOPHOSPHATE, NICKEL (II) ION, ...
Authors:Mazzei, L, Cianci, M, Benini, S, Ciurli, S.
Deposit date:2019-05-13
Release date:2020-03-11
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:The Impact of pH on Catalytically Critical Protein Conformational Changes: The Case of the Urease, a Nickel Enzyme.
Chemistry, 25, 2019
6RKG
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BU of 6rkg by Molmil
1.32 A RESOLUTION OF SPOROSARCINA PASTEURII UREASE INHIBITED IN THE PRESENCE OF NBPTO AT pH 7.5
Descriptor: 1,2-ETHANEDIOL, DIAMIDOPHOSPHATE, NICKEL (II) ION, ...
Authors:Mazzei, L, Cianci, M, Benini, S, Ciurli, S.
Deposit date:2019-04-30
Release date:2020-03-11
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.32 Å)
Cite:The Impact of pH on Catalytically Critical Protein Conformational Changes: The Case of the Urease, a Nickel Enzyme.
Chemistry, 25, 2019
6JV9
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BU of 6jv9 by Molmil
Crystal Structure of Human CRMP2 1-532, unmodified
Descriptor: 1,2-ETHANEDIOL, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, Dihydropyrimidinase-related protein 2, ...
Authors:Jiang, X, Ogawa, T, Hirokawa, N.
Deposit date:2019-04-16
Release date:2019-10-09
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Enhanced carbonyl stress induces irreversible multimerization of CRMP2 in schizophrenia pathogenesis.
Life Sci Alliance, 2, 2019
6JVB
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BU of 6jvb by Molmil
Crystal Structure of Human CRMP2 1-532, AGE-modified
Descriptor: Dihydropyrimidinase-related protein 2
Authors:Jiang, X, Ogawa, T, Hirokawa, N.
Deposit date:2019-04-16
Release date:2019-10-09
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2 Å)
Cite:Enhanced carbonyl stress induces irreversible multimerization of CRMP2 in schizophrenia pathogenesis.
Life Sci Alliance, 2, 2019
6OHC
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BU of 6ohc by Molmil
E. coli Guanine Deaminase
Descriptor: GLYCEROL, Guanine deaminase, ZINC ION
Authors:Shek, R.S, French, J.B.
Deposit date:2019-04-05
Release date:2019-07-24
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural Determinants for Substrate Selectivity in Guanine Deaminase Enzymes of the Amidohydrolase Superfamily.
Biochemistry, 58, 2019
6OH9
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BU of 6oh9 by Molmil
Yeast Guanine Deaminase
Descriptor: NONAETHYLENE GLYCOL, SULFATE ION, Yeast Guanine Deaminase, ...
Authors:Shek, R.S, French, J.B.
Deposit date:2019-04-05
Release date:2019-07-24
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structural Determinants for Substrate Selectivity in Guanine Deaminase Enzymes of the Amidohydrolase Superfamily.
Biochemistry, 58, 2019
6OHB
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BU of 6ohb by Molmil
E. coli Guanine Deaminase
Descriptor: Guanine deaminase, ZINC ION
Authors:Shek, R.S, French, J.B.
Deposit date:2019-04-05
Release date:2019-07-24
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural Determinants for Substrate Selectivity in Guanine Deaminase Enzymes of the Amidohydrolase Superfamily.
Biochemistry, 58, 2019
6OHA
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BU of 6oha by Molmil
Yeast Guanine Deaminase
Descriptor: PENTAETHYLENE GLYCOL, Probable guanine deaminase, SULFATE ION, ...
Authors:Shek, R.S, French, J.B.
Deposit date:2019-04-05
Release date:2019-07-24
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Structural Determinants for Substrate Selectivity in Guanine Deaminase Enzymes of the Amidohydrolase Superfamily.
Biochemistry, 58, 2019
6JKU
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BU of 6jku by Molmil
Crystal structure of N-acetylglucosamine-6-phosphate deacetylase from Pasteurella Multocida
Descriptor: 1,2-ETHANEDIOL, GLYCEROL, N-acetylglucosamine-6-phosphate deacetylase, ...
Authors:Manjunath, L, Bose, S, Subramanian, R.
Deposit date:2019-03-01
Release date:2020-03-04
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Quaternary variations in the structural assembly of N-acetylglucosamine-6-phosphate deacetylase from Pasteurella multocida.
Proteins, 2020
6QSU
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BU of 6qsu by Molmil
Helicobacter pylori urease with BME bound in the active site
Descriptor: BETA-MERCAPTOETHANOL, NICKEL (II) ION, Urease subunit alpha, ...
Authors:Luecke, H, Cunha, E.
Deposit date:2019-02-22
Release date:2021-01-20
Last modified:2021-02-03
Method:ELECTRON MICROSCOPY (2.4 Å)
Cite:Cryo-EM structure of Helicobacter pylori urease with an inhibitor in the active site at 2.0 angstrom resolution.
Nat Commun, 12, 2021
6QDY
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BU of 6qdy by Molmil
The crystal structure of Sporosarcina pasteurii urease in complex with its substrate urea
Descriptor: 1,2-ETHANEDIOL, FLUORIDE ION, NICKEL (II) ION, ...
Authors:Mazzei, L, Cianci, M, Benini, S, Ciurli, S.
Deposit date:2019-01-03
Release date:2019-11-13
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.416 Å)
Cite:The Structure of the Elusive Urease-Urea Complex Unveils the Mechanism of a Paradigmatic Nickel-Dependent Enzyme.
Angew.Chem.Int.Ed.Engl., 58, 2019
6I9Y
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BU of 6i9y by Molmil
The 2.14 A X-ray crystal structure of Sporosarcina pasteurii urease in complex with Au(I) ions
Descriptor: 1,2-ETHANEDIOL, GOLD ION, HYDROXIDE ION, ...
Authors:Mazzei, L, Cianci, M, Ciurli, S.
Deposit date:2018-11-26
Release date:2019-05-01
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:Inhibition Mechanism of Urease by Au(III) Compounds Unveiled by X-ray Diffraction Analysis.
Acs Med.Chem.Lett., 10, 2019
6AJD
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BU of 6ajd by Molmil
Crystal structure of a monometallic dihydropyrimidinase from Pseudomonas aeruginosa PAO1 reveals no lysine carbamylation within the active site
Descriptor: D-hydantoinase/dihydropyrimidinase, ZINC ION
Authors:Huang, Y.H, Huang, C.Y.
Deposit date:2018-08-27
Release date:2018-10-24
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.223 Å)
Cite:Crystal structures of monometallic dihydropyrimidinase and the human dihydroorotase domain K1556A mutant reveal no lysine carbamylation within the active site
Biochem. Biophys. Res. Commun., 505, 2018
6HG1
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BU of 6hg1 by Molmil
Hybrid dihydroorotase domain of human CAD with E. coli flexible loop in apo state
Descriptor: CAD protein,Dihydroorotase,CAD protein, FORMIC ACID, ZINC ION
Authors:Ramon-Maiques, S, Del Cano-Ochoa, F.
Deposit date:2018-08-22
Release date:2018-10-24
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:Characterization of the catalytic flexible loop in the dihydroorotase domain of the human multi-enzymatic protein CAD.
J. Biol. Chem., 293, 2018

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