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1C75
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BU of 1c75 by Molmil
0.97 A "AB INITIO" CRYSTAL STRUCTURE OF CYTOCHROME C-553 FROM BACILLUS PASTEURII
Descriptor: CYTOCHROME C-553, HEME C
Authors:Benini, S, Ciurli, S, Rypniewski, W.R, Wilson, K.S.
Deposit date:2000-02-09
Release date:2000-03-22
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (0.97 Å)
Cite:Crystal structure of oxidized Bacillus pasteurii cytochrome c553 at 0.97-A resolution.
Biochemistry, 39, 2000
1B7V
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BU of 1b7v by Molmil
Structure of the C-553 cytochrome from Bacillus pasteruii to 1.7 A resolution
Descriptor: HEME C, PROTEIN (CYTOCHROME C-553)
Authors:Gonzalez, A, Benini, S, Rypniewski, W.R, Wilson, K.S, Ciurli, S.
Deposit date:1999-01-22
Release date:2000-03-27
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structure of oxidized Bacillus pasteurii cytochrome c553 at 0.97-A resolution.
Biochemistry, 39, 2000
4UBP
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BU of 4ubp by Molmil
STRUCTURE OF BACILLUS PASTEURII UREASE INHIBITED WITH ACETOHYDROXAMIC ACID AT 1.55 A RESOLUTION
Descriptor: ACETOHYDROXAMIC ACID, NICKEL (II) ION, PROTEIN (UREASE (CHAIN A)), ...
Authors:Benini, S, Rypniewski, W.R, Wilson, K.S, Ciurli, S, Mangani, S.
Deposit date:1999-02-25
Release date:2000-03-06
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:The complex of Bacillus pasteurii urease with acetohydroxamate anion from X-ray data at 1.55 A resolution.
J.Biol.Inorg.Chem., 5, 2000
7ZCY
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BU of 7zcy by Molmil
Sporosarcina pasteurii urease (SPU) co-crystallized in the presence of an Ebselen-derivative and bound to Se atoms
Descriptor: 1,2-ETHANEDIOL, HYDROXIDE ION, N-(2-chloranyl-4-fluoranyl-phenyl)-2-selanyl-benzamide, ...
Authors:Mazzei, L, Ciurli, S, Cianci, M.
Deposit date:2022-03-29
Release date:2023-04-19
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Optimized Ebselen-Based Inhibitors of Bacterial Ureases with Nontypical Mode of Action.
J.Med.Chem., 66, 2023
4CEX
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BU of 4cex by Molmil
1.59 A resolution Fluoride inhibited Sporosarcina pasteurii urease
Descriptor: 1,2-ETHANEDIOL, FLUORIDE ION, NICKEL (II) ION, ...
Authors:Benini, S, Cianci, M, Ciurli, S.
Deposit date:2013-11-12
Release date:2014-08-27
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.589 Å)
Cite:Fluoride Inhibition of Sporosarcina Pasteurii Urease: Structure and Thermodynamics.
J.Biol.Inorg.Chem., 19, 2014
4CEU
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BU of 4ceu by Molmil
1.58 A resolution native Sporosarcina pasteurii urease
Descriptor: 1,2-ETHANEDIOL, HYDROXIDE ION, NICKEL (II) ION, ...
Authors:Benini, S, Cianci, M, Ciurli, S.
Deposit date:2013-11-12
Release date:2014-08-27
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Fluoride Inhibition of Sporosarcina Pasteurii Urease: Structure and Thermodynamics.
J.Biol.Inorg.Chem., 19, 2014
1S3T
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BU of 1s3t by Molmil
BORATE INHIBITED BACILLUS PASTEURII UREASE CRYSTAL STRUCTURE
Descriptor: BORIC ACID, NICKEL (II) ION, SULFATE ION, ...
Authors:Benini, S, Rypniewski, W.R, Wilson, K.S, Ciurli, S, Mangani, S.
Deposit date:2004-01-14
Release date:2004-04-06
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Molecular Details of Urease Inhibition by Boric Acid: Insights into the Catalytic Mechanism.
J.Am.Chem.Soc., 126, 2004
2UBP
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BU of 2ubp by Molmil
STRUCTURE OF NATIVE UREASE FROM BACILLUS PASTEURII
Descriptor: NICKEL (II) ION, PROTEIN (UREASE ALPHA SUBUNIT), PROTEIN (UREASE BETA SUBUNIT), ...
Authors:Benini, S, Rypniewski, W.R, Wilson, K.S, Ciurli, S, Mangani, S.
Deposit date:1998-11-04
Release date:1999-11-08
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2 Å)
Cite:A new proposal for urease mechanism based on the crystal structures of the native and inhibited enzyme from Bacillus pasteurii: why urea hydrolysis costs two nickels.
Structure Fold.Des., 7, 1999
1UBP
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BU of 1ubp by Molmil
CRYSTAL STRUCTURE OF UREASE FROM BACILLUS PASTEURII INHIBITED WITH BETA-MERCAPTOETHANOL AT 1.65 ANGSTROMS RESOLUTION
Descriptor: BETA-MERCAPTOETHANOL, NICKEL (II) ION, UREASE
Authors:Benini, S, Rypniewski, W.R, Wilson, K.S, Ciurli, S, Mangani, S.
Deposit date:1998-01-21
Release date:1999-03-02
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:The complex of Bacillus pasteurii urease with beta-mercaptoethanol from X-ray data at 1.65-A resolution
J.Biol.Inorg.Chem., 3, 1998
4AC7
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BU of 4ac7 by Molmil
The crystal structure of Sporosarcina pasteurii urease in complex with citrate
Descriptor: 1,2-ETHANEDIOL, CITRATE ANION, HYDROXIDE ION, ...
Authors:Benini, S, Kosikowska, P, Cianci, M, Gonzalez Vara, A, Berlicki, L, Ciurli, S.
Deposit date:2011-12-14
Release date:2013-01-16
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:The Crystal Structure of Sporosarcina Pasteurii Urease in a Complex with Citrate Provides New Hints for Inhibitor Design.
J.Biol.Inorg.Chem., 18, 2013
8Q2E
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BU of 8q2e by Molmil
The 1.68-A X-ray crystal structure of Sporosarcina pasteurii urease inhibited by thiram and bound to dimethylditiocarbamate
Descriptor: 1,2-ETHANEDIOL, HYDROXIDE ION, NICKEL (II) ION, ...
Authors:Mazzei, L, Cianci, M, Ciurli, S.
Deposit date:2023-08-02
Release date:2023-11-01
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Kinetic and structural details of urease inactivation by thiuram disulphides.
J.Inorg.Biochem., 250, 2023
3UBP
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BU of 3ubp by Molmil
DIAMIDOPHOSPHATE INHIBITED BACILLUS PASTEURII UREASE
Descriptor: DIAMIDOPHOSPHATE, NICKEL (II) ION, PROTEIN (UREASE ALPHA SUBUNIT), ...
Authors:Benini, S, Rypniewski, W.R, Wilson, K.S, Miletti, S, Mangani, S, Ciurli, S.
Deposit date:1998-12-16
Release date:1999-12-17
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2 Å)
Cite:A new proposal for urease mechanism based on the crystal structures of the native and inhibited enzyme from Bacillus pasteurii: why urea hydrolysis costs two nickels.
Structure Fold.Des., 7, 1999
5A6T
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BU of 5a6t by Molmil
1.65 A resolution Sulphite inhibited Sporosarcina pasteurii urease
Descriptor: 1,2-ETHANEDIOL, NICKEL (II) ION, SULFATE ION, ...
Authors:Mazzei, L, Cianci, M, Benini, S, Bertini, L, Musiani, F, Ciurli, S.
Deposit date:2015-07-01
Release date:2015-12-02
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Kinetic and Structural Studies Reveal a Unique Binding Mode of Sulfite to the Nickel Center in Urease.
J.Inorg.Biochem., 154, 2015
5N76
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BU of 5n76 by Molmil
Crystal structure of the apo-form of the CO dehydrogenase accessory protein CooT from Rhodospirillum rubrum
Descriptor: CooT
Authors:Timm, J, Brochier-Armanet, C, Perard, J, Zambelli, B, Ollagnier-de-Choudens, S, Ciurli, S, Cavazza, C.
Deposit date:2017-02-19
Release date:2017-05-10
Last modified:2019-10-16
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The CO dehydrogenase accessory protein CooT is a novel nickel-binding protein.
Metallomics, 9, 2017
8A18
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BU of 8a18 by Molmil
1.63 A resolution hydroquinone inhibited Sporosarcina pasteurii urease
Descriptor: 1,2-ETHANEDIOL, HYDROXIDE ION, NICKEL (II) ION, ...
Authors:Mazzei, L, Ciurli, S, Cianci, M.
Deposit date:2022-06-01
Release date:2023-06-14
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Inhibition of Urease by Hydroquinones: A Structural and Kinetic Study.
Chemistry, 28, 2022
8CDC
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BU of 8cdc by Molmil
Native 3CLpro from SARS-CoV-2 at 1.54 A
Descriptor: 3C-like proteinase
Authors:Mazzei, L, Jovanovic, A, Acton, T.B, Ciurli, S, Montelione, G.T.
Deposit date:2023-01-30
Release date:2024-02-21
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Expression, purification, and characterization of SARS-CoV2 3CLpro in a mature form
To Be Published
2J9B
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BU of 2j9b by Molmil
THE CRYSTAL STRUCTURE OF CYTOCHROME C' FROM RUBRIVIVAX GELATINOSUS AT 1.5 A RESOLUTION AND PH 6.3
Descriptor: CYTOCHROME C', HEME C
Authors:Benini, S, Ciurli, S, Rypniewski, W.R, Wilson, K.S.
Deposit date:2006-11-06
Release date:2007-12-04
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:High resolution crystal structure of Rubrivivax gelatinosus cytochrome c'.
J. Inorg. Biochem., 102, 2008
2Y3Y
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BU of 2y3y by Molmil
Holo-Ni(II) HpNikR is a symmetric tetramer containing four canonic square-planar Ni(II) ions at physiological pH
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, DI(HYDROXYETHYL)ETHER, NICKEL (II) ION, ...
Authors:Benini, S, Cianci, M, Ciurli, S.
Deposit date:2011-01-04
Release date:2011-08-17
Last modified:2019-07-17
Method:X-RAY DIFFRACTION (2.39 Å)
Cite:Holo-Ni(2+)Helicobacter Pylori Nikr Contains Four Square-Planar Nickel-Binding Sites at Physiological Ph.
Dalton Trans, 40, 2011
5G4H
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BU of 5g4h by Molmil
1.50 A resolution catechol (1,2-dihydroxybenzene) inhibited Sporosarcina pasteurii urease
Descriptor: 1,2-ETHANEDIOL, CATECHOL, HYDROXIDE ION, ...
Authors:Mazzei, L, Cianci, M, Musiani, F, Ciurli, S.
Deposit date:2016-05-13
Release date:2016-12-07
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Inactivation of Urease by Catechol: Kinetics and Structure.
J.Inorg.Biochem., 166, 2016
1IE7
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BU of 1ie7 by Molmil
PHOSPHATE INHIBITED BACILLUS PASTEURII UREASE CRYSTAL STRUCTURE
Descriptor: NICKEL (II) ION, PHOSPHATE ION, UREASE ALPHA SUBUNIT, ...
Authors:Benini, S, Rypniewski, W.R, Wilson, K.S, Ciurli, S, Mangani, S.
Deposit date:2001-04-09
Release date:2001-04-25
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structure-based rationalization of urease inhibition by phosphate: novel insights into the enzyme mechanism.
J.Biol.Inorg.Chem., 6, 2001
1HLQ
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BU of 1hlq by Molmil
CRYSTAL STRUCTURE OF RHODOFERAX FERMENTANS HIGH POTENTIAL IRON-SULFUR PROTEIN REFINED TO 1.45 A
Descriptor: HIGH-POTENTIAL IRON-SULFUR PROTEIN, IRON/SULFUR CLUSTER, SULFATE ION
Authors:Gonzalez, A, Ciurli, S, Benini, S.
Deposit date:2000-12-01
Release date:2003-06-03
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Structure of Rhodoferax fermentans high-potential iron-sulfur protein solved by MAD.
Acta Crystallogr.,Sect.D, 59, 2003
5OL4
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BU of 5ol4 by Molmil
1.28 A resolution of Sporosarcina pasteurii urease inhibited in the presence of NBPT
Descriptor: 1,2-ETHANEDIOL, NICKEL (II) ION, Phosphoramidothioic O,O-acid, ...
Authors:Mazzei, L, Cianci, M, Musiani, F, Ciurli, S.
Deposit date:2017-07-26
Release date:2018-03-07
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.28 Å)
Cite:Urease Inhibition in the Presence of N-(n-Butyl)thiophosphoric Triamide, a Suicide Substrate: Structure and Kinetics.
Biochemistry, 56, 2017
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
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

 

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