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5HYD
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BU of 5hyd by Molmil
Crystal structure of calcium-free human S100Z
Descriptor: Protein S100-Z
Authors:Calderone, V, Fragai, M, Luchinat, C, Gallo, G.
Deposit date:2016-02-01
Release date:2017-02-01
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Solving the crystal structure of human calcium-free S100Z: the siege and conquer of one of the last S100 family strongholds.
J. Biol. Inorg. Chem., 22, 2017
2B8J
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BU of 2b8j by Molmil
Crystal structure of AphA class B acid phosphatase/phosphotransferase ternary complex with adenosine and phosphate at 2 A resolution
Descriptor: ADENOSINE, GOLD 3+ ION, GOLD ION, ...
Authors:Calderone, V, Forleo, C, Benvenuti, M, Thaller, M.C, Rossolini, G.M, Mangani, S.
Deposit date:2005-10-07
Release date:2005-11-29
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.033 Å)
Cite:A structure-based proposal for the catalytic mechanism of the bacterial acid phosphatase AphA belonging to the DDDD superfamily of phosphohydrolases
J.Mol.Biol., 355, 2006
2B82
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BU of 2b82 by Molmil
Crystal structure of AphA class B acid phosphatase/phosphotransferase ternary complex with adenosine and phosphate bound to the catalytic metal at 1.2 A resolution
Descriptor: ADENOSINE, MAGNESIUM ION, PHOSPHATE ION, ...
Authors:Calderone, V, Forleo, C, Benvenuti, M, Thaller, M.C, Rossolini, G.M, Mangani, S.
Deposit date:2005-10-06
Release date:2005-11-29
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:A structure-based proposal for the catalytic mechanism of the bacterial acid phosphatase AphA belonging to the DDDD superfamily of phosphohydrolases
J.Mol.Biol., 355, 2006
2AEO
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BU of 2aeo by Molmil
Crystal structure of cisplatinated bovine Cu,Zn superoxide dismutase
Descriptor: COPPER (II) ION, Cisplatin, Superoxide dismutase [Cu-Zn], ...
Authors:Calderone, V, Casini, A, Mangani, S, Messori, L, Orioli, P.L.
Deposit date:2005-07-23
Release date:2006-05-02
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural investigation of cisplatin-protein interactions: selective platination of His19 in a cuprozinc superoxide dismutase.
Angew. Chem. Int. Ed. Engl., 45, 2006
1KQX
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BU of 1kqx by Molmil
Crystal structure of apo-CRBP from zebrafish
Descriptor: Cellular retinol-binding protein
Authors:Calderone, V, Folli, C, Marchesani, A, Berni, R, Zanotti, G.
Deposit date:2002-01-08
Release date:2002-08-28
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Identification and structural analysis of a zebrafish apo and holo cellular retinol-binding protein.
J.Mol.Biol., 321, 2002
1KQW
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BU of 1kqw by Molmil
Crystal structure of holo-CRBP from zebrafish
Descriptor: Cellular retinol-binding protein, RETINOL
Authors:Calderone, V, Folli, C, Marchesani, A, Berni, R, Zanotti, G.
Deposit date:2002-01-08
Release date:2002-08-28
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.38 Å)
Cite:Identification and structural analysis of a zebrafish apo and holo cellular retinol-binding protein.
J.Mol.Biol., 321, 2002
1RMT
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BU of 1rmt by Molmil
Crystal structure of AphA class B acid phosphatase/phosphotransferase complexed with adenosine.
Descriptor: ADENOSINE, Class B acid phosphatase, MAGNESIUM ION
Authors:Calderone, V, Forleo, C, Benvenuti, M, Rossolini, G.M, Thaller, M.C, Mangani, S.
Deposit date:2003-11-28
Release date:2004-12-14
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Insights in the catalytic mechanism of AphA from Escherichia coli
To be Published
1RMQ
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BU of 1rmq by Molmil
Crystal structure of AphA class B acid phosphatase/phosphotransferase with osmiate mimicking the catalytic intermediate
Descriptor: COBALT (II) ION, Class B acid phosphatase, OSMIUM ION
Authors:Calderone, V, Forleo, C, Benvenuti, M, Rossolini, G.M, Thaller, M.C, Mangani, S.
Deposit date:2003-11-28
Release date:2004-12-14
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2 Å)
Cite:Insights in the catalytic mechanism of AphA from Escherichia coli
To be Published
1RMY
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BU of 1rmy by Molmil
Crystal structure of AphA class B acid phosphatase/phosphotransferase ternary complex with deoxycytosine and phosphate bound to the catalytic metal
Descriptor: 2'-DEOXYCYTIDINE, Class B acid phosphatase, MAGNESIUM ION, ...
Authors:Calderone, V, Forleo, C, Benvenuti, M, Rossolini, G.M, Thaller, M.C, Mangani, S.
Deposit date:2003-11-28
Release date:2004-12-14
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Insights in the catalytic mechanism of AphA from Escherichia coli
To be Published
1KT5
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BU of 1kt5 by Molmil
Crystal structure of bovine holo-RBP at pH 4.0
Descriptor: Plasma retinol-binding protein, RETINOL
Authors:Calderone, V, Berni, R, Zanotti, G.
Deposit date:2002-01-15
Release date:2003-06-03
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.46 Å)
Cite:High-resolution Structures of Retinol-binding Protein in Complex with Retinol: pH-induced Protein Structural Changes in the Crystal State
J.Mol.Biol., 329, 2003
1KT4
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BU of 1kt4 by Molmil
Crystal structure of bovine holo-RBP at pH 3.0
Descriptor: RETINOL, plasma retinol-binding protein
Authors:Calderone, V, Berni, R, Zanotti, G.
Deposit date:2002-01-15
Release date:2003-06-03
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.461 Å)
Cite:High-resolution Structures of Retinol-binding Protein in Complex with Retinol: pH-induced Protein Structural Changes in the Crystal State
J.Mol.Biol., 329, 2003
1KT6
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BU of 1kt6 by Molmil
Crystal structure of bovine holo-RBP at pH 9.0
Descriptor: RETINOL, plasma retinol-binding protein
Authors:Calderone, V, Berni, R, Zanotti, G.
Deposit date:2002-01-15
Release date:2003-06-03
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:High-resolution Structures of Retinol-binding Protein in Complex with Retinol: pH-induced Protein Structural Changes in the Crystal State
J.Mol.Biol., 329, 2003
1KT3
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BU of 1kt3 by Molmil
Crystal structure of bovine holo-RBP at pH 2.0
Descriptor: Plasma retinol-binding protein, RETINOL
Authors:Calderone, V, Berni, R, Zanotti, G.
Deposit date:2002-01-15
Release date:2003-06-03
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:High-resolution Structures of Retinol-binding Protein in Complex with Retinol: pH-induced Protein Structural Changes in the Crystal State
J.Mol.Biol., 329, 2003
1KT7
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BU of 1kt7 by Molmil
Crystal structure of bovine holo-RBP at pH 7.0
Descriptor: Plasma retinol-binding protein, RETINOL
Authors:Calderone, V, Berni, R, Zanotti, G.
Deposit date:2002-01-15
Release date:2003-06-03
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.274 Å)
Cite:High-resolution Structures of Retinol-binding Protein in Complex with Retinol: pH-induced Protein Structural Changes in the Crystal State
J.Mol.Biol., 329, 2003
1N8N
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BU of 1n8n by Molmil
Crystal structure of the Au3+ complex of AphA class B acid phosphatase/phosphotransferase from E. coli at 1.69 A resolution
Descriptor: Class B acid phosphatase, GOLD 3+ ION
Authors:Calderone, V, Forleo, C, Benvenuti, M, Rossolini, G.M, Thaller, M.C, Mangani, S.
Deposit date:2002-11-21
Release date:2004-02-03
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:The first structure of a bacterial class B Acid phosphatase reveals further structural heterogeneity among phosphatases of the haloacid dehalogenase fold.
J.Mol.Biol., 335, 2004
1N9K
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BU of 1n9k by Molmil
Crystal structure of the bromide adduct of AphA class B acid phosphatase/phosphotransferase from E. coli at 2.2 A resolution
Descriptor: BROMIDE ION, Class B acid phosphatase, MAGNESIUM ION
Authors:Calderone, V, Forleo, C, Benvenuti, M, Rossolini, G.M, Thaller, M.C, Mangani, S.
Deposit date:2002-11-25
Release date:2004-02-03
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The first structure of a bacterial class B Acid phosphatase reveals further structural heterogeneity among phosphatases of the haloacid dehalogenase fold.
J.Mol.Biol., 335, 2004
1NZE
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BU of 1nze by Molmil
Crystal structure of PsbQ polypeptide of photosystem II from higher plants
Descriptor: Oxygen-evolving enhancer protein 3, ZINC ION
Authors:Calderone, V, Trabucco, M, Vujicic, A, Battistutta, R, Giacometti, G.M, Andreucci, F, Barbato, R, Zanotti, G.
Deposit date:2003-02-17
Release date:2003-08-26
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Crystal structure of the PsbQ protein of photosystem II from higher plants
Embo Rep., 4, 2003
1RJU
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BU of 1rju by Molmil
Crystal structure of a truncated form of yeast copper thionein
Descriptor: COPPER (I) ION, Metallothionein
Authors:Calderone, V, Dolderer, B, Hartmann, H.J, Echner, H, Luchinat, C, Del Bianco, C, Mangani, S, Weser, U.
Deposit date:2003-11-20
Release date:2004-12-07
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.44 Å)
Cite:The Crystal Structure of Yeast Copper Thionein: the solution of a long lasting Enigma.
Proc.Natl.Acad.Sci.USA, 102, 2005
6GEU
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BU of 6geu by Molmil
Crystal structure of the C230A mutant of human IBA57
Descriptor: Putative transferase CAF17, mitochondrial
Authors:Calderone, V, Ciofi-Baffoni, S, Gourdoupis, S, Banci, L, Nasta, V.
Deposit date:2018-04-27
Release date:2019-04-03
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:IBA57 Recruits ISCA2 to Form a [2Fe-2S] Cluster-Mediated Complex.
J.Am.Chem.Soc., 140, 2018
8OKB
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BU of 8okb by Molmil
SARS-CoV2 NSP5 in complex with a peptidomimetic ligand
Descriptor: 3C-like proteinase nsp5, methyl (4~{S})-4-[[(2~{S})-4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-5-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]pentanoate
Authors:Calderone, V.
Deposit date:2023-03-28
Release date:2024-01-17
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:Development of a GC-376 Based Peptidomimetic PROTAC as a Degrader of 3-Chymotrypsin-like Protease of SARS-CoV-2.
Acs Med.Chem.Lett., 15, 2024
8OKC
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BU of 8okc by Molmil
SARS-CoV2 NSP5 in complex with a GC-376 based peptidomimetic PROTAC
Descriptor: (phenylmethyl) ~{N}-[(2~{R})-1-[[(~{Z},2~{S})-5-[4-[[1-[2-[(3~{R})-2,6-bis(oxidanylidene)piperidin-3-yl]-6-fluoranyl-1,3-bis(oxidanylidene)isoindol-5-yl]piperidin-4-yl]methyl]piperazin-1-yl]-5-oxidanylidene-1-[(3~{R})-2-oxidanylidenepyrrolidin-3-yl]pent-3-en-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate, 3C-like proteinase nsp5
Authors:Calderone, V.
Deposit date:2023-03-28
Release date:2024-01-17
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2 Å)
Cite:Development of a GC-376 Based Peptidomimetic PROTAC as a Degrader of 3-Chymotrypsin-like Protease of SARS-CoV-2.
Acs Med.Chem.Lett., 15, 2024
7A70
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BU of 7a70 by Molmil
HEW lysozyme in complex with Ti(OH)4
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Lysozyme, ...
Authors:Calderone, V, Gigli, L, Ravera, E, Luchinat, C.
Deposit date:2020-08-27
Release date:2021-01-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:On the Mechanism of Bioinspired Formation of Inorganic Oxides: Structural Evidence of the Electrostatic Nature of the Interaction between a Mononuclear Inorganic Precursor and Lysozyme.
Biomolecules, 11, 2020
6FFK
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BU of 6ffk by Molmil
Human apo-SOD1 bound to PtCl2(1R,2R-1,4-DACH
Descriptor: PtCl2(1(R),2(R)-DACH), Superoxide dismutase [Cu-Zn]
Authors:Calderone, V, Nativi, C, Cantini, F, Di Cesare Mannelli, L.
Deposit date:2018-01-08
Release date:2018-11-28
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Interaction of Half Oxa-/Halfcis-Platin Complex with Human Superoxide Dismutase and Induced Reduction of Neurotoxicity.
ACS Med Chem Lett, 9, 2018
6H6S
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BU of 6h6s by Molmil
Sad phasing on nickel-substituted human carbonic anhydrase II
Descriptor: Carbonic anhydrase 2, NICKEL (II) ION
Authors:Calderone, V, Fragai, M, Silva, J.P, Luchinat, C, Ravera, E, Geraldes, C.F.G.C, Macedo, A.L, Cerofolini, L, Giuntini, S.
Deposit date:2018-07-30
Release date:2019-01-09
Last modified:2019-11-20
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Non-crystallographic symmetry in proteins: Jahn-Teller-like and Butterfly-like effects?
J. Biol. Inorg. Chem., 24, 2019
7NWX
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BU of 7nwx by Molmil
SARS-COV2 NSP5 in the presence of Zn2+
Descriptor: Replicase polyprotein 1a, ZINC ION
Authors:Calderone, V, Grifagni, D, Cantini, F, Fragai, M, Banci, L.
Deposit date:2021-03-17
Release date:2022-01-26
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:SARS-CoV-2 M pro inhibition by a zinc ion: structural features and hints for drug design.
Chem.Commun.(Camb.), 57, 2021

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PDB entries from 2024-03-27

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