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3K4V
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BU of 3k4v by Molmil
New crystal form of HIV-1 Protease/Saquinavir structure reveals carbamylation of N-terminal proline
Descriptor: (2S)-N-[(2S,3R)-4-[(2S,3S,4aS,8aS)-3-(tert-butylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-hydroxy-1 -phenyl-butan-2-yl]-2-(quinolin-2-ylcarbonylamino)butanediamide, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
Authors:Olajuyigbe, F.M, Demitri, N, Ajele, J.O, Maurizio, E, Randaccio, L, Geremia, S.
Deposit date:2009-10-06
Release date:2010-06-09
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.39 Å)
Cite:Carbamylation of N-terminal proline.
ACS Med Chem Lett, 1, 2010
2V3N
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BU of 2v3n by Molmil
Crystallographic analysis of upper axial ligand substitutions in cobalamin bound to transcobalamin
Descriptor: CHLORIDE ION, COBALAMIN, CYANIDE ION, ...
Authors:Wuerges, J, Geremia, S, Randaccio, L.
Deposit date:2007-06-19
Release date:2007-10-30
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.73 Å)
Cite:Vitamin B12 Transport Proteins: Crystallographic Analysis of Beta-Axial Ligand Substitutions in Cobalamin Bound to Transcobalamin.
Iubmb Life, 59, 2007
2V3P
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BU of 2v3p by Molmil
Crystallographic analysis of beta-axial ligand substitutions in cobalamin bound to transcobalamin
Descriptor: CHLORIDE ION, COBALAMIN, SULFITE ION, ...
Authors:Wuerges, J, Geremia, S, Randaccio, L.
Deposit date:2007-06-19
Release date:2007-10-30
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Vitamin B12 Transport Proteins: Crystallographic Analysis of Beta-Axial Ligand Substitutions in Cobalamin Bound to Transcobalamin.
Iubmb Life, 59, 2007
1PYZ
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BU of 1pyz by Molmil
CRYSTALLOGRAPHIC STRUCTURE OF MIMOCHROME IV
Descriptor: CHLORIDE ION, CO(III)-(DEUTEROPORPHYRIN IX), MIMOCHROME IV, ...
Authors:Di Costanzo, L, Geremia, S, Randaccio, L, Nastri, F, Maglio, O, Lombardi, A, Pavone, V.
Deposit date:2003-07-09
Release date:2004-12-14
Last modified:2018-06-27
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Miniaturized heme proteins: crystal structure of Co(III)-mimochrome IV.
J.Biol.Inorg.Chem., 9, 2004
2A1E
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BU of 2a1e by Molmil
High resolution structure of HIV-1 PR with TS-126
Descriptor: ACETATE ION, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
Authors:Demitri, N, Geremia, S, Randaccio, L, Wuerges, J, Benedetti, F, Berti, F, Dinon, F, Campaner, P, Tell, G.
Deposit date:2005-06-20
Release date:2006-02-21
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:A potent HIV protease inhibitor identified in an epimeric mixture by high-resolution protein crystallography.
Chemmedchem, 1, 2006
2BB6
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BU of 2bb6 by Molmil
Structure of Cobalamin-complexed Bovine Transcobalamin in Monoclinic Crystal Form
Descriptor: CHLORIDE ION, COBALAMIN, Transcobalamin II
Authors:Wuerges, J, Garau, G, Geremia, S, Fedosov, S.N, Petersen, T.E, Randaccio, L.
Deposit date:2005-10-17
Release date:2006-04-04
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural basis for mammalian vitamin B12 transport by transcobalamin.
Proc.Natl.Acad.Sci.Usa, 103, 2006
2BB5
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BU of 2bb5 by Molmil
Structure of Human Transcobalamin in complex with Cobalamin
Descriptor: COBALAMIN, Transcobalamin II
Authors:Wuerges, J, Garau, G, Geremia, S, Fedosov, S.N, Petersen, T.E, Randaccio, L.
Deposit date:2005-10-17
Release date:2006-04-04
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structural basis for mammalian vitamin B12 transport by transcobalamin.
Proc.Natl.Acad.Sci.Usa, 103, 2006
2BBC
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BU of 2bbc by Molmil
Structure of Cobalamin-complexed Bovine Transcobalamin in trigonal crystal form
Descriptor: CHLORIDE ION, COBALAMIN, Transcobalamin II
Authors:Wuerges, J, Garau, G, Geremia, S, Fedosov, S.N, Petersen, T.E, Randaccio, L.
Deposit date:2005-10-17
Release date:2006-04-04
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural basis for mammalian vitamin B12 transport by transcobalamin.
Proc.Natl.Acad.Sci.Usa, 103, 2006
1OVU
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BU of 1ovu by Molmil
CRYSTAL STRUCTURE OF FOUR-HELIX BUNDLE MODEL di-Co(II)-DF1-L13A (form I)
Descriptor: COBALT (II) ION, four-helix bundle model di-Co(II)-DF1-L13A (form I)
Authors:Di Costanzo, L, Geremia, S.
Deposit date:2003-03-27
Release date:2004-04-06
Last modified:2019-11-20
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Response of a designed metalloprotein to changes in metal ion coordination, exogenous ligands, and active site volume determined by X-ray crystallography.
J.Am.Chem.Soc., 127, 2005
1OVV
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BU of 1ovv by Molmil
CRYSTAL STRUCTURE OF FOUR-HELIX BUNDLE MODEL di-Co(II)-DF1-L13A (form II)
Descriptor: COBALT (II) ION, FOUR-HELIX BUNDLE MODEL di-Co(II)-DF1-L13A (form II)
Authors:Di Costanzo, L, Geremia, S.
Deposit date:2003-03-27
Release date:2004-04-06
Last modified:2019-11-20
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Response of a designed metalloprotein to changes in metal ion coordination, exogenous ligands, and active site volume determined by X-ray crystallography.
J.Am.Chem.Soc., 127, 2005
1OVR
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BU of 1ovr by Molmil
CRYSTAL STRUCTURE OF FOUR-HELIX BUNDLE MODEL di-Mn(II)-DF1-L13
Descriptor: MANGANESE (II) ION, four-helix bundle model di-Mn(II)-DF1-L13
Authors:Di Costanzo, L, Geremia, S.
Deposit date:2003-03-27
Release date:2004-05-18
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (2.99 Å)
Cite:Response of a designed metalloprotein to changes in metal ion coordination, exogenous ligands, and active site volume determined by X-ray crystallography.
J.Am.Chem.Soc., 127, 2005
1I8O
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BU of 1i8o by Molmil
RHODOPSEUDOMONAS PALUSTRIS CYT C2 AMMONIA COMPLEX AT 1.15 ANGSTROM RESOLUTION
Descriptor: AMMONIA, CYTOCHROME C2, HEME C, ...
Authors:Garau, G, Geremia, S.
Deposit date:2001-03-15
Release date:2001-04-04
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:Cleavage of the iron-methionine bond in c-type cytochromes: crystal structure of oxidized and reduced cytochrome c(2) from Rhodopseudomonas palustris and its ammonia complex.
Protein Sci., 11, 2002
1FJ0
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BU of 1fj0 by Molmil
STRUCTURE DETERMINATION OF THE FERRICYTOCHROME C2 FROM RHODOPSEUDOMONAS PALUSTRIS
Descriptor: CYTOCHROME C2, GLYCEROL, HEME C, ...
Authors:Geremia, S.
Deposit date:2000-08-07
Release date:2002-01-16
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Cleavage of the iron-methionine bond in c-type cytochromes: Crystal structure of oxidized and reduced cytochrome c(2) from Rhodopseudomonas palustris and its ammonia complex.
Protein Sci., 11, 2002
1LT1
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BU of 1lt1 by Molmil
SLIDING HELIX INDUCED CHANGE OF COORDINATION GEOMETRY IN A MODEL DI-MN(II) PROTEIN
Descriptor: L13G-DF1, MANGANESE (II) ION
Authors:Di Costanzo, L, Geremia, S.
Deposit date:2002-05-20
Release date:2003-05-20
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Sliding helix and change of coordination geometry in a model di-MnII protein
Angew.Chem.Int.Ed.Engl., 42, 2003
1I8P
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BU of 1i8p by Molmil
STRUCTURE DETERMINATION OF THE FERROCYTOCHROME C2 FROM RHODOPSEUDOMONAS PALUSTRIS
Descriptor: CYTOCHROME C2, HEME C
Authors:Garau, G, Geremia, S.
Deposit date:2001-03-15
Release date:2001-04-04
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Cleavage of the iron-methionine bond in c-type cytochromes: crystal structure of oxidized and reduced cytochrome c(2) from Rhodopseudomonas palustris and its ammonia complex.
Protein Sci., 11, 2002
1JM0
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BU of 1jm0 by Molmil
CRYSTAL STRUCTURE OF FOUR-HELIX BUNDLE MODEL
Descriptor: DIMETHYL SULFOXIDE, MANGANESE (II) ION, PROTEIN (FOUR-HELIX BUNDLE MODEL)
Authors:Di Costanzo, L, Geremia, S.
Deposit date:2001-07-17
Release date:2002-01-16
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Toward the de novo design of a catalytically active helix bundle: a substrate-accessible carboxylate-bridged dinuclear metal center.
J.Am.Chem.Soc., 123, 2001
1JMB
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BU of 1jmb by Molmil
CRYSTAL STRUCTURE OF FOUR-HELIX BUNDLE MODEL
Descriptor: DIMETHYL SULFOXIDE, MANGANESE (II) ION, PROTEIN (FOUR-HELIX BUNDLE MODEL)
Authors:Di Costanzo, L, Geremia, S.
Deposit date:2001-07-18
Release date:2002-01-16
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Toward the de novo design of a catalytically active helix bundle: a substrate-accessible carboxylate-bridged dinuclear metal center.
J.Am.Chem.Soc., 123, 2001
1NVO
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BU of 1nvo by Molmil
Solution structure of a four-helix bundle model, apo-DF1
Descriptor: Homodimeric Alpha2 Four-Helix Bundle
Authors:Maglio, O, Nastri, F, Pavone, V, Lombardi, A, DeGrado, W.F.
Deposit date:2003-02-04
Release date:2003-03-25
Last modified:2022-02-23
Method:SOLUTION NMR
Cite:Preorganization of molecular binding sites in designed diiron proteins
Proc.Natl.Acad.Sci.USA, 100, 2003
1HH7
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BU of 1hh7 by Molmil
REFINED CRYSTAL STRUCTURE OF CYTOCHROME C2 FROM RHODOPSEUDOMONAS PALUSTRIS AT 1.4 ANGSTROM RESOLUTION
Descriptor: AMMONIA, CYTOCHROME C2, HEME C, ...
Authors:Garau, G, Geremia, S.
Deposit date:2000-12-21
Release date:2001-01-02
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Crystallization and Preliminary X-Ray Analysis of Two Ph-Dependent Forms of Cytochrome C2 from Rhodopseudomonas Palustris
Acta Crystallogr.,Sect.D, 56, 2000
1EC5
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BU of 1ec5 by Molmil
CRYSTAL STRUCTURE OF FOUR-HELIX BUNDLE MODEL
Descriptor: PROTEIN (FOUR-HELIX BUNDLE MODEL), ZINC ION
Authors:Geremia, S.
Deposit date:2000-01-25
Release date:2000-07-26
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Inaugural article: retrostructural analysis of metalloproteins: application to the design of a minimal model for diiron proteins.
Proc.Natl.Acad.Sci.USA, 97, 2000
3TOF
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BU of 3tof by Molmil
HIV-1 Protease - Epoxydic Inhibitor Complex (pH 6 - Orthorombic Crystal form P212121)
Descriptor: (S)-N-((1R,2S)-1-((2R,3R)-3-benzyloxiran-2-yl)-1-hydroxy-3-phenylpropan-2-yl)-3-methyl-2-(2-phenoxyacetamido)butanamide, ACETATE ION, DIMETHYL SULFOXIDE, ...
Authors:Geremia, S, Olajuyigbe, F.M, Ajele, J.O, Demitri, N, Randaccio, L, Wuerges, J, Benedetti, L, Campaner, P, Berti, F.
Deposit date:2011-09-05
Release date:2012-08-15
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Developing HIV-1 Protease Inhibitors through Stereospecific Reactions in Protein Crystals.
Molecules, 21, 2016
2KIK
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BU of 2kik by Molmil
An artificial di-iron oxo-protein with phenol oxidase activity
Descriptor: Artificial diiron protein, ZINC ION
Authors:Maglio, O, Lombardi, A.
Deposit date:2009-05-06
Release date:2009-11-10
Last modified:2022-03-16
Method:SOLUTION NMR
Cite:An artificial di-iron oxo-protein with phenol oxidase activity
To be Published
1U7J
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BU of 1u7j by Molmil
Solution structure of a diiron protein model
Descriptor: Four-helix bundle model, ZINC ION
Authors:Maglio, O, Nastri, F, Calhoun, J.R, Lahr, S, Pavone, V, DeGrado, W.F, Lombardi, A.
Deposit date:2004-08-04
Release date:2005-03-01
Last modified:2022-03-02
Method:SOLUTION NMR
Cite:Analysis and Design of Turns in alpha-Helical Hairpins
J.Mol.Biol., 346, 2005
1U7M
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BU of 1u7m by Molmil
Solution structure of a diiron protein model: Due Ferri(II) turn mutant
Descriptor: Four-helix bundle model, ZINC ION
Authors:Maglio, O, Nastri, F, Calhoun, J.R, Lahr, S, Pavone, V, DeGrado, W.F, Lombardi, A.
Deposit date:2004-08-04
Release date:2005-03-01
Last modified:2022-03-02
Method:SOLUTION NMR
Cite:Analysis and Design of Turns in alpha-Helical Hairpins
J.Mol.Biol., 346, 2005

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