2A1E
| 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
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3K4V
| 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
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2V3N
| 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
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2V3P
| 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
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2BBC
| 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
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2BB6
| 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
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2BB5
| 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
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1PYZ
| 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
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1OVU
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1OVV
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1OVR
| 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
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1I8O
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1I8P
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1LT1
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1JM0
| 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
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1JMB
| 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
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1FJ0
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1NVO
| 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
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1HH7
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3TOF
| 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
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2KIK
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1EC5
| 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
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1U7J
| 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: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | Analysis and Design of Turns in alpha-Helical Hairpins J.Mol.Biol., 346, 2005
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1U7M
| 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: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | Analysis and Design of Turns in alpha-Helical Hairpins J.Mol.Biol., 346, 2005
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