2VG6
 
 | | Crystal structures of HIV-1 reverse transcriptase complexes with thiocarbamate non-nucleoside inhibitors | | Descriptor: | O-[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl] (4-bromophenyl)thiocarbamate, P51 RT, REVERSE TRANSCRIPTASE/RIBONUCLEASE H | | Authors: | Spallarossa, A, Cesarini, S, Ranise, A, Ponassi, M, Unge, T, Bolognesi, M. | | Deposit date: | 2007-11-08 | | Release date: | 2007-12-11 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (3.01 Å) | | Cite: | Crystal Structures of HIV-1 Reverse Transcriptase Complexes with Thiocarbamate Non-Nucleoside Inhibitors.
Biochem.Biophys.Res.Commun., 365, 2008
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4MTZ
 | | Structure of XIAP-BIR1 in complex with NF023 | | Descriptor: | 8-({3-[({3-[(4,6,8-trisulfonaphthalen-1-yl)carbamoyl]phenyl}carbamoyl)amino]benzoyl}amino)naphthalene-1,3,5-trisulfonic acid, E3 ubiquitin-protein ligase XIAP, SULFATE ION, ... | | Authors: | Cossu, F, Milani, M, Grassi, S, Mastrangelo, E, Bolognesi, M. | | Deposit date: | 2013-09-20 | | Release date: | 2014-09-24 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Protein-protein interactions in nfkb pathway: novel tools to promote apoptosis in cancer therapy
To be Published
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1AFE
 | | HUMAN ALPHA-THROMBIN INHIBITION BY CBZ-PRO-AZALYS-ONP | | Descriptor: | 2-[N'-(4-AMINO-BUTYL)-HYDRAZINOCARBONYL]-PYRROLIDINE-1-CARBOXYLIC ACID BENZYL ESTER, 2-acetamido-2-deoxy-beta-D-glucopyranose, ALPHA-THROMBIN (LARGE SUBUNIT), ... | | Authors: | De Simone, G, Balliano, G, Milla, P, Gallina, C, Giordano, C, Tarricone, C, Rizzi, M, Bolognesi, M, Ascenzi, P. | | Deposit date: | 1997-03-06 | | Release date: | 1997-12-03 | | Last modified: | 2023-08-02 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Human alpha-thrombin inhibition by the highly selective compounds N-ethoxycarbonyl-D-Phe-Pro-alpha-azaLys p-nitrophenyl ester and N-carbobenzoxy-Pro-alpha-azaLys p-nitrophenyl ester: a kinetic, thermodynamic and X-ray crystallographic study.
J.Mol.Biol., 269, 1997
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1KFR
 | | Structural plasticity in the eight-helix fold of a trematode hemoglobin | | Descriptor: | Hemoglobin, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION | | Authors: | Milani, M, Pesce, A, Dewilde, S, Ascenzi, P, Moens, L, Bolognesi, M. | | Deposit date: | 2001-11-22 | | Release date: | 2002-04-24 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Structural plasticity in the eight-helix fold of a trematode haemoglobin.
Acta Crystallogr.,Sect.D, 58, 2002
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1URR
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1AE8
 | | HUMAN ALPHA-THROMBIN INHIBITION BY EOC-D-PHE-PRO-AZALYS-ONP | | Descriptor: | 1-ETHOXYCARBONYL-D-PHE-PRO-2(4-AMINOBUTYL)HYDRAZINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, ALPHA-THROMBIN (LARGE SUBUNIT), ... | | Authors: | De Simone, G, Balliano, G, Milla, P, Gallina, C, Giordano, C, Tarricone, C, Rizzi, M, Bolognesi, M, Ascenzi, P. | | Deposit date: | 1997-03-06 | | Release date: | 1997-12-03 | | Last modified: | 2023-08-02 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Human alpha-thrombin inhibition by the highly selective compounds N-ethoxycarbonyl-D-Phe-Pro-alpha-azaLys p-nitrophenyl ester and N-carbobenzoxy-Pro-alpha-azaLys p-nitrophenyl ester: a kinetic, thermodynamic and X-ray crystallographic study.
J.Mol.Biol., 269, 1997
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4OJ3
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3EYL
 | | Crystal structure of XIAP BIR3 domain in complex with a Smac-mimetic compound | | Descriptor: | (3S,6S,7R,9aS)-6-{[(2S)-2-aminobutanoyl]amino}-7-(2-aminoethyl)-N-(diphenylmethyl)-5-oxooctahydro-1H-pyrrolo[1,2-a]azepine-3-carboxamide, Baculoviral IAP repeat-containing protein 4, ZINC ION | | Authors: | Cossu, F, Milani, M, Mastrangelo, E, Bolognesi, M. | | Deposit date: | 2008-10-21 | | Release date: | 2008-11-25 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Designing Smac-mimetics as antagonists of XIAP, cIAP1, and cIAP2.
Biochem.Biophys.Res.Commun., 378, 2009
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4OJH
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4OJG
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3QJ4
 | | Crystal structure of Human Renalase (isoform 1) | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, Renalase, SULFATE ION | | Authors: | Milani, M, Ciriello, F, Baroni, S, Pandini, V, Aliverti, A, Canevari, G, Bolognesi, M. | | Deposit date: | 2011-01-28 | | Release date: | 2011-07-13 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | FAD-binding site and NADP reactivity in human renalase: a new enzyme involved in blood pressure regulation
J.Mol.Biol., 411, 2011
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8A11
 | | Cryo-EM structure of the Human SHMT1-RNA complex | | Descriptor: | PYRIDOXAL-5'-PHOSPHATE, Serine hydroxymethyltransferase, cytosolic | | Authors: | Spizzichino, S, Marabelli, C, Bharadwaj, A, Jakobi, A.J, Chaves-Sanjuan, A, Giardina, G, Bolognesi, M, Cutruzzola, F. | | Deposit date: | 2022-05-30 | | Release date: | 2023-06-14 | | Last modified: | 2024-05-08 | | Method: | ELECTRON MICROSCOPY (3.52 Å) | | Cite: | Cryo-EM structure of the Human SHMT1-RNA complex
To Be Published
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7ZTH
 | | Cryo-EM structure of holo-PdxR from Bacillus clausii bound to its target DNA in the open conformation | | Descriptor: | DNA (48-MER), PLP-dependent aminotransferase family protein | | Authors: | Freda, I, Montemiglio, L.C, Tramonti, A, Contestabile, R, Vallone, B, Exertier, C, Savino, C, Chaves Sanjuan, A, Bolognesi, M. | | Deposit date: | 2022-05-10 | | Release date: | 2023-07-05 | | Last modified: | 2024-01-17 | | Method: | ELECTRON MICROSCOPY (4 Å) | | Cite: | Structural insights into the DNA recognition mechanism by the bacterial transcription factor PdxR.
Nucleic Acids Res., 51, 2023
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4L3C
 | | Structure of HLA-A2 in complex with D76N b2m mutant and NY-ESO1 double mutant | | Descriptor: | Beta-2-microglobulin, CHLORIDE ION, GLYCEROL, ... | | Authors: | Halabelian, L, Giorgetti, S, Bellotti, V, Bolognesi, M, Ricagno, S. | | Deposit date: | 2013-06-05 | | Release date: | 2013-12-25 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.64 Å) | | Cite: | Class I Major Histocompatibility Complex, the Trojan Horse for Secretion of Amyloidogenic beta 2-Microglobulin.
J.Biol.Chem., 289, 2014
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7ZN5
 | | Cryo-EM structure of holo-PdxR from Bacillus clausii bound to its target DNA in the closed conformation, C2 symmetry. | | Descriptor: | DNA (48-MER), PLP-dependent aminotransferase family protein | | Authors: | Freda, I, Montemiglio, L.C, Tramonti, A, Contestabile, R, Vallone, B, Exertier, C, Savino, C, Chaves Sanjuan, A, Bolognesi, M. | | Deposit date: | 2022-04-20 | | Release date: | 2023-07-05 | | Last modified: | 2024-01-17 | | Method: | ELECTRON MICROSCOPY (3.7 Å) | | Cite: | Structural insights into the DNA recognition mechanism by the bacterial transcription factor PdxR.
Nucleic Acids Res., 51, 2023
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7ZLA
 | | Cryo-EM structure of holo-PdxR from Bacillus clausii bound to its target DNA in the half-closed conformation | | Descriptor: | DNA (48-MER), PLP-dependent aminotransferase family protein | | Authors: | Freda, I, Montemiglio, L.C, Tramonti, A, Contestabile, R, Vallone, B, Savino, C, Exertier, C, Bolognesi, M, Chaves Sanjuan, A. | | Deposit date: | 2022-04-14 | | Release date: | 2023-07-05 | | Last modified: | 2024-01-17 | | Method: | ELECTRON MICROSCOPY (3.99 Å) | | Cite: | Structural insights into the DNA recognition mechanism by the bacterial transcription factor PdxR.
Nucleic Acids Res., 51, 2023
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7ZPA
 | | Cryo-EM structure of holo-PdxR from Bacillus clausii bound to its target DNA in the closed conformation, C1 symmetry | | Descriptor: | DNA (48-MER), PLP-dependent aminotransferase family protein | | Authors: | Freda, I, Montemiglio, L.C, Tramonti, A, Contestabile, R, Vallone, B, Exertier, C, Savino, C, Chaves Sanjuan, A, Bolognesi, M. | | Deposit date: | 2022-04-27 | | Release date: | 2023-07-05 | | Last modified: | 2024-01-17 | | Method: | ELECTRON MICROSCOPY (3.9 Å) | | Cite: | Structural insights into the DNA recognition mechanism by the bacterial transcription factor PdxR.
Nucleic Acids Res., 51, 2023
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2VYW
 | | Hemoglobin (Hb2) from trematode Fasciola hepatica | | Descriptor: | HEMOGLOBIN, OXYGEN MOLECULE, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Dewilde, S, Ioanitescu, A.I, Kiger, L, Gilany, K, Marden, M.C, Van Doorslaer, S, Vercruysse, J, Pesce, A, Nardini, M, Bolognesi, M, Moens, L. | | Deposit date: | 2008-07-29 | | Release date: | 2008-08-12 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | The Hemoglobins of the Trematodes Fasciola Hepatica and Paramphistomum Epiclitum: A Molecular Biological, Physico-Chemical, Kinetic, and Vaccination Study.
Protein Sci., 17, 2008
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4L29
 | | Structure of wtMHC class I with NY-ESO1 double mutant | | Descriptor: | Beta-2-microglobulin, CHLORIDE ION, GLYCEROL, ... | | Authors: | Halabelian, L, Giorgetti, S, Bellotti, V, Bolognesi, M, Ricagno, S. | | Deposit date: | 2013-06-04 | | Release date: | 2013-12-25 | | Last modified: | 2014-02-26 | | Method: | X-RAY DIFFRACTION (3.09 Å) | | Cite: | Class I Major Histocompatibility Complex, the Trojan Horse for Secretion of Amyloidogenic beta 2-Microglobulin.
J.Biol.Chem., 289, 2014
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4RA3
 | | Crystal structure of dimeric S33C beta-2 microglobulin mutant in complex with Thioflavin (ThT) at 2.8 Angstrom resolution | | Descriptor: | 2-[4-(dimethylamino)phenyl]-3,6-dimethyl-1,3-benzothiazol-3-ium, Beta-2-microglobulin | | Authors: | Halabelian, L, Bolognesi, M, Ricagno, S. | | Deposit date: | 2014-09-09 | | Release date: | 2015-09-09 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | A covalent homodimer probing early oligomers along amyloid aggregation.
Sci Rep, 5, 2015
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3ZJI
 | | Tyr(61)B10Ala mutation of M.acetivorans protoglobin in complex with cyanide | | Descriptor: | CYANIDE ION, GLYCEROL, PROTOGLOBIN, ... | | Authors: | Pesce, A, Tilleman, L, Donne, J, Aste, E, Ascenzi, P, Ciaccio, C, Coletta, M, Moens, L, Viappiani, C, Dewilde, S, Bolognesi, M, Nardini, M. | | Deposit date: | 2013-01-18 | | Release date: | 2013-06-26 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Structure and Haem-Distal Site Plasticity in Methanosarcina Acetivorans Protoglobin.
Plos One, 8, 2013
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3ZOL
 | | M.acetivorans protoglobin F93Y mutant in complex with cyanide | | Descriptor: | CYANIDE ION, GLYCEROL, PROTOGLOBIN, ... | | Authors: | Tilleman, L, Abbruzzetti, S, Ciaccio, C, De Sanctis, G, Nardini, M, Pesce, A, Desmet, F, Moens, L, Van Doorslaer, S, Bruno, S, Bolognesi, M, Ascenzi, P, Coletta, M, Viappiani, C, Dewilde, S. | | Deposit date: | 2013-02-22 | | Release date: | 2014-03-12 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structural Bases for the Regulation of Co Binding in the Archaeal Protoglobin from Methanosarcina Acetivorans.
Plos One, 10, 2015
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4R9H
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4RAH
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3ZJM
 | | Ile(149)G11Phe mutation of M.acetivorans protoglobin in complex with cyanide | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CYANIDE ION, GLYCEROL, ... | | Authors: | Pesce, A, Tilleman, L, Donne, J, Aste, E, Ascenzi, P, Ciaccio, C, Coletta, M, Moens, L, Viappiani, C, Dewilde, S, Bolognesi, M, Nardini, M. | | Deposit date: | 2013-01-18 | | Release date: | 2013-06-26 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Structure and Haem-Distal Site Plasticity in Methanosarcina Acetivorans Protoglobin.
Plos One, 8, 2013
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