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PDB: 68 results

6Z2Z
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M2 mutant (R111K:Y134F:T54V:R132Q:P39Y:R59Y) of human cellular retinoic acid binding protein II - 2a conjugate
Descriptor: Cellular retinoic acid-binding protein 2, methyl (~{Z})-3-(6-ethynylnaphthalen-2-yl)-2-methyl-prop-2-enoate
Authors:Tassone, G, Pozzi, C, Mangani, S.
Deposit date:2020-05-19
Release date:2021-06-02
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Xanthopsin-Like Systems via Site-Specific Click-Functionalization of a Retinoic Acid Binding Protein.
Chembiochem, 23, 2022
6Z2U
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M2 mutant (R111K:Y134F:T54V:R132Q:P39Y:R59Y) of human cellular retinoic acid binding protein II
Descriptor: Cellular retinoic acid-binding protein 2
Authors:Tassone, G, Pozzi, C, Mangani, S.
Deposit date:2020-05-18
Release date:2021-06-02
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Xanthopsin-Like Systems via Site-Specific Click-Functionalization of a Retinoic Acid Binding Protein.
Chembiochem, 23, 2022
8OF2
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Trypanosoma brucei pteridine reductase 1 (TbPTR1) in complex with 2,4,6 triamminopyrimidine (TAP)
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Tassone, G, Landi, G, Mangani, S, Pozzi, C.
Deposit date:2023-03-13
Release date:2023-12-13
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:The discovery of aryl-2-nitroethyl triamino pyrimidines as anti-Trypanosoma brucei agents.
Eur.J.Med.Chem., 264, 2023
8BDY
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Crystal structure of TRIM33 alpha PHD-Bromo domain in complex with 9
Descriptor: 1,3-dimethylbenzimidazol-2-one, CALCIUM ION, E3 ubiquitin-protein ligase TRIM33, ...
Authors:Tassone, G, Pozzi, C, Palomba, T.
Deposit date:2022-10-20
Release date:2022-12-07
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (3.05 Å)
Cite:Exploiting ELIOT for Scaffold-Repurposing Opportunities: TRIM33 a Possible Novel E3 Ligase to Expand the Toolbox for PROTAC Design.
Int J Mol Sci, 23, 2022
8BD9
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Crystal structure of TRIM33 alpha PHD-Bromo domain in complex with 10
Descriptor: 1,3-dimethylbenzimidazol-2-one, CALCIUM ION, E3 ubiquitin-protein ligase TRIM33, ...
Authors:Tassone, G, Pozzi, C, Palomba, T.
Deposit date:2022-10-18
Release date:2022-12-07
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Exploiting ELIOT for Scaffold-Repurposing Opportunities: TRIM33 a Possible Novel E3 Ligase to Expand the Toolbox for PROTAC Design.
Int J Mol Sci, 23, 2022
8BD8
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Crystal structure of TRIM33 alpha PHD-Bromo domain in complex with 8
Descriptor: 1,3-dimethylbenzimidazol-2-one, CALCIUM ION, E3 ubiquitin-protein ligase TRIM33, ...
Authors:Tassone, G, Pozzi, C, Palomba, T.
Deposit date:2022-10-18
Release date:2022-12-07
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Exploiting ELIOT for Scaffold-Repurposing Opportunities: TRIM33 a Possible Novel E3 Ligase to Expand the Toolbox for PROTAC Design.
Int J Mol Sci, 23, 2022
7PP0
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BU of 7pp0 by Molmil
Crystal structure of the VIM-2 acquired metallo-beta-Lactamase in complex with compound 28 (JMV-7038)
Descriptor: 2-[2-[3-[3-(2-morpholin-4-ylethoxy)phenyl]-5-sulfanylidene-1H-1,2,4-triazol-4-yl]ethyl]benzoic acid, ACETATE ION, Metallo-beta-lactamase VIM-2-like protein, ...
Authors:Tassone, G, Benvenuti, M, Verdirosa, F, Corsica, G, Chelini, G, De Luca, F, Docquier, J.D, Pozzi, C, Mangani, S.
Deposit date:2021-09-10
Release date:2022-03-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:1,2,4-Triazole-3-Thione Analogues with a 2-Ethylbenzoic Acid at Position 4 as VIM-type Metallo-beta-Lactamase Inhibitors.
Chemmedchem, 17, 2022
7OVH
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Crystal structure of the VIM-2 acquired metallo-beta-Lactamase in Complex with compound 14 (JMV-6931)
Descriptor: ACETATE ION, Metallo-beta-lactamase VIM-2-like protein, UNKNOWN LIGAND, ...
Authors:Tassone, G, Benvenuti, M, Verdirosa, F, Sannio, F, Marcoccia, F, Docquier, J.D, Pozzi, C, Mangani, S.
Deposit date:2021-06-14
Release date:2021-10-20
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:1,2,4-Triazole-3-thione compounds with a 4-ethyl alkyl/aryl sulfide substituent are broad-spectrum metallo-beta-lactamase inhibitors with re-sensitization activity.
Eur.J.Med.Chem., 226, 2021
7OVE
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Crystal structure of the VIM-2 acquired metallo-beta-Lactamase in Complex with compound 10 (JMV-7210)
Descriptor: ACETATE ION, Metallo-beta-lactamase VIM-2-like protein, UNKNOWN LIGAND, ...
Authors:Tassone, G, Benvenuti, M, Verdirosa, F, Sannio, F, Mangani, S, Docquier, J.D, Pozzi, C, Marcoccia, F.
Deposit date:2021-06-14
Release date:2021-10-20
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:1,2,4-Triazole-3-thione compounds with a 4-ethyl alkyl/aryl sulfide substituent are broad-spectrum metallo-beta-lactamase inhibitors with re-sensitization activity.
Eur.J.Med.Chem., 226, 2021
7OVF
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Crystal structure of the VIM-2 acquired metallo-beta-Lactamase in Complex with compound 8 (JMV-7207)
Descriptor: 4-[2-[(4-fluorophenyl)methylsulfanyl]ethyl]-3-phenyl-1H-1,2,4-triazole-5-thione, ACETATE ION, Metallo-beta-lactamase VIM-2-like protein, ...
Authors:Tassone, G, Benvenuti, M, Verdirosa, F, Sannio, F, Marcoccia, F, Docquier, J.D, Pozzi, C, Mangani, S.
Deposit date:2021-06-14
Release date:2021-10-20
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:1,2,4-Triazole-3-thione compounds with a 4-ethyl alkyl/aryl sulfide substituent are broad-spectrum metallo-beta-lactamase inhibitors with re-sensitization activity.
Eur.J.Med.Chem., 226, 2021
8A4M
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BU of 8a4m by Molmil
Crystal structure of the VIM-2 acquired metallo-beta-Lactamase in complex with compound 8 (JMV-7061)
Descriptor: (2~{S})-2-[bis(1~{H}-imidazol-4-ylmethyl)amino]-5-(3-phenyl-5-sulfanylidene-1~{H}-1,2,4-triazol-4-yl)pentanoic acid, ACETATE ION, Metallo-beta-lactamase VIM-2-like protein, ...
Authors:Tassone, G, Benvenuti, M, Verdirosa, F, Corsica, G, Sannio, F, Docquier, J.D, Pozzi, C, Mangani, S.
Deposit date:2022-06-13
Release date:2023-04-26
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Optimization of 1,2,4-Triazole-3-thiones toward Broad-Spectrum Metallo-beta-lactamase Inhibitors Showing Potent Synergistic Activity on VIM- and NDM-1-Producing Clinical Isolates.
J.Med.Chem., 65, 2022
8A59
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BU of 8a59 by Molmil
C-type lectin-like domain (CTLD) and Sushi-like domain of human CD93
Descriptor: Complement component C1q receptor, GLYCEROL, SULFATE ION
Authors:Tassone, G, Barbera, S, Raucci, L, Orlandini, M, Pozzi, C.
Deposit date:2022-06-14
Release date:2022-11-02
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Dimerization of the C-type lectin-like receptor CD93 promotes its binding to Multimerin-2 in endothelial cells.
Int.J.Biol.Macromol., 224, 2023
8AGI
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BU of 8agi by Molmil
Structure of human Heat shock protein 90-alpha N-terminal domain (Hsp90-NTD) in complex with JMC31
Descriptor: 1-[2,4-bis(oxidanyl)-5-propan-2-yl-phenyl]-5-[4-[(cyclohexylmethylamino)methyl]phenyl]-~{N}-ethyl-1,2,3-triazole-4-carboxamide, Heat shock protein HSP 90-alpha
Authors:Tassone, G, Pozzi, C, Mazzorana, M, Mangani, S, Maramai, S.
Deposit date:2022-07-20
Release date:2022-09-07
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural Characterization of Human Heat Shock Protein 90 N-Terminal Domain and Its Variants K112R and K112A in Complex with a Potent 1,2,3-Triazole-Based Inhibitor.
Int J Mol Sci, 23, 2022
8AGJ
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BU of 8agj by Molmil
Structure of human Heat shock protein 90-alpha N-terminal domain (Hsp90-NTD) variant K112A in complex with JMC31
Descriptor: 1-[2,4-bis(oxidanyl)-5-propan-2-yl-phenyl]-5-[4-[(cyclohexylmethylamino)methyl]phenyl]-~{N}-ethyl-1,2,3-triazole-4-carboxamide, Heat shock protein HSP 90-alpha
Authors:Tassone, G, Pozzi, C, Mazzorana, M, Mangani, S, Maramai, S.
Deposit date:2022-07-20
Release date:2022-09-07
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.32 Å)
Cite:Structural Characterization of Human Heat Shock Protein 90 N-Terminal Domain and Its Variants K112R and K112A in Complex with a Potent 1,2,3-Triazole-Based Inhibitor.
Int J Mol Sci, 23, 2022
8AGL
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BU of 8agl by Molmil
Structure of human Heat shock protein 90-alpha N-terminal domain (Hsp90-NTD) variant K112R in complex with JMC31
Descriptor: 1-[2,4-bis(oxidanyl)-5-propan-2-yl-phenyl]-5-[4-[(cyclohexylmethylamino)methyl]phenyl]-~{N}-ethyl-1,2,3-triazole-4-carboxamide, Heat shock protein HSP 90-alpha
Authors:Tassone, G, Pozzi, C, Mazzorana, M, Mangani, S, Maramai, S.
Deposit date:2022-07-20
Release date:2022-09-07
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural Characterization of Human Heat Shock Protein 90 N-Terminal Domain and Its Variants K112R and K112A in Complex with a Potent 1,2,3-Triazole-Based Inhibitor.
Int J Mol Sci, 23, 2022
9ETC
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BU of 9etc by Molmil
Crystal structure of recombinant chicken liver Bile Acid Binding Protein (cL-BABP) in complex with chenodeoxycholic acid
Descriptor: CHENODEOXYCHOLIC ACID, Fatty acid-binding protein, liver
Authors:Tassone, G, Pozzi, C.
Deposit date:2024-03-26
Release date:2024-10-09
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Exploiting the bile acid binding protein as transporter of a Cholic Acid/Mirin bioconjugate for potential applications in liver cancer therapy.
Sci Rep, 14, 2024
9ETG
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BU of 9etg by Molmil
Crystal structure of recombinant chicken liver Bile Acid Binding Protein (cL-BABP) in complex with CA-M11
Descriptor: Fatty acid-binding protein, liver, [4-[(2-azanyl-4-oxidanylidene-1,3-thiazol-5-yl)methyl]phenyl] (4~{R})-4-[(3~{R},5~{R},7~{R},8~{R},9~{S},10~{S},12~{S},13~{R},14~{S},17~{R})-10,13-dimethyl-3,7,12-tris(oxidanyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1~{H}-cyclopenta[a]phenanthren-17-yl]pentanoate
Authors:Tassone, G, Pozzi, C, Maramai, S.
Deposit date:2024-03-26
Release date:2024-10-09
Method:X-RAY DIFFRACTION (2 Å)
Cite:Exploiting the bile acid binding protein as transporter of a Cholic Acid/Mirin bioconjugate for potential applications in liver cancer therapy.
Sci Rep, 14, 2024
9FXG
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Crystal structure of double mutant Y115E Y117E human Glutaminyl Cyclase in apo-state
Descriptor: 1,2-ETHANEDIOL, Glutaminyl-peptide cyclotransferase, SULFATE ION
Authors:Tassone, G, Pozzi, C, Mangani, S.
Deposit date:2024-07-01
Release date:2024-09-04
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Metal Ion Binding to Human Glutaminyl Cyclase: A Structural Perspective.
Int J Mol Sci, 25, 2024
9FXI
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Crystal structure of cobalt(II)-substituted double mutant Y115E Y117E human Glutaminyl Cyclase in complex with SEN177
Descriptor: 2-fluoranyl-5-[2-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]pyridin-3-yl]pyridine, COBALT (II) ION, Glutaminyl-peptide cyclotransferase, ...
Authors:Tassone, G, Pozzi, C, Mangani, S.
Deposit date:2024-07-01
Release date:2024-09-04
Method:X-RAY DIFFRACTION (3.06 Å)
Cite:Metal Ion Binding to Human Glutaminyl Cyclase: A Structural Perspective.
Int J Mol Sci, 25, 2024
9FXJ
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Crystal structure of cobalt(II)-substituted double mutant Y115E Y117E human Glutaminyl Cyclase in complex with PBD-150
Descriptor: 1-(3,4-dimethoxyphenyl)-3-[3-(1H-imidazol-1-yl)propyl]thiourea, COBALT (II) ION, Glutaminyl-peptide cyclotransferase, ...
Authors:Tassone, G, Pozzi, C, Mangani, S.
Deposit date:2024-07-01
Release date:2024-09-04
Method:X-RAY DIFFRACTION (3.06 Å)
Cite:Metal Ion Binding to Human Glutaminyl Cyclase: A Structural Perspective.
Int J Mol Sci, 25, 2024
9FXH
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BU of 9fxh by Molmil
Crystal structure of cobalt(II)-substituted double mutant Y115E Y117E human Glutaminyl Cyclase
Descriptor: COBALT (II) ION, GLYCEROL, Glutaminyl-peptide cyclotransferase, ...
Authors:Tassone, G, Pozzi, C, Mangani, S.
Deposit date:2024-07-01
Release date:2024-09-04
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Metal Ion Binding to Human Glutaminyl Cyclase: A Structural Perspective.
Int J Mol Sci, 25, 2024
9ETE
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BU of 9ete by Molmil
Crystal structure of recombinant chicken liver Bile Acid Binding Protein (cL-BABP) in complex with deoxycholic acid
Descriptor: (3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-24-OIC ACID, Fatty acid-binding protein, liver
Authors:Tassone, G, Pozzi, C.
Deposit date:2024-03-26
Release date:2024-10-09
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Exploiting the bile acid binding protein as transporter of a Cholic Acid/Mirin bioconjugate for potential applications in liver cancer therapy.
Sci Rep, 14, 2024
9ETF
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BU of 9etf by Molmil
Crystal structure of recombinant chicken liver Bile Acid Binding Protein (cL-BABP) in complex with lithocholic acid
Descriptor: (3beta,5beta,14beta,17alpha)-3-hydroxycholan-24-oic acid, Fatty acid-binding protein, liver
Authors:Tassone, G, Pozzi, C.
Deposit date:2024-03-26
Release date:2024-10-09
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Exploiting the bile acid binding protein as transporter of a Cholic Acid/Mirin bioconjugate for potential applications in liver cancer therapy.
Sci Rep, 14, 2024
6TLG
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BU of 6tlg by Molmil
Ligand-free state of human 14-3-3 sigma isoform
Descriptor: 14-3-3 protein sigma, DI(HYDROXYETHYL)ETHER, SULFATE ION
Authors:Tassone, G, Pozzi, C, Mangani, S.
Deposit date:2019-12-02
Release date:2020-03-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Identification of Phosphate-Containing Compounds as New Inhibitors of 14-3-3/c-Abl Protein-Protein Interaction.
Acs Chem.Biol., 15, 2020
6TM7
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BU of 6tm7 by Molmil
Human 14-3-3 sigma isoform in complex with PLP
Descriptor: 14-3-3 protein sigma, PYRIDOXAL-5'-PHOSPHATE, SULFATE ION
Authors:Tassone, G, Pozzi, C, Mangani, S.
Deposit date:2019-12-03
Release date:2020-03-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3 Å)
Cite:Identification of Phosphate-Containing Compounds as New Inhibitors of 14-3-3/c-Abl Protein-Protein Interaction.
Acs Chem.Biol., 15, 2020

 

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