8QM0
 
 | | Crystal structure of the pneumococcal Substrate-binding protein AmiA in complex with Peptide 5 | | Descriptor: | ALA-LYS-THR-ILE-LYS-ILE-THR-GLN-THR-ARG, Oligopeptide-binding protein AmiA | | Authors: | Alcorlo, M, Abdullah, M.R, Hammerschmidt, S, Hermoso, J. | | Deposit date: | 2023-09-20 | | Release date: | 2024-05-22 | | Last modified: | 2024-07-03 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | Molecular and structural basis of oligopeptide recognition by the Ami transporter system in pneumococci.
Plos Pathog., 20, 2024
|
|
8QLV
 | | Crystal structure of the pneumococcal Substrate-binding protein AliB in complex with Peptide 4 | | Descriptor: | Oligopeptide-binding protein AliB, VAL-MET-VAL-LYS-GLY-PRO-GLY-PRO-GLY-ARG | | Authors: | Alcorlo, M, Abdullah, M.R, Hammerschmidt, S, Hermoso, J. | | Deposit date: | 2023-09-20 | | Release date: | 2024-05-22 | | Last modified: | 2024-07-03 | | Method: | X-RAY DIFFRACTION (1.49 Å) | | Cite: | Molecular and structural basis of oligopeptide recognition by the Ami transporter system in pneumococci.
Plos Pathog., 20, 2024
|
|
8QLR
 | | Human MST3 (STK24) kinase in complex with inhibitor MR24 | | Descriptor: | 1,2-ETHANEDIOL, 8-(4-azanylbutyl)-2-[1,3-bis(oxidanyl)propan-2-ylamino]-6-[2-chloranyl-4-(6-methylpyridin-2-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one, Serine/threonine-protein kinase 24 | | Authors: | Balourdas, D.I, Rak, M, Knapp, S, Joerger, A.C, Structural Genomics Consortium (SGC) | | Deposit date: | 2023-09-20 | | Release date: | 2023-11-08 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Development of Selective Pyrido[2,3- d ]pyrimidin-7(8 H )-one-Based Mammalian STE20-Like (MST3/4) Kinase Inhibitors.
J.Med.Chem., 67, 2024
|
|
8QLM
 | | Crystal structure of the pneumococcal Substrate-binding protein AliB in complex with Peptide 3 | | Descriptor: | Oligopeptide-binding protein AliB, PRO-ILE-VAL-GLY-GLY-HIS-GLU-GLY-ALA-GLY-VAL | | Authors: | Alcorlo, M, Abdullah, M.R, Hammerschmidt, S, Hermoso, J. | | Deposit date: | 2023-09-20 | | Release date: | 2024-05-22 | | Last modified: | 2024-07-03 | | Method: | X-RAY DIFFRACTION (1.66 Å) | | Cite: | Molecular and structural basis of oligopeptide recognition by the Ami transporter system in pneumococci.
Plos Pathog., 20, 2024
|
|
8QLK
 | | Crystal structure of the pneumococcal Substrate-binding protein AliB in complex with Peptide 2 | | Descriptor: | ALA-ILE-GLN-SER-GLU-LYS-ALA-ARG-LYS-HIS-ASN, Oligopeptide-binding protein AliB | | Authors: | Alcorlo, M, Abdullah, M.R, Hammerschmidt, S, Hermoso, J. | | Deposit date: | 2023-09-20 | | Release date: | 2024-05-22 | | Last modified: | 2024-07-03 | | Method: | X-RAY DIFFRACTION (2.29 Å) | | Cite: | Molecular and structural basis of oligopeptide recognition by the Ami transporter system in pneumococci.
Plos Pathog., 20, 2024
|
|
8QLJ
 | | Crystal structure of the pneumococcal Substrate-binding protein AliB in complex with an unknown peptide | | Descriptor: | ALA-ALA-ALA-ALA-ALA-ALA-ALA-ALA-ALA, Oligopeptide-binding protein AliB | | Authors: | Alcorlo, M, Abdullah, M.R, Hammerschmidt, S, Hermoso, J. | | Deposit date: | 2023-09-20 | | Release date: | 2024-05-22 | | Last modified: | 2024-07-03 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Molecular and structural basis of oligopeptide recognition by the Ami transporter system in pneumococci.
Plos Pathog., 20, 2024
|
|
8QLH
 | |
8QLG
 | | Crystal structure of the pneumococcal Substrate-binding protein AliD in closed conformation in complex with Peptide 1 | | Descriptor: | AliD, Peptide 1, ZINC ION | | Authors: | Alcorlo, M, Abdullah, M.R, Hammerschmidt, S, Hermoso, J. | | Deposit date: | 2023-09-19 | | Release date: | 2024-05-22 | | Last modified: | 2024-07-03 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Molecular and structural basis of oligopeptide recognition by the Ami transporter system in pneumococci.
Plos Pathog., 20, 2024
|
|
8QLD
 | | Bacteriophage T5 dUTPase mutant with loop deletion (30-35 aa) | | Descriptor: | CHLORIDE ION, Deoxyuridine 5'-triphosphate nucleotidohydrolase, GLYCEROL, ... | | Authors: | Gabdulkhakov, A.G, Dzhus, U.F, Selikhanov, G.K, Glukhov, A.S. | | Deposit date: | 2023-09-19 | | Release date: | 2024-01-17 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Bacteriophage T5 dUTPase: Combination of Common Enzymatic and Novel Functions.
Int J Mol Sci, 25, 2024
|
|
8QLC
 | | Crystal structure of the pneumococcal Substrate-binding protein AliD in open conformation | | Descriptor: | AliD, MAGNESIUM ION | | Authors: | Alcorlo, M, Abdullah, M.R, Hammerschmidt, S, Hermoso, J. | | Deposit date: | 2023-09-19 | | Release date: | 2024-05-22 | | Last modified: | 2024-07-03 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Molecular and structural basis of oligopeptide recognition by the Ami transporter system in pneumococci.
Plos Pathog., 20, 2024
|
|
8QL0
 | |
8QKY
 | | Bacteriophage T5 dUTPase | | Descriptor: | Deoxyuridine 5'-triphosphate nucleotidohydrolase, GLYCEROL | | Authors: | Gabdulkhakov, A.G, Dzhus, U.F, Selikhanov, G.K, Glukhov, A.S. | | Deposit date: | 2023-09-18 | | Release date: | 2024-01-17 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Bacteriophage T5 dUTPase: Combination of Common Enzymatic and Novel Functions.
Int J Mol Sci, 25, 2024
|
|
8QKT
 | |
8QKJ
 | | PvSub1 Catalytic Domain in Complex with Peptidomimetic Inhibitor (MAM-133) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Peptidomimetic Inhibitor (MAM-133), ... | | Authors: | Batista, F.A, Martinez, M, Bouillon, A, Mechaly, A, Alzari, P.M, Haouz, A, Barale, J.C. | | Deposit date: | 2023-09-15 | | Release date: | 2024-03-20 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.767 Å) | | Cite: | Insights from structure-activity relationships and the binding mode of peptidic alpha-ketoamide inhibitors of the malaria drug target subtilisin-like SUB1.
Eur.J.Med.Chem., 269, 2024
|
|
8QKG
 | | PvSub1 Catalytic Domain in Complex with Peptidomimetic Inhibitor (MAM-125) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Peptidomimetic Inhibitor (MAM-125), ... | | Authors: | Batista, F.A, Martinez, M, Bouillon, A, Mechaly, A, Alzari, P.M, Haouz, A, Barale, J.C. | | Deposit date: | 2023-09-15 | | Release date: | 2024-03-20 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.538 Å) | | Cite: | Insights from structure-activity relationships and the binding mode of peptidic alpha-ketoamide inhibitors of the malaria drug target subtilisin-like SUB1.
Eur.J.Med.Chem., 269, 2024
|
|
8QKE
 | | PvSub1 Catalytic Domain in Complex with Peptidomimetic Inhibitor (MH-13) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Peptidomimetic Inhibitor (MH-13), ... | | Authors: | Batista, F.A, Martinez, M, Bouillon, A, Mechaly, A, Alzari, P.M, Haouz, A, Barale, J.C. | | Deposit date: | 2023-09-15 | | Release date: | 2024-03-20 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.504 Å) | | Cite: | Insights from structure-activity relationships and the binding mode of peptidic alpha-ketoamide inhibitors of the malaria drug target subtilisin-like SUB1.
Eur.J.Med.Chem., 269, 2024
|
|
8QJR
 | | BRG1 bromodomain in complex with VBC via compound 17 | | Descriptor: | (2S,4R)-1-[(2R)-2-[3-[2-[4-[3-[4-[(1R,5S)-3-[3-azanyl-6-(2-hydroxyphenyl)pyridazin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]pyridin-2-yl]oxycyclobutyl]oxypiperidin-1-yl]ethoxy]-1,2-oxazol-5-yl]-3-methyl-butanoyl]-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]-4-oxidanyl-pyrrolidine-2-carboxamide, CHLORIDE ION, Elongin-B, ... | | Authors: | Kerry, P.S, Hole, A.J, Perez-Dorado, J.I. | | Deposit date: | 2023-09-13 | | Release date: | 2024-01-17 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (3.17 Å) | | Cite: | PROTACs Targeting BRM (SMARCA2) Afford Selective In Vivo Degradation over BRG1 (SMARCA4) and Are Active in BRG1 Mutant Xenograft Tumor Models.
J.Med.Chem., 67, 2024
|
|
8QIJ
 | | Crystallographic Structure of a Salicylate Synthase from M. abscessus (Mab-SaS) | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | | Authors: | Cassetta, A, Covaceuszach, S, Tomaiuolo, M, Meneghetti, F, Villa, S, Mori, M, Chiarelli, L.R, Mangiatordi, G.F. | | Deposit date: | 2023-09-12 | | Release date: | 2024-01-31 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.073 Å) | | Cite: | Structural basis for specific inhibition of salicylate synthase from Mycobacterium abscessus.
Eur.J.Med.Chem., 265, 2024
|
|
8QIC
 | |
8QHR
 | | Crystal structure of the human DNPH1 glycosyl-enzyme intermediate | | Descriptor: | 1',2'-DIDEOXYRIBOFURANOSE-5'-PHOSPHATE, 1,2-ETHANEDIOL, 2'-deoxynucleoside 5'-phosphate N-hydrolase 1, ... | | Authors: | Rzechorzek, N.J, West, S.C. | | Deposit date: | 2023-09-09 | | Release date: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Mechanism of substrate hydrolysis by the human nucleotide pool sanitiser DNPH1.
Nat Commun, 14, 2023
|
|
8QHQ
 | | Crystal structure of human DNPH1 bound to hmdUMP | | Descriptor: | 1,2-ETHANEDIOL, 2'-deoxynucleoside 5'-phosphate N-hydrolase 1, 5-HYDROXYMETHYLURIDINE-2'-DEOXY-5'-MONOPHOSPHATE | | Authors: | Rzechorzek, N.J, West, S.C. | | Deposit date: | 2023-09-09 | | Release date: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | Mechanism of substrate hydrolysis by the human nucleotide pool sanitiser DNPH1.
Nat Commun, 14, 2023
|
|
8QHP
 | |
8QHM
 | | DNA mimic Foldamer with sticky ends | | Descriptor: | DNA mimic Foldamer | | Authors: | Deepak, D, Loos, M, Huc, I. | | Deposit date: | 2023-09-08 | | Release date: | 2023-10-11 | | Last modified: | 2024-04-24 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Enhancing the Features of DNA Mimic Foldamers for Structural Investigations.
Chemistry, 30, 2024
|
|
8QHK
 | | Crystal structure of reduced respiratory Complex I subunits NuoEF from Aquifex aeolicus bound to reduced 3-acetylpyridine adenine dinucleotide | | Descriptor: | 1-DEOXY-1-(7,8-DIMETHYL-2,4-DIOXO-3,4-DIHYDRO-2H-BENZO[G]PTERIDIN-1-ID-10(5H)-YL)-5-O-PHOSPHONATO-D-RIBITOL, ACETYL PYRIDINE ADENINE DINUCLEOTIDE, REDUCED, ... | | Authors: | Wohlwend, D, Friedrich, T, Bucka, S. | | Deposit date: | 2023-09-08 | | Release date: | 2024-04-03 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Structures of 3-acetylpyridine adenine dinucleotide and ADP-ribose bound to the electron input module of respiratory complex I.
Structure, 32, 2024
|
|
8QHE
 | | Crystal structure IR-09 | | Descriptor: | 6-phosphogluconate dehydrogenase NADP-binding domain-containing protein, MAGNESIUM ION, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | Authors: | Levy, C.W. | | Deposit date: | 2023-09-07 | | Release date: | 2023-10-11 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Biocatalysis in Drug Design: Engineered Reductive Aminases (RedAms) Are Used to Access Chiral Building Blocks with Multiple Stereocenters.
J.Am.Chem.Soc., 145, 2023
|
|
