9FLH
 
 | | Crystal structure of the C-terminal domain of VldE from Streptococcus pneumoniae containing four zinc atoms at the binding site | | Descriptor: | ACETATE ION, CADMIUM ION, LysM domain-containing protein, ... | | Authors: | Acebron, I, Miguel-Ruano, V, Straume, D, Havarstein, L.S, Hermoso, J.A. | | Deposit date: | 2024-06-05 | | Release date: | 2025-01-22 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Characterization of VldE (Spr1875), a Pneumococcal Two-State l,d-Endopeptidase with a Four-Zinc Cluster in the Active Site.
Acs Catalysis, 14, 2024
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9FLL
 | | Crystal structure of the C-terminal domain of VldE from Streptococcus pneumoniae containing a zinc atom at the binding site | | Descriptor: | ACETATE ION, CADMIUM ION, LysM domain-containing protein, ... | | Authors: | Acebron, I, Miguel-Ruano, V, Hermoso, J.A. | | Deposit date: | 2024-06-05 | | Release date: | 2025-01-22 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Characterization of VldE (Spr1875), a Pneumococcal Two-State l,d-Endopeptidase with a Four-Zinc Cluster in the Active Site.
Acs Catalysis, 14, 2024
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9FLJ
 | | Crystal structure of the C-terminal domain of VldE from Streptococcus pneumoniae containing three zinc atoms at the binding site | | Descriptor: | ACETATE ION, CADMIUM ION, LysM domain-containing protein, ... | | Authors: | Acebron, I, Miguel-Ruano, V, Hermoso, J.A. | | Deposit date: | 2024-06-05 | | Release date: | 2025-01-22 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Characterization of VldE (Spr1875), a Pneumococcal Two-State l,d-Endopeptidase with a Four-Zinc Cluster in the Active Site.
Acs Catalysis, 14, 2024
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9FLM
 | | Crystal structure of the C-terminal domain of VldE from Streptococcus pneumoniae in a catalytically competent conformation | | Descriptor: | LysM domain-containing protein, ZINC ION | | Authors: | Miguel-Ruano, V, Acebron, I, P.de Jose, U, Straume, D, Havarstein, L.S, Hermoso, J.A. | | Deposit date: | 2024-06-05 | | Release date: | 2025-01-22 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Characterization of VldE (Spr1875), a Pneumococcal Two-State l,d-Endopeptidase with a Four-Zinc Cluster in the Active Site.
Acs Catalysis, 14, 2024
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9FLK
 | | Crystal structure of the C-terminal domain of VldE from Streptococcus pneumoniae containing two zinc atoms at the binding site | | Descriptor: | CADMIUM ION, LysM domain-containing protein, ZINC ION | | Authors: | Acebron, I, Miguel-Ruano, V, Hermoso, J.A. | | Deposit date: | 2024-06-05 | | Release date: | 2025-01-22 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Characterization of VldE (Spr1875), a Pneumococcal Two-State l,d-Endopeptidase with a Four-Zinc Cluster in the Active Site.
Acs Catalysis, 14, 2024
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8TQV
 | | Crystal Structure of Mtb Pks13 Thioesterase domain in complex with inhibitor X20403 | | Descriptor: | 4-(2-{(4M)-4-[(6M)-6-(2,5-dimethoxyphenyl)pyridin-3-yl]-1H-1,2,3-triazol-1-yl}ethyl)-N-{[1-(methoxymethyl)cyclopropyl]methyl}-N-methylbenzamide, Polyketide synthase Pks13, SULFATE ION | | Authors: | Krieger, I.V, Sacchettini, J.C. | | Deposit date: | 2023-08-08 | | Release date: | 2024-04-24 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Inhibitors of the Thioesterase Activity of Mycobacterium tuberculosis Pks13 Discovered Using DNA-Encoded Chemical Library Screening.
Acs Infect Dis., 10, 2024
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8TRY
 | | Crystal Structure of Mtb Pks13 Thioesterase domain in complex with inhibitor X20348 | | Descriptor: | N-{(2S,3S)-4-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]-3-hydroxy-1-phenylbutan-2-yl}-4-(2-methylbutan-2-yl)benzene-1-sulfonamide, Polyketide synthase Pks13, SULFATE ION | | Authors: | Krieger, I.V, Sacchettini, J.C. | | Deposit date: | 2023-08-10 | | Release date: | 2024-04-24 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Inhibitors of the Thioesterase Activity of Mycobacterium tuberculosis Pks13 Discovered Using DNA-Encoded Chemical Library Screening.
Acs Infect Dis., 10, 2024
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8TQG
 | | Crystal Structure of Mtb Pks13 Thioesterase domain in complex with inhibitor X20419 | | Descriptor: | N-benzyl-2-{4-[4-(4,5-dimethoxy-1H-indole-2-carbonyl)piperazine-1-carbonyl]piperidin-1-yl}-6-methylpyrimidine-4-carboxamide, Polyketide synthase Pks13, SULFATE ION | | Authors: | Krieger, I.V, Sacchettini, J.C. | | Deposit date: | 2023-08-07 | | Release date: | 2024-04-24 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Inhibitors of the Thioesterase Activity of Mycobacterium tuberculosis Pks13 Discovered Using DNA-Encoded Chemical Library Screening.
Acs Infect Dis., 10, 2024
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8TR4
 | | Crystal Structure of Mtb Pks13 Thioesterase domain in complex with inhibitor X20404 | | Descriptor: | 4-(2-{(4M)-4-[(6M)-6-(2,5-dimethoxyphenyl)pyridin-3-yl]-1H-1,2,3-triazol-1-yl}ethyl)-N,N-dimethylbenzamide, Polyketide synthase Pks13, SULFATE ION | | Authors: | Krieger, I.V, Sacchettini, J.C. | | Deposit date: | 2023-08-09 | | Release date: | 2024-04-24 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Inhibitors of the Thioesterase Activity of Mycobacterium tuberculosis Pks13 Discovered Using DNA-Encoded Chemical Library Screening.
Acs Infect Dis., 10, 2024
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5ZYA
 | | SF3b spliceosomal complex bound to E7107 | | Descriptor: | PHD finger-like domain-containing protein 5A, POTASSIUM ION, Splicing factor 3B subunit 1, ... | | Authors: | Finci, L.I, Larsen, N.A. | | Deposit date: | 2018-05-23 | | Release date: | 2018-06-20 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (3.95 Å) | | Cite: | The cryo-EM structure of the SF3b spliceosome complex bound to a splicing modulator reveals a pre-mRNA substrate competitive mechanism of action
Genes Dev., 32, 2018
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1HFS
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1SLM
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1SLN
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8BRE
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8CPB
 | | 1,6-anhydro-n-actetylmuramic acid kinase (AnmK) in complex with AMPPNP, and AnhMurNAc at 1.7 Angstroms resolution. | | Descriptor: | 2-(2-ACETYLAMINO-4-HYDROXY-6,8-DIOXA-BICYCLO[3.2.1]OCT-3-YLOXY)-PROPIONIC ACID, Anhydro-N-acetylmuramic acid kinase, GLYCEROL, ... | | Authors: | Jimenez-Faraco, E, Hermoso, J.A. | | Deposit date: | 2023-03-02 | | Release date: | 2023-09-20 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Catalytic process of anhydro-N-acetylmuramic acid kinase from Pseudomonas aeruginosa.
J.Biol.Chem., 299, 2023
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8CP9
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8C0U
 | | 1,6-anhydro-n-actetylmuramic acid kinase (AnmK) in complex with their natural substrates and products | | Descriptor: | (2~{R})-2-[(2~{S},3~{R},4~{R},5~{S},6~{R})-3-acetamido-2,5-bis(oxidanyl)-6-(phosphonooxymethyl)oxan-4-yl]oxypropanoic acid, 2-(2-ACETYLAMINO-4-HYDROXY-6,8-DIOXA-BICYCLO[3.2.1]OCT-3-YLOXY)-PROPIONIC ACID, ADENOSINE-5'-DIPHOSPHATE, ... | | Authors: | Jimenez-Faraco, E, Hermoso, J.A. | | Deposit date: | 2022-12-19 | | Release date: | 2023-09-20 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.112 Å) | | Cite: | Catalytic process of anhydro-N-acetylmuramic acid kinase from Pseudomonas aeruginosa.
J.Biol.Chem., 299, 2023
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8RHI
 | | Lytic Transglycosylase MltD of Pseudomonas aeruginosa in a ternary complex bound to Bulgecin A and chito-tetraose | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-O-(4-O-SULFONYL-N-ACETYLGLUCOSAMININYL)-5-METHYLHYDROXY-L-PROLINE-TAURINE, ... | | Authors: | Miguel-Ruano, V, Hermoso, J.A. | | Deposit date: | 2023-12-15 | | Release date: | 2024-04-17 | | Last modified: | 2024-04-24 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Structural characterization of lytic transglycosylase MltD of Pseudomonas aeruginosa, a target for the natural product bulgecin A.
Int.J.Biol.Macromol., 267, 2024
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8RHE
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8RHF
 | | Lytic Transglycosylase MltD of Pseudomonas aeruginosa bound to the Natural Product Bulgecin A, with two LysM domains | | Descriptor: | 4-O-(4-O-SULFONYL-N-ACETYLGLUCOSAMININYL)-5-METHYLHYDROXY-L-PROLINE-TAURINE, DI(HYDROXYETHYL)ETHER, LysM peptidoglycan-binding domain-containing protein, ... | | Authors: | Miguel-Ruano, V, Hermoso, J.A. | | Deposit date: | 2023-12-15 | | Release date: | 2024-04-17 | | Last modified: | 2024-04-24 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Structural characterization of lytic transglycosylase MltD of Pseudomonas aeruginosa, a target for the natural product bulgecin A.
Int.J.Biol.Macromol., 267, 2024
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6G6Z
 | | Eg5-inhibitor complex | | Descriptor: | (~{N}~{Z})-~{N}-[(5~{S})-4-ethanoyl-5-methyl-5-phenyl-1,3,4-thiadiazolidin-2-ylidene]ethanamide, ADENOSINE-5'-DIPHOSPHATE, Kinesin-like protein KIF11, ... | | Authors: | Talapatra, S.K, Kozielski, F, Tham, C.L. | | Deposit date: | 2018-04-04 | | Release date: | 2018-08-08 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Crystal structure of the Eg5 - K858 complex and implications for structure-based design of thiadiazole-containing inhibitors.
Eur J Med Chem, 156, 2018
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6G6Y
 | | Eg5-inhibitor complex | | Descriptor: | (~{N}~{Z})-~{N}-[(5~{S})-4-ethanoyl-5-methyl-5-phenyl-1,3,4-thiadiazolidin-2-ylidene]ethanamide, ADENOSINE-5'-DIPHOSPHATE, Kinesin-like protein KIF11, ... | | Authors: | Talapatra, S.K, Kozielski, F, Tham, C.L. | | Deposit date: | 2018-04-03 | | Release date: | 2018-08-08 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal structure of the Eg5 - K858 complex and implications for structure-based design of thiadiazole-containing inhibitors.
Eur J Med Chem, 156, 2018
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3QW4
 | | Structure of Leishmania donovani UMP synthase | | Descriptor: | CHLORIDE ION, UMP synthase, URIDINE-5'-MONOPHOSPHATE | | Authors: | French, J.B, Ealick, S.E. | | Deposit date: | 2011-02-26 | | Release date: | 2011-04-20 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | The Leishmania donovani UMP synthase is essential for promastigote viability and has an unusual tetrameric structure that exhibits substrate-controlled oligomerization.
J.Biol.Chem., 286, 2011
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3QW3
 | | Structure of Leishmania donovani OMP decarboxylase | | Descriptor: | Orotidine-5-phosphate decarboxylase/orotate phosphoribosyltransferase, putative (Ompdcase-oprtase, putative), ... | | Authors: | French, J.B, Ealick, S.E. | | Deposit date: | 2011-02-26 | | Release date: | 2011-04-20 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | The Leishmania donovani UMP synthase is essential for promastigote viability and has an unusual tetrameric structure that exhibits substrate-controlled oligomerization.
J.Biol.Chem., 286, 2011
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3NTC
 | | Crystal structure of KD-247 Fab, an anti-V3 antibody that inhibits HIV-1 Entry | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, Fab heavy chain, ... | | Authors: | Sarafianos, S.G, Kirby, K.A. | | Deposit date: | 2010-07-03 | | Release date: | 2010-08-25 | | Last modified: | 2024-11-27 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Structural basis of clade-specific HIV-1 neutralization by humanized anti-V3 monoclonal antibody KD-247.
Faseb J., 29, 2015
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