8BTG
 
 | | Cryo-EM structure of the bacterial replication origin opening basal unwinding system | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Chromosomal replication initiator protein DnaA, DNA (41-MER), ... | | Authors: | Pelliciari, S, Bodet-Lefevre, S, Murray, H, Ilangovan, A. | | Deposit date: | 2022-11-28 | | Release date: | 2024-02-14 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | The bacterial replication origin BUS promotes nucleobase capture.
Nat Commun, 14, 2023
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1J57
 | | NuiA | | Descriptor: | NuiA | | Authors: | Kirby, T.W, Mueller, G.A, DeRose, E.F, Lebetkin, M.S, Meiss, G, Pingoud, A, London, R.E. | | Deposit date: | 2002-01-17 | | Release date: | 2002-12-04 | | Last modified: | 2023-12-27 | | Method: | SOLUTION NMR | | Cite: | The Nuclease A Inhibitor represents a new variation of the rare PR-1 fold.
J.Mol.Biol., 320, 2002
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1KTU
 | | NuiA | | Descriptor: | NuiA | | Authors: | Kirby, T.W, Mueller, G.A, DeRose, E.F, Lebetkin, M.S, Meiss, G, Pingoud, A, London, R.E. | | Deposit date: | 2002-01-17 | | Release date: | 2002-12-04 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | The Nuclease A Inhibitor represents a new variation of the rare PR-1 fold.
J.Mol.Biol., 320, 2002
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1GPP
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7AWV
 | | Azoreductase (AzoRo) from Rhodococcus opacus 1CP | | Descriptor: | DI(HYDROXYETHYL)ETHER, FLAVIN MONONUCLEOTIDE, FMN-dependent NADH-azoreductase, ... | | Authors: | Bento, I, Ngo, A, Qi, J, Juric, C, Tischler, D. | | Deposit date: | 2020-11-09 | | Release date: | 2022-02-02 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Identification of molecular basis that underlie enzymatic specificity of AzoRo from Rhodococcus opacus 1CP: A potential NADH:quinone oxidoreductase.
Arch.Biochem.Biophys., 717, 2022
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5YJO
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6AFK
 | | Crystal structure of TrmD from Pseudomonas aeruginosa in complex with active-site inhibitor | | Descriptor: | N-{(3S)-1-[3-(pyridin-4-yl)-1H-pyrazol-5-yl]piperidin-3-yl}-1H-indole-2-carboxamide, S-ADENOSYLMETHIONINE, tRNA (guanine-N(1)-)-methyltransferase | | Authors: | Zhong, W, Koay, A, Wong, Y.W, Sahili, A.E, Nah, Q, Kang, C, Poulsen, A, Chionh, Y.K, McBee, M, Matter, A, Hill, J, Lescar, J, Dedon, P.C. | | Deposit date: | 2018-08-08 | | Release date: | 2019-08-14 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Targeting the Bacterial Epitranscriptome for Antibiotic Development: Discovery of Novel tRNA-(N1G37) Methyltransferase (TrmD) Inhibitors.
Acs Infect Dis., 5, 2019
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6IJL
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8EX3
 | | Plasmodium falciparum M1 in complex with inhibitor 9aa | | Descriptor: | GLYCEROL, M1 family aminopeptidase, MAGNESIUM ION, ... | | Authors: | Calic, P.P.S, McGowan, S, Webb, C.T. | | Deposit date: | 2022-10-24 | | Release date: | 2023-01-18 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structure-based development of potent Plasmodium falciparum M1 and M17 aminopeptidase selective and dual inhibitors via S1'-region optimisation.
Eur.J.Med.Chem., 248, 2022
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8EYE
 | | Plasmodium falciparum M1 in complex with inhibitor 9aj | | Descriptor: | DIMETHYL SULFOXIDE, GLYCEROL, M1 family aminopeptidase, ... | | Authors: | Calic, P.P.S, McGowan, S, Webb, C.T. | | Deposit date: | 2022-10-26 | | Release date: | 2023-01-18 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.83 Å) | | Cite: | Structure-based development of potent Plasmodium falciparum M1 and M17 aminopeptidase selective and dual inhibitors via S1'-region optimisation.
Eur.J.Med.Chem., 248, 2022
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8EYD
 | | Plasmodium falciparum M1 in complex with inhibitor 15ah | | Descriptor: | GLYCEROL, M1 family aminopeptidase, N-[(1R)-1-(4-bromophenyl)-2-(hydroxyamino)-2-oxoethyl]-N~2~-(4-fluorophenyl)glycinamide, ... | | Authors: | Calic, P.P.S, McGowan, S, Webb, C.T. | | Deposit date: | 2022-10-26 | | Release date: | 2023-01-18 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.83 Å) | | Cite: | Structure-based development of potent Plasmodium falciparum M1 and M17 aminopeptidase selective and dual inhibitors via S1'-region optimisation.
Eur.J.Med.Chem., 248, 2022
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8EWZ
 | | Plasmodium falciparum M1 in complex with inhibitor 9c | | Descriptor: | (2R)-2-(cyclopentylcarbamamido)-N-hydroxy-2-(3',4',5'-trifluoro[1,1'-biphenyl]-4-yl)acetamide, DIMETHYL SULFOXIDE, GLYCEROL, ... | | Authors: | Calic, P.P.S, McGowan, S, Webb, C.T. | | Deposit date: | 2022-10-24 | | Release date: | 2023-01-18 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Structure-based development of potent Plasmodium falciparum M1 and M17 aminopeptidase selective and dual inhibitors via S1'-region optimisation.
Eur.J.Med.Chem., 248, 2022
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8EYF
 | | Plasmodium falciparum M1 in complex with inhibitor 15aa | | Descriptor: | DIMETHYL SULFOXIDE, GLYCEROL, M1 family aminopeptidase, ... | | Authors: | Calic, P.P.S, McGowan, S, Webb, C.T. | | Deposit date: | 2022-10-26 | | Release date: | 2023-01-18 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structure-based development of potent Plasmodium falciparum M1 and M17 aminopeptidase selective and dual inhibitors via S1'-region optimisation.
Eur.J.Med.Chem., 248, 2022
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8EZ2
 | | Plasmodium falciparum M1 in complex with inhibitor 15ag | | Descriptor: | DIMETHYL SULFOXIDE, GLYCEROL, M1 family aminopeptidase, ... | | Authors: | Calic, P.P.S, McGowan, S, Webb, C.T. | | Deposit date: | 2022-10-31 | | Release date: | 2023-01-18 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.83 Å) | | Cite: | Structure-based development of potent Plasmodium falciparum M1 and M17 aminopeptidase selective and dual inhibitors via S1'-region optimisation.
Eur.J.Med.Chem., 248, 2022
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8EZ4
 | | Plasmodium falciparum M17 in complex with inhibitor 9aa | | Descriptor: | CARBONATE ION, M17 leucyl aminopeptidase, N-[(1R)-2-(hydroxyamino)-2-oxo-1-(3',4',5'-trifluoro[1,1'-biphenyl]-4-yl)ethyl]-N~2~-phenylglycinamide, ... | | Authors: | Calic, P.P.S, McGowan, S, Webb, C.T. | | Deposit date: | 2022-10-31 | | Release date: | 2023-01-18 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | Structure-based development of potent Plasmodium falciparum M1 and M17 aminopeptidase selective and dual inhibitors via S1'-region optimisation.
Eur.J.Med.Chem., 248, 2022
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7TBC
 | | Crystal structure of Plasmepsin X from Plasmodium falciparum in complex with WM382 | | Descriptor: | (4R)-4-[(2E)-4,4-diethyl-2-imino-6-oxo-1,3-diazinan-1-yl]-N-[(4S)-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-yl]-3,4-dihydro-2H-1-benzopyran-6-carboxamide, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Christensen, J.B, Hodder, A.N, Scally, S.W, Cowman, A.F. | | Deposit date: | 2021-12-21 | | Release date: | 2022-05-04 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.76 Å) | | Cite: | Basis for drug selectivity of plasmepsin IX and X inhibition in Plasmodium falciparum and vivax.
Structure, 30, 2022
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7TBE
 | | Crystal structure of Plasmepsin X from Plasmodium vivax in complex with WM4 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 3-[(R)-[(2E,4S)-2-imino-4-methyl-6-oxo-4-(propan-2-yl)-1,3-diazinan-1-yl](phenyl)methyl]-N-[(1S)-1-phenylethyl]benzamide, Plasmepsin X, ... | | Authors: | Hodder, A.N, Christensen, J.B, Scally, S.W, Cowman, A.F. | | Deposit date: | 2021-12-21 | | Release date: | 2022-05-04 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (3.35 Å) | | Cite: | Basis for drug selectivity of plasmepsin IX and X inhibition in Plasmodium falciparum and vivax.
Structure, 30, 2022
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7TBD
 | | Crystal structure of Plasmepsin X from Plasmodium vivax in complex with WM382 | | Descriptor: | (4R)-4-[(2E)-4,4-diethyl-2-imino-6-oxo-1,3-diazinan-1-yl]-N-[(4S)-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-yl]-3,4-dihydro-2H-1-benzopyran-6-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, ... | | Authors: | Hodder, A.N, Christensen, J.B, Scally, S.W, Cowman, A.F. | | Deposit date: | 2021-12-21 | | Release date: | 2022-05-04 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.22 Å) | | Cite: | Basis for drug selectivity of plasmepsin IX and X inhibition in Plasmodium falciparum and vivax.
Structure, 30, 2022
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7TBB
 | | Crystal structure of Plasmepsin X from Plasmodium falciparum | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, GLYCEROL, ... | | Authors: | Christensen, J.B, Hodder, A.N, Dietrich, M.H, Scally, S.W, Cowman, A.F. | | Deposit date: | 2021-12-21 | | Release date: | 2022-05-04 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Basis for drug selectivity of plasmepsin IX and X inhibition in Plasmodium falciparum and vivax.
Structure, 30, 2022
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3BM3
 | | Restriction endonuclease PspGI-substrate DNA complex | | Descriptor: | CITRIC ACID, DNA (5'-D(*CP*AP*TP*CP*CP*AP*GP*GP*TP*AP*C)-3'), DNA (5'-D(*GP*GP*TP*AP*CP*CP*TP*GP*GP*AP*T)-3'), ... | | Authors: | Szczepanowski, R.H, Carpenter, M, Czapinska, H, Tamulaitis, G, Siksnys, V, Bhagwat, A, Bochtler, M. | | Deposit date: | 2007-12-12 | | Release date: | 2008-09-16 | | Last modified: | 2021-10-20 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | A direct crystallographic demonstration that Type II restriction endonuclease PspGI flips nucleotides
To be Published
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5LER
 | | Structure of the bacterial sex F pilus (13.2 Angstrom rise) | | Descriptor: | Pilin, [(2~{S})-3-[[(2~{R})-2,3-bis(oxidanyl)propoxy]-oxidanyl-phosphoryl]oxy-2-hexadec-9-enoyloxy-propyl] hexadecanoate | | Authors: | Costa, T.R.D, Ilangovan, I, Ukleja, M, Redzej, A, Santini, J.M, Smith, T.K, Egelman, E.H, Waksman, G. | | Deposit date: | 2016-06-30 | | Release date: | 2016-11-02 | | Last modified: | 2024-05-15 | | Method: | ELECTRON MICROSCOPY (5 Å) | | Cite: | Structure of the Bacterial Sex F Pilus Reveals an Assembly of a Stoichiometric Protein-Phospholipid Complex.
Cell, 166, 2016
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5LEG
 | | Structure of the bacterial sex F pilus (pED208) | | Descriptor: | 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, Pilin | | Authors: | Costa, T.R.D, Ilangovan, I, Ukleja, M, Redzej, A, Santini, J.M, Smith, T.K, Egelman, E.H, Waksman, G. | | Deposit date: | 2016-06-29 | | Release date: | 2016-09-28 | | Last modified: | 2024-05-15 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | Structure of the Bacterial Sex F Pilus Reveals an Assembly of a Stoichiometric Protein-Phospholipid Complex.
Cell, 166, 2016
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5LFB
 | | Structure of the bacterial sex F pilus (12.5 Angstrom rise) | | Descriptor: | Pilin, [(2~{S})-3-[[(2~{R})-2,3-bis(oxidanyl)propoxy]-oxidanyl-phosphoryl]oxy-2-hexadec-9-enoyloxy-propyl] hexadecanoate | | Authors: | Costa, T.R.D, Ilangovan, I, Ukleja, M, Redzej, A, Santini, J.M, Smith, T.K, Egelman, E.H, Waksman, G. | | Deposit date: | 2016-06-30 | | Release date: | 2016-11-02 | | Last modified: | 2024-05-15 | | Method: | ELECTRON MICROSCOPY (5 Å) | | Cite: | Structure of the Bacterial Sex F Pilus Reveals an Assembly of a Stoichiometric Protein-Phospholipid Complex.
Cell, 166, 2016
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7ULU
 | | Human DDAH1 soaked with its inhibitor ClPyrAA | | Descriptor: | (2S)-2-amino-4-[(pyridin-2-yl)amino]butanoic acid, N(G),N(G)-dimethylarginine dimethylaminohydrolase 1 | | Authors: | Butrin, A, Zheng, Y, Tuley, A, Liu, D, Fast, W. | | Deposit date: | 2022-04-05 | | Release date: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Optimization of a switchable electrophile fragment into a potent and selective covalent inhibitor of human DDAH1
To Be Published
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7ULX
 | | Human DDAH1 soaked with its inhibitor N4-(4-chloropyridin-2-yl)-L-asparagine | | Descriptor: | N(G),N(G)-dimethylarginine dimethylaminohydrolase 1, N-(pyridin-2-yl)-L-asparagine | | Authors: | Zheng, Y, Butrin, A, Tuley, A, Liu, D, Fast, W. | | Deposit date: | 2022-04-05 | | Release date: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.707 Å) | | Cite: | Optimization of a switchable electrophile fragment into a potent and selective covalent inhibitor of human DDAH1
To Be Published
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