5N0D
 
 | | Crystal structure of human carbonic anhydrase II in complex with (R)-4-(6,7-dihydroxy-1-phenyl-3,4-tetrahydroisoquinoline-1H-2-carbonyl)benzenesulfonamide. | | Descriptor: | (R)-4-(6,7-dihydroxy-1-phenyl-3,4-tetrahydroisoquinoline-1H-2-carbonyl)benzenesulfonamide, Carbonic anhydrase 2, GLYCEROL, ... | | Authors: | Di Fiore, A, De Simone, G. | | Deposit date: | 2017-02-02 | | Release date: | 2017-05-10 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Probing Molecular Interactions between Human Carbonic Anhydrases (hCAs) and a Novel Class of Benzenesulfonamides.
J. Med. Chem., 60, 2017
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5N0H
 | | Crystal structure of NDM-1 in complex with hydrolyzed meropenem - new refinement | | Descriptor: | (2S,3R)-2-[(2S,3R)-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-4-[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfan yl-3-methyl-2,3-dihydro-1H-pyrrole-5-carboxylic acid, GLYCEROL, Metallo-beta-lactamase type 2, ... | | Authors: | Raczynska, J.E, Shabalin, I.G, Jaskolski, M, Minor, W, Wlodawer, A, King, D.T, Strynadka, N.C.J. | | Deposit date: | 2017-02-03 | | Release date: | 2017-04-05 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | A close look onto structural models and primary ligands of metallo-beta-lactamases.
Drug Resist. Updat., 40, 2018
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6KLK
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6PW8
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5LIT
 | | Structure of the DNA duplex d(AAATTT)2 with the potential antiparasitic drug 6XV at 1.25 A resolution | | Descriptor: | 4-((4,5-dihydro-1H-imidazol-2-yl)amino)-N-(4-((4,5-dihydro-1H-imidazol-2-yl)amino)phenyl)benzamide dihydrochloride, DNA (5'-D(*AP*AP*AP*TP*TP*T)-3'), MAGNESIUM ION | | Authors: | Millan, C.R, Dardonville, C, de Koning, H.P, Saperas, N, Lourdes Campos, J. | | Deposit date: | 2016-07-15 | | Release date: | 2017-06-14 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | Functional and structural analysis of AT-specific minor groove binders that disrupt DNA-protein interactions and cause disintegration of the Trypanosoma brucei kinetoplast.
Nucleic Acids Res., 45, 2017
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6JWZ
 | | Crystal structure of Plasmodium falciparum HPPK-DHPS S436F/A437G/A613S triple mutant with SDX-DHP | | Descriptor: | 4-[(2-azanyl-4-oxidanylidene-7,8-dihydro-3~{H}-pteridin-6-yl)methylamino]-~{N}-(5,6-dimethoxypyrimidin-4-yl)benzenesulfonamide, 7,8-dihydro-6-hydroxymethylpterin pyrophosphokinase-dihydropteroate synthase, ACETATE ION, ... | | Authors: | Chitnumsub, P, Jaruwat, A, Yuthavong, Y. | | Deposit date: | 2019-04-21 | | Release date: | 2020-02-12 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.95 Å) | | Cite: | The structure of Plasmodium falciparum hydroxymethyldihydropterin pyrophosphokinase-dihydropteroate synthase reveals the basis of sulfa resistance.
Febs J., 287, 2020
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6KCL
 | | Crystal structure of Plasmodium falciparum HPPK-DHPS A437G/K540E with pterin and p-hydroxybenzoate | | Descriptor: | 7,8-dihydro-6-hydroxymethylpterin pyrophosphokinase-dihydropteroate synthase, ACETATE ION, ADENOSINE-5'-TRIPHOSPHATE, ... | | Authors: | Chitnumsub, P, Jaruwat, A, Yuthavong, Y. | | Deposit date: | 2019-06-28 | | Release date: | 2020-02-12 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | The structure of Plasmodium falciparum hydroxymethyldihydropterin pyrophosphokinase-dihydropteroate synthase reveals the basis of sulfa resistance.
Febs J., 287, 2020
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6KCK
 | | Crystal structure of Plasmodium falciparum HPPK-DHPS wild type with pterin and p-hydroxybenzoate | | Descriptor: | 7,8-dihydro-6-hydroxymethylpterin pyrophosphokinase-dihydropteroate synthase, ACETATE ION, CALCIUM ION, ... | | Authors: | Chitnumsub, P, Jaruwat, A, Yuthavong, Y. | | Deposit date: | 2019-06-28 | | Release date: | 2020-02-12 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | The structure of Plasmodium falciparum hydroxymethyldihydropterin pyrophosphokinase-dihydropteroate synthase reveals the basis of sulfa resistance.
Febs J., 287, 2020
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6JWU
 | | Crystal structure of Plasmodium falciparum HPPK-DHPS wild type with STZ-DHP | | Descriptor: | 2-AMINO-6-HYDROXYMETHYL-7,8-DIHYDRO-3H-PTERIDIN-4-ONE, 4-{[(2-amino-4-oxo-3,4,7,8-tetrahydropteridin-6-yl)methyl]amino}-N-(1,3-thiazol-2-yl)benzenesulfonamide, 7,8-dihydro-6-hydroxymethylpterin pyrophosphokinase-dihydropteroate synthase, ... | | Authors: | Chitnumsub, P, Jaruwat, A, Yuthavong, Y. | | Deposit date: | 2019-04-21 | | Release date: | 2020-02-12 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | The structure of Plasmodium falciparum hydroxymethyldihydropterin pyrophosphokinase-dihydropteroate synthase reveals the basis of sulfa resistance.
Febs J., 287, 2020
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3OXK
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6LJJ
 | | Swine dUTPase in complex with alpha,beta-iminodUTP and magnesium ion | | Descriptor: | 2'-DEOXYURIDINE 5'-ALPHA,BETA-IMIDO-TRIPHOSPHATE, Deoxyuridine 5'-triphosphate nucleotidohydrolase, mitochondrial isoform 1, ... | | Authors: | Liang, R, Peng, G.Q. | | Deposit date: | 2019-12-16 | | Release date: | 2020-11-11 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | Structural comparisons of host and African swine fever virus dUTPases reveal new clues for inhibitor development.
J.Biol.Chem., 296, 2020
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6TQQ
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7M3T
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7M50
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7M2V
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7M57
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6TQP
 | | Structural insight into tanapoxvirus mediated inhibition of apoptosis | | Descriptor: | 16L protein, Bcl-2-binding component 3, isoforms 1/2, ... | | Authors: | Suraweera, C.D, Hinds, M.G, Kvansakul, M. | | Deposit date: | 2019-12-17 | | Release date: | 2020-06-03 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.84940946 Å) | | Cite: | Structural insight into tanapoxvirus-mediated inhibition of apoptosis.
Febs J., 287, 2020
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7PTZ
 | | High resolution X-ray structure of E. coli expressed Lentinus similis LPMO. | | Descriptor: | Auxiliary activity 9, CHLORIDE ION, COPPER (II) ION | | Authors: | Banerjee, S, Muderspach, S.J, Tandrup, T, Ipsen, J.O, Hernandez-Rollan, C, Norholm, H.H.M, Johansen, K.S, Lo Leggio, L. | | Deposit date: | 2021-09-27 | | Release date: | 2022-03-16 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (1.093 Å) | | Cite: | Protonation State of an Important Histidine from High Resolution Structures of Lytic Polysaccharide Monooxygenases.
Biomolecules, 12, 2022
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2W3M
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6TRR
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6KFZ
 | | SufS from Bacillus subtilis, soaked with L-cysteine for 90 sec at 1.96 angstrom resolution | | Descriptor: | Cysteine desulfurase SufS, DI(HYDROXYETHYL)ETHER, N-({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYL)-L-CYSTEINE | | Authors: | Nakamura, R, Takahashi, Y, Fujishiro, T. | | Deposit date: | 2019-07-09 | | Release date: | 2019-10-16 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.96 Å) | | Cite: | Snapshots of PLP-substrate and PLP-product external aldimines as intermediates in two types of cysteine desulfurase enzymes.
Febs J., 287, 2020
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6T76
 | | PII-like protein CutA from Nostoc sp. PCC 7120 in apo form | | Descriptor: | Periplasmic divalent cation tolerance protein, SULFATE ION | | Authors: | Selim, K.A, Albrecht, R, Forchhammer, K, Hartmann, M.D. | | Deposit date: | 2019-10-21 | | Release date: | 2020-07-22 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Functional and structural characterization of PII-like protein CutA does not support involvement in heavy metal tolerance and hints at a small-molecule carrying/signaling role.
Febs J., 288, 2021
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6T7E
 | | PII-like protein CutA from Nostoc sp. PCC7120 in complex with MES | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Periplasmic divalent cation tolerance protein | | Authors: | Selim, K.A, Albrecht, R, Forchhammer, K, Hartmann, M.D. | | Deposit date: | 2019-10-21 | | Release date: | 2020-07-22 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Functional and structural characterization of PII-like protein CutA does not support involvement in heavy metal tolerance and hints at a small-molecule carrying/signaling role.
Febs J., 288, 2021
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6UE0
 | | Crystal structure of dihydrodipicolinate synthase from Klebsiella pneumoniae bound to pyruvate | | Descriptor: | 4-hydroxy-tetrahydrodipicolinate synthase, CHLORIDE ION, SULFATE ION | | Authors: | Impey, R.E, Lee, M, Hawkins, D.A, Sutton, J.M, Panjikar, S, Perugini, M.A, Soares da Costa, T.P. | | Deposit date: | 2019-09-20 | | Release date: | 2020-02-05 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.892 Å) | | Cite: | Mis-annotations of a promising antibiotic target in high-priority gram-negative pathogens.
Febs Lett., 594, 2020
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6KUC
 | | Crystal structure of Plasmodium falciparum histo-aspartic protease (HAP) zymogen (Form 2) | | Descriptor: | DI(HYDROXYETHYL)ETHER, GLYCEROL, HAP protein | | Authors: | Rathore, I, Mishra, V, Bhaumik, P. | | Deposit date: | 2019-08-31 | | Release date: | 2020-05-27 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Activation mechanism of plasmepsins, pepsin-like aspartic proteases from Plasmodium, follows a unique trans-activation pathway.
Febs J., 288, 2021
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