6IZ2
 
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5TY7
 | | Crystal structure of wild-type S. aureus penicillin binding protein 4 (PBP4) in complex with nafcillin | | Descriptor: | (2R,4S)-2-[(1R)-1-{[(2-ethoxynaphthalen-1-yl)carbonyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid, Penicillin-binding protein 4, SODIUM ION, ... | | Authors: | Alexander, J.A.N, Strynadka, N.C.J. | | Deposit date: | 2016-11-18 | | Release date: | 2018-06-13 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.894 Å) | | Cite: | Structural and kinetic analysis of penicillin-binding protein 4 (PBP4)-mediated antibiotic resistance inStaphylococcus aureus.
J. Biol. Chem., 2018
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6K0R
 | | Ruvbl1-Ruvbl2 with truncated domain II in complex with phosphorylated Cordycepin | | Descriptor: | 3'-DEOXYADENOSINE-5'-TRIPHOSPHATE, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Zhang, W, Chen, L, Li, W, Ju, D, Huang, N, Zhang, E. | | Deposit date: | 2019-05-07 | | Release date: | 2020-05-06 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.502 Å) | | Cite: | Chemical perturbations reveal that RUVBL2 regulates the circadian phase in mammals.
Sci Transl Med, 12, 2020
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5UY9
 | | Prolyl isomerase Pin1 R14A mutant bound with Brd4 peptide | | Descriptor: | 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, Brd4 peptide, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1, ... | | Authors: | Dong, S.-H, Nair, S. | | Deposit date: | 2017-02-23 | | Release date: | 2017-04-26 | | Last modified: | 2018-01-24 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Prolyl isomerase PIN1 regulates the stability, transcriptional activity and oncogenic potential of BRD4.
Oncogene, 36, 2017
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2WSA
 | | Crystal Structure of Leishmania major N-myristoyltransferase (NMT) with bound myristoyl-CoA and a pyrazole sulphonamide ligand (DDD85646) | | Descriptor: | 2,6-dichloro-4-(2-piperazin-1-ylpyridin-4-yl)-N-(1,3,5-trimethyl-1H-pyrazol-4-yl)benzenesulfonamide, GLYCYLPEPTIDE N-TETRADECANOYLTRANSFERASE, TETRADECANOYL-COA | | Authors: | Robinson, D.A, Brand, S, Fairlamb, A.H, Ferguson, M.A.J, Frearson, J.A, Wyatt, P.G, Structural Genomics Consortium (SGC) | | Deposit date: | 2009-09-04 | | Release date: | 2010-03-23 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | N-Myristoyltransferase Inhibitors as New Leads to Treat Sleeping Sickness.
Nature, 464, 2010
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5T2P
 | | Hepatitis B virus core protein Y132A mutant in complex with sulfamoylbenzamide (SBA_R01) | | Descriptor: | 4-fluoranyl-3-(4-oxidanylpiperidin-1-yl)sulfonyl-~{N}-[3,4,5-tris(fluoranyl)phenyl]benzamide, CHLORIDE ION, Core protein, ... | | Authors: | Zhou, Z, Xu, Z.H. | | Deposit date: | 2016-08-24 | | Release date: | 2017-02-22 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.693 Å) | | Cite: | Heteroaryldihydropyrimidine (HAP) and Sulfamoylbenzamide (SBA) Inhibit Hepatitis B Virus Replication by Different Molecular Mechanisms.
Sci Rep, 7, 2017
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5TX9
 | | Crystal structure of S. aureus penicillin binding protein 4 (PBP4) mutant (E183A, F241R) in complex with ceftobiprole | | Descriptor: | (2R)-2-[(1R)-1-{[(2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(hydroxyimino)acetyl]amino}-2-oxoethyl]-5-({2-oxo-1-[(3R)-pyr rolidin-3-yl]-2,5-dihydro-1H-pyrrol-3-yl}methyl)-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid, Penicillin-binding protein 4, SODIUM ION, ... | | Authors: | Alexander, J.A.N, Strynadka, N.C.J. | | Deposit date: | 2016-11-16 | | Release date: | 2018-05-16 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.68 Å) | | Cite: | Structural and kinetic analysis of penicillin-binding protein 4 (PBP4)-mediated antibiotic resistance inStaphylococcus aureus.
J. Biol. Chem., 2018
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5US9
 | | Human bocavirus 4 | | Descriptor: | Capsid protein VP2 | | Authors: | Mietzsch, M, Agbandje-McKenna, M. | | Deposit date: | 2017-02-13 | | Release date: | 2017-03-29 | | Last modified: | 2024-03-13 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Structural Insights into Human Bocaparvoviruses.
J. Virol., 91, 2017
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5UMD
 | | Structure of the Plasmodium falciparum 80S ribosome bound to the antimalarial drug mefloquine | | Descriptor: | 28S ribosomal RNA, 5.8S ribosomal RNA, 5S ribosomal RNA, ... | | Authors: | Wong, W, Bai, X.-C, Brown, A, Scheres, S, Baum, J. | | Deposit date: | 2017-01-27 | | Release date: | 2017-03-01 | | Last modified: | 2024-05-15 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Mefloquine targets the Plasmodium falciparum 80S ribosome to inhibit protein synthesis.
Nat Microbiol, 2, 2017
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5V6J
 | | Glycan binding protein Y3 from mushroom Coprinus comatus possesses anti-leukemic activity | | Descriptor: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, TMV resistance protein Y3 | | Authors: | Li, K, Zhang, P, Gang, Y, Xia, C, Polston, J.E, Li, G, Li, S, Lin, Z, Yang, L.-J, Bruner, S.D, Ding, Y. | | Deposit date: | 2017-03-16 | | Release date: | 2017-08-16 | | Last modified: | 2017-09-06 | | Method: | X-RAY DIFFRACTION (1.18 Å) | | Cite: | Cytotoxic protein from the mushroom Coprinus comatus possesses a unique mode for glycan binding and specificity.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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5US7
 | | Human bocavirus 3 | | Descriptor: | VP2 | | Authors: | Mietzsch, M, Agbandje-McKenna, M. | | Deposit date: | 2017-02-13 | | Release date: | 2017-03-29 | | Last modified: | 2024-03-13 | | Method: | ELECTRON MICROSCOPY (2.8 Å) | | Cite: | Structural Insights into Human Bocaparvoviruses.
J. Virol., 91, 2017
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5V6I
 | | Glycan binding protein Y3 from mushroom Coprinus comatus possesses anti-leukemic activity - Pt derivative | | Descriptor: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, CHLORIDE ION, PLATINUM (II) ION, ... | | Authors: | Li, K, Zhang, P, Gang, Y, Xia, C, Polston, J.E, Li, G, Li, S, Lin, Z, Yang, L.-J, Bruner, S.D, Ding, Y. | | Deposit date: | 2017-03-16 | | Release date: | 2017-08-16 | | Last modified: | 2020-01-01 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Cytotoxic protein from the mushroom Coprinus comatus possesses a unique mode for glycan binding and specificity.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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5TKM
 | | Crystal structure of human APOBEC3B N-terminal Domain | | Descriptor: | DNA dC->dU-editing enzyme APOBEC-3B, ZINC ION | | Authors: | Xiao, X, Yang, H, Arutiunian, V, Besse, G, Morimoto, C, Zirkle, B, Chen, X.S. | | Deposit date: | 2016-10-07 | | Release date: | 2017-06-14 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural determinants of APOBEC3B non-catalytic domain for molecular assembly and catalytic regulation.
Nucleic Acids Res., 45, 2017
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6LD0
 | | Structure of Bifidobacterium dentium beta-glucuronidase complexed with C6-hexyl uronic isofagomine | | Descriptor: | (2~{S},3~{S},4~{R},5~{R})-2-hexyl-4,5-bis(oxidanyl)piperidine-3-carboxylic acid, LacZ1 Beta-galactosidase | | Authors: | Lin, H.-Y, Hsieh, T.-J, Lin, C.-H. | | Deposit date: | 2019-11-20 | | Release date: | 2021-01-27 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.901 Å) | | Cite: | Entropy-driven binding of gut bacterial beta-glucuronidase inhibitors ameliorates irinotecan-induced toxicity.
Commun Biol, 4, 2021
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3H5Z
 | | Crystal Structure of Leishmania major N-myristoyltransferase with bound myristoyl-CoA | | Descriptor: | 1,2-ETHANEDIOL, Glycylpeptide N-tetradecanoyltransferase, TETRADECANOYL-COA, ... | | Authors: | Qiu, W, Hutchinson, A, Lin, Y.-H, Wernimont, A, Mackenzie, F, Ravichandran, M, Cossar, D, Zhao, Y, Schapira, M, Arrowsmith, C.H, Bountra, C, Weigelt, J, Edwards, A.M, Ferguson, M.A.J, Fairlamb, A.H, Hui, R, Structural Genomics Consortium (SGC) | | Deposit date: | 2009-04-22 | | Release date: | 2009-05-12 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.49 Å) | | Cite: | N-myristoyltransferase inhibitors as new leads to treat sleeping sickness.
Nature, 464, 2010
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5VT2
 | | Crystal structure of growth differentiation factor | | Descriptor: | 1,2-ETHANEDIOL, Growth/differentiation factor 15 | | Authors: | Min, X, Wang, Z. | | Deposit date: | 2017-05-15 | | Release date: | 2017-11-01 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Long-acting MIC-1/GDF15 molecules to treat obesity: Evidence from mice to monkeys.
Sci Transl Med, 9, 2017
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5W3I
 | | Crystal structure of the influenza virus PA endonuclease in complex with inhibitor 6e (SRI-29685) | | Descriptor: | 5-hydroxy-N-(2-methoxyethyl)-6-oxo-2-[(2S)-1-(phenoxyacetyl)pyrrolidin-2-yl]-1,6-dihydropyrimidine-4-carboxamide, GLYCEROL, MANGANESE (II) ION, ... | | Authors: | Kumar, G, White, S.W. | | Deposit date: | 2017-06-07 | | Release date: | 2017-12-27 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Protein-Structure Assisted Optimization of 4,5-Dihydroxypyrimidine-6-Carboxamide Inhibitors of Influenza Virus Endonuclease.
Sci Rep, 7, 2017
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6LD6
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6LDB
 | | Structure of Bifidobacterium dentium beta-glucuronidase complexed with uronic isofagomine | | Descriptor: | (3S,4R,5R)-4,5-dihydroxypiperidine-3-carboxylic acid, LacZ1 Beta-galactosidase | | Authors: | Lin, H.-Y, Hsieh, T.-J, Lin, C.-H. | | Deposit date: | 2019-11-20 | | Release date: | 2021-01-27 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.651 Å) | | Cite: | Entropy-driven binding of gut bacterial beta-glucuronidase inhibitors ameliorates irinotecan-induced toxicity.
Commun Biol, 4, 2021
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6LEM
 | | Structure of E. coli beta-glucuronidase complex with C6-nonyl uronic isofagomine | | Descriptor: | (2~{S},3~{S},4~{R},5~{R})-2-nonyl-4,5-bis(oxidanyl)piperidine-3-carboxylic acid, Beta-D-glucuronidase | | Authors: | Lin, H.-Y, Kuo, Y.-H, Lin, C.-H. | | Deposit date: | 2019-11-25 | | Release date: | 2021-01-27 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (3.188 Å) | | Cite: | Entropy-driven binding of gut bacterial beta-glucuronidase inhibitors ameliorates irinotecan-induced toxicity.
Commun Biol, 4, 2021
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3D9W
 | | Crystal Structure Analysis of Nocardia farcinica Arylamine N-acetyltransferase | | Descriptor: | Putative acetyltransferase | | Authors: | Li de la Sierra-Gallay, I, Pluvinage, B, Rodrigues-Lima, F, Martins, M, Dupret, J.M. | | Deposit date: | 2008-05-28 | | Release date: | 2008-09-02 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Functional and structural characterization of the arylamine N-acetyltransferase from the opportunistic pathogen Nocardia farcinica
J.Mol.Biol., 383, 2008
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6LEG
 | | Structure of E. coli beta-glucuronidase complex with uronic isofagomine | | Descriptor: | (3S,4R,5R)-4,5-dihydroxypiperidine-3-carboxylic acid, Beta-D-glucuronidase | | Authors: | Lin, H.-Y, Kuo, Y.-H, Lin, C.-H. | | Deposit date: | 2019-11-25 | | Release date: | 2021-01-27 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.603 Å) | | Cite: | Entropy-driven binding of gut bacterial beta-glucuronidase inhibitors ameliorates irinotecan-induced toxicity.
Commun Biol, 4, 2021
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3HBB
 | | Structures of dihydrofolate reductase-thymidylate synthase of Trypanosoma cruzi in the folate-free state and in complex with two antifolate drugs, trimetrexate and methotrexate | | Descriptor: | 1,2-ETHANEDIOL, Dihydrofolate reductase-thymidylate synthase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | Authors: | Schormann, N, Senkovich, O, Chattopadhyay, D. | | Deposit date: | 2009-05-04 | | Release date: | 2009-05-19 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structures of dihydrofolate reductase-thymidylate synthase of Trypanosoma cruzi in the folate-free state and in complex with two antifolate drugs, trimetrexate and methotrexate.
Acta Crystallogr.,Sect.D, 65, 2009
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1NAV
 | | Thyroid Receptor Alpha in complex with an agonist selective for Thyroid Receptor Beta1 | | Descriptor: | SULFATE ION, hormone receptor alpha 1, THRA1, ... | | Authors: | Ye, L, Li, Y.L, Mellstrom, K, Mellin, C, Bladh, L.G, Koehler, K, Garg, N, Garcia Collazo, A.M, Litten, C, Husman, B, Persson, K, Ljunggren, J, Grover, G, Sleph, P.G, George, R, Malm, J. | | Deposit date: | 2002-11-29 | | Release date: | 2003-06-17 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Thyroid receptor ligands. 1. Agonist ligands selective for the thyroid receptor beta1.
J.Med.Chem., 46, 2003
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1P8G
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