7BAF
| Crystal structure of PAFB in complex with zinc | Descriptor: | ACETATE ION, Antifungal protein, ZINC ION | Authors: | Guagnini, F, Huber, A, Alex, J.M, Marx, F, Crowley, P.B. | Deposit date: | 2020-12-15 | Release date: | 2021-03-17 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.123 Å) | Cite: | Porous assembly of an antifungal protein mediated by zinc and sulfonato-calix[8]arene. J.Struct.Biol., 213, 2021
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6Q2Q
| Crystal structure of mouse viperin bound to uridine triphosphate and S-adenosylhomocysteine | Descriptor: | 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, IRON/SULFUR CLUSTER, ... | Authors: | Fenwick, M.K, Dong, M, Lin, H, Ealick, S.E. | Deposit date: | 2019-08-08 | Release date: | 2020-01-22 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.892 Å) | Cite: | Structural Basis of the Substrate Selectivity of Viperin. Biochemistry, 59, 2020
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7ZID
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6YKG
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7T5A
| Crystal structure of the molybdate-binding periplasmic protein ModA from the bacteria Pseudomonsa aeruginosa in tungstate-bound form | Descriptor: | AMMONIUM ION, Molybdate-binding periplasmic protein ModA, TUNGSTATE(VI)ION | Authors: | Ngu, D.H.Y, Luo, Z, Lim, B.Y.J, Kobe, B. | Deposit date: | 2021-12-11 | Release date: | 2022-05-04 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.16 Å) | Cite: | The Impact of Chromate on Pseudomonas aeruginosa Molybdenum Homeostasis. Front Microbiol, 13, 2022
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6YK0
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6YL2
| Structural and DNA binding studies of the transcriptional repressor Rv2506 (BkaR) from Mycobacterium tuberculosis supports a role in L-Leucine catabolism | Descriptor: | DNA (5'-D(*AP*CP*GP*TP*TP*AP*AP*TP*GP*AP*CP*GP*AP*TP*TP*AP*AP*CP*CP*G)-3'), DNA (5'-D(*CP*GP*GP*TP*TP*AP*AP*TP*CP*GP*TP*CP*AP*TP*TP*AP*AP*CP*GP*T)-3'), Probable transcriptional regulatory protein (Probably TetR-family) | Authors: | Keep, N.H, Pritchard, J.E, Sula, A, Cole, A.R, Kendall, S.L. | Deposit date: | 2020-04-06 | Release date: | 2021-04-14 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (3.15 Å) | Cite: | Structural and DNA binding studies of the transcriptional repressor Rv2506 (BkaR) from Mycobacterium tuberculosis supports a role in L-Leucine catabolism To be published
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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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7BAE
| Crystal structure of PAFB | Descriptor: | Antifungal protein | Authors: | Guagnini, F, Huber, A, Alex, J.M, Marx, F, Crowley, P.B. | Deposit date: | 2020-12-15 | Release date: | 2021-03-17 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Porous assembly of an antifungal protein mediated by zinc and sulfonato-calix[8]arene. J.Struct.Biol., 213, 2021
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6K97
| Crystal structure of fusion DH domain | Descriptor: | Fusion DH, SULFATE ION | Authors: | Kawasaki, D, Miyanaga, A, Chisuga, T, Kudo, F, Eguchi, T. | Deposit date: | 2019-06-14 | Release date: | 2019-11-27 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Functional and Structural Analyses of the Split-Dehydratase Domain in the Biosynthesis of Macrolactam Polyketide Cremimycin. Biochemistry, 58, 2019
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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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6C62
| An unexpected vestigial protein complex reveals the evolutionary origins of an s-triazine catabolic enzyme. | Descriptor: | AtzG, Biuret hydrolase, MAGNESIUM ION | Authors: | Peat, T.S, Esquirol, L, Wilding, M, Liu, J.W, French, N.G, Hartley, C.J, Hideki, O, Easton, C.J, Newman, J, Scott, C. | Deposit date: | 2018-01-17 | Release date: | 2018-03-21 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | An unexpected vestigial protein complex reveals the evolutionary origins of ans-triazine catabolic enzyme. J. Biol. Chem., 293, 2018
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7C20
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7T4Z
| Crystal structure of the molybdate-binding periplasmic protein ModA from the bacteria Pseudomonsa aeruginosa in ligand-free form | Descriptor: | AMMONIUM ION, GLYCEROL, Molybdate-binding periplasmic protein, ... | Authors: | Ngu, D.H.Y, Luo, Z, Lim, B.Y.J, Kobe, B. | Deposit date: | 2021-12-10 | Release date: | 2022-05-04 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | The Impact of Chromate on Pseudomonas aeruginosa Molybdenum Homeostasis. Front Microbiol, 13, 2022
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6FOK
| Copper transporter OprC | Descriptor: | (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, COPPER (II) ION, Putative copper transport outer membrane porin OprC | Authors: | Bhamidimarri, S.P, van den Berg, B. | Deposit date: | 2018-02-07 | Release date: | 2019-03-13 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | Acquisition of ionic copper by the bacterial outer membrane protein OprC through a novel binding site. Plos Biol., 19, 2021
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6Q3Y
| Crystal structure of the first bromodomain of human BRD4 in complex with the inhibitor 16i | Descriptor: | (7~{R})-2-[[2-ethoxy-4-(1-methylpiperidin-4-yl)phenyl]amino]-7-ethyl-5-methyl-8-(phenylmethyl)-7~{H}-pteridin-6-one, 1,2-ETHANEDIOL, Bromodomain-containing protein 4 | Authors: | Heidenreich, D, Watts, E, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Knapp, S, Hoelder, S, Structural Genomics Consortium (SGC) | Deposit date: | 2018-12-04 | Release date: | 2019-03-06 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Designing Dual Inhibitors of Anaplastic Lymphoma Kinase (ALK) and Bromodomain-4 (BRD4) by Tuning Kinase Selectivity. J.Med.Chem., 62, 2019
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6C6G
| An unexpected vestigial protein complex reveals the evolutionary origins of an s-triazine catabolic enzyme. Inhibitor bound complex. | Descriptor: | AtzG, Biuret hydrolase, CALCIUM ION | Authors: | Peat, T.S, Esquirol, L, Wilding, M, Liu, J.W, French, N.G, Hartley, C.J, Hideki, O, Easton, C.J, Newman, J, Scott, C. | Deposit date: | 2018-01-18 | Release date: | 2018-03-21 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | An unexpected vestigial protein complex reveals the evolutionary origins of ans-triazine catabolic enzyme. J. Biol. Chem., 293, 2018
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6YJZ
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6Q42
| Crystal Structure of Human Pancreatic Phospholipase A2 | Descriptor: | CHLORIDE ION, Phospholipase A2 | Authors: | Saul, F, Haouz, A, Lambeau, G, Theze, J. | Deposit date: | 2018-12-05 | Release date: | 2020-04-15 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | PLA2G1B is involved in CD4 anergy and CD4 lymphopenia in HIV-infected patients. J.Clin.Invest., 130, 2020
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6KAE
| Crosslinked alpha(Fe-CO)-beta(Ni) human hemoglobin A in the T quaternary structure at 95 K: Light | Descriptor: | BUT-2-ENEDIAL, CARBON MONOXIDE, Hemoglobin subunit alpha, ... | Authors: | Shibayama, N, Park, S.Y, Ohki, M, Sato-Tomita, A. | Deposit date: | 2019-06-21 | Release date: | 2020-02-19 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Direct observation of ligand migration within human hemoglobin at work. Proc.Natl.Acad.Sci.USA, 117, 2020
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6YLZ
| X-ray structure of the K72I,Y129F,R133L, H199A quadruple mutant of PNP-oxidase from E. coli | Descriptor: | FLAVIN MONONUCLEOTIDE, PHOSPHATE ION, Pyridoxine/pyridoxamine 5'-phosphate oxidase, ... | Authors: | Battista, T, Sularea, M, Barile, A, Fiorillo, A, Tramonti, A, Ilari, A. | Deposit date: | 2020-04-07 | Release date: | 2021-04-14 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.558 Å) | Cite: | Identification and characterization of the pyridoxal 5'-phosphate allosteric site in Escherichia coli pyridoxine 5'-phosphate oxidase. J.Biol.Chem., 296, 2021
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8TSB
| Human PI3K p85alpha/p110alpha bound to compound 2 | Descriptor: | 5-(3-bromo-5-fluorobenzamido)-N-methyl-6-(2-methylanilino)pyridine-3-carboxamide, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | Authors: | Holliday, M, Tang, Y, Bulku, A, Wilbur, J, Fraser, J. | Deposit date: | 2023-08-11 | Release date: | 2023-11-22 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (3.53 Å) | Cite: | Discovery and Clinical Proof-of-Concept of RLY-2608, a First-in-Class Mutant-Selective Allosteric PI3K alpha Inhibitor That Decouples Antitumor Activity from Hyperinsulinemia. Cancer Discov, 14, 2024
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6Q48
| CDK2 in complex with FragLite7 | Descriptor: | 4-iodanyl-3~{H}-pyridin-2-one, Cyclin-dependent kinase 2, DIMETHYL SULFOXIDE | Authors: | Wood, D.J, Martin, M.P, Noble, M.E.M. | Deposit date: | 2018-12-05 | Release date: | 2019-03-20 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.03 Å) | Cite: | FragLites-Minimal, Halogenated Fragments Displaying Pharmacophore Doublets. An Efficient Approach to Druggability Assessment and Hit Generation. J.Med.Chem., 62, 2019
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6KAO
| Carbonmonoxy human hemoglobin C in the R quaternary structure at 95 K: Dark | Descriptor: | CARBON MONOXIDE, Hemoglobin subunit alpha, Hemoglobin subunit beta, ... | Authors: | Shibayama, N, Park, S.Y, Ohki, M, Sato-Tomita, A. | Deposit date: | 2019-06-23 | Release date: | 2020-02-19 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Direct observation of ligand migration within human hemoglobin at work. Proc.Natl.Acad.Sci.USA, 117, 2020
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6C6Z
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