7P70
 
 | | The PDZ-domain of SNTB1 complexed with the PDZ-binding motif of HPV35-E6 | | Descriptor: | Beta-1-syntrophin,Annexin A2, CALCIUM ION, GLYCEROL, ... | | Authors: | Gogl, G, Cousido-Siah, A, Trave, G. | | Deposit date: | 2021-07-19 | | Release date: | 2022-07-27 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Quantitative fragmentomics allow affinity mapping of interactomes.
Nat Commun, 13, 2022
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5L8Y
 | | Crystal structure of T. brucei PDE-B1 catalytic domain with inhibitor NPD-937 | | Descriptor: | 2-[(4-{5-[(4aR,8aS)-3-cycloheptyl-4-oxo-3,4,4a,5,8,8a-hexahydrophthalazin-1-yl]-2-methoxyphenyl}phenyl)formamido]-N-(2-hydroxyethyl)acetamide, FORMIC ACID, GLYCEROL, ... | | Authors: | Singh, A.K, Anthonyrajah, E.S, Brown, D.G. | | Deposit date: | 2016-06-08 | | Release date: | 2018-03-14 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.14 Å) | | Cite: | Targeting a Subpocket in Trypanosoma brucei Phosphodiesterase B1 (TbrPDEB1) Enables the Structure-Based Discovery of Selective Inhibitors with Trypanocidal Activity.
J. Med. Chem., 61, 2018
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7P71
 | | The PDZ domain of MAGI1_2 complexed with the PDZ-binding motif of HPV35-E6 | | Descriptor: | CALCIUM ION, CITRIC ACID, GLYCEROL, ... | | Authors: | Gogl, G, Cousido-Siah, A, Trave, G. | | Deposit date: | 2021-07-19 | | Release date: | 2022-07-27 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Quantitative fragmentomics allow affinity mapping of interactomes.
Nat Commun, 13, 2022
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1GNV
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2BCB
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7P72
 | | The PDZ domain of SNX27 complexed with the PDZ-binding motif of MERS-E | | Descriptor: | CALCIUM ION, Envelope small membrane protein, GLYCEROL, ... | | Authors: | Gogl, G, Cousido-Siah, A, Trave, G. | | Deposit date: | 2021-07-19 | | Release date: | 2022-07-27 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Quantitative fragmentomics allow affinity mapping of interactomes.
Nat Commun, 13, 2022
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3CA6
 | | Sambucus nigra agglutinin II (SNA-II)- tetragonal crystal form- complexed to Tn antigen | | Descriptor: | 2-acetamido-2-deoxy-alpha-D-galactopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Maveyraud, L, Mourey, L. | | Deposit date: | 2008-02-19 | | Release date: | 2008-11-25 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Structural basis for sugar recognition, including the Tn carcinoma antigen, by the lectin SNA-II from Sambucus nigra
Proteins, 75, 2009
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7JGE
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5I4L
 | | Crystal structure of Amicoumacin A bound to the yeast 80S ribosome | | Descriptor: | 18S ribosomal RNA, 25S ribosomal RNA, 40S ribosomal protein S0-A, ... | | Authors: | Prokhorova, I.V, Yusupova, G, Yusupov, M. | | Deposit date: | 2016-02-12 | | Release date: | 2016-06-22 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Amicoumacin A induces cancer cell death by targeting the eukaryotic ribosome.
Sci Rep, 6, 2016
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7JGH
 | | Cryo-EM structure of P. falciparum VAR2CSA NF54 core in complex with CSA at 3.36 A | | Descriptor: | 2-acetamido-2-deoxy-4-O-sulfo-beta-D-galactopyranose, Erythrocyte membrane protein 1, beta-D-glucopyranuronic acid-(1-3)-2-acetamido-2-deoxy-4-O-sulfo-beta-D-galactopyranose-(1-4)-beta-D-glucopyranuronic acid-(1-3)-2-acetamido-2-deoxy-4-O-sulfo-beta-D-galactopyranose-(1-4)-beta-D-glucopyranuronic acid-(1-3)-2-acetamido-2-deoxy-4-O-sulfo-beta-D-galactopyranose-(1-4)-beta-D-glucopyranuronic acid-(1-3)-2-acetamido-2-deoxy-4-O-sulfo-beta-D-galactopyranose-(1-4)-beta-D-glucopyranuronic acid-(1-3)-2-acetamido-2-deoxy-4-O-sulfo-beta-D-galactopyranose-(1-4)-beta-D-glucopyranuronic acid | | Authors: | Ma, R, Tolia, N.H. | | Deposit date: | 2020-07-19 | | Release date: | 2021-01-13 | | Last modified: | 2021-03-10 | | Method: | ELECTRON MICROSCOPY (3.36 Å) | | Cite: | Structural basis for placental malaria mediated by Plasmodium falciparum VAR2CSA.
Nat Microbiol, 6, 2021
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7JGD
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7TNQ
 | | The symmetry-released subpellicular microtubule map from detergent-extracted Toxoplasma cells | | Descriptor: | Microtubule associated protein SPM1, PDI family protein, Tubulin alpha chain, ... | | Authors: | Sun, S.Y, Pintilie, G.D, Chen, M. | | Deposit date: | 2022-01-21 | | Release date: | 2022-06-22 | | Method: | ELECTRON MICROSCOPY (8.4 Å) | | Cite: | Cryo-ET of Toxoplasma parasites gives subnanometer insight into tubulin-based structures.
Proc.Natl.Acad.Sci.USA, 119, 2022
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3B2Z
 | | Crystal Structure of ADAMTS4 (apo form) | | Descriptor: | ADAMTS-4, CALCIUM ION, ZINC ION | | Authors: | Mosyak, L, Stahl, M, Somers, W. | | Deposit date: | 2007-10-19 | | Release date: | 2007-12-25 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Crystal structures of the two major aggrecan degrading enzymes, ADAMTS4 and ADAMTS5.
Protein Sci., 17, 2008
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5GVK
 | | Plasmodium vivax SHMT bound with PLP-glycine and GS256 | | Descriptor: | 5-[3-[(4~{S})-6-azanyl-5-cyano-3-methyl-4-propan-2-yl-2~{H}-pyrano[2,3-c]pyrazol-4-yl]-5-cyano-phenyl]-~{N},~{N}-dimethyl-thiophene-2-sulfonamide, CHLORIDE ION, N-GLYCINE-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YL-METHANE], ... | | Authors: | Chitnumsub, P, Jaruwat, A, Leartsakulpanich, U, Schwertz, G. | | Deposit date: | 2016-09-06 | | Release date: | 2017-07-12 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.24 Å) | | Cite: | Antimalarial Inhibitors Targeting Serine Hydroxymethyltransferase (SHMT) with in Vivo Efficacy and Analysis of their Binding Mode Based on X-ray Cocrystal Structures
J. Med. Chem., 60, 2017
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7JHJ
 | | Structure of the Epstein-Barr virus GPCR BILF1 in complex with human Gi | | Descriptor: | Antibody fragment scFv16, BILF1, CHOLESTEROL HEMISUCCINATE, ... | | Authors: | Tsutsumi, N, Qu, Q.H, Skiniotis, G, Garcia, K.C. | | Deposit date: | 2020-07-20 | | Release date: | 2021-07-07 | | Last modified: | 2021-07-28 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Structural basis for the constitutive activity and immunomodulatory properties of the Epstein-Barr virus-encoded G protein-coupled receptor BILF1.
Immunity, 54, 2021
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3BBR
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7PG9
 | | human 20S proteasome | | Descriptor: | Proteasome subunit alpha type-1, Proteasome subunit alpha type-2, Proteasome subunit alpha type-3, ... | | Authors: | Xu, C, Cong, Y. | | Deposit date: | 2021-08-13 | | Release date: | 2021-10-20 | | Last modified: | 2024-07-17 | | Method: | ELECTRON MICROSCOPY (3.7 Å) | | Cite: | The 20S as a stand-alone proteasome in cells can degrade the ubiquitin tag.
Nat Commun, 12, 2021
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5J48
 | | PKG I's Carboyl Terminal Cyclic Nucleotide Binding Domain (CNB-B) in a complex with 8-pCPT-cGMP | | Descriptor: | 1,2-ETHANEDIOL, 2-amino-8-[(4-chlorophenyl)sulfanyl]-9-[(2S,4aR,6R,7R,7aS)-2,7-dihydroxy-2-oxotetrahydro-2H,4H-2lambda~5~-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-3,9-dihydro-6H-purin-6-one, CALCIUM ION, ... | | Authors: | Campbell, J.C, Sankaran, B, Kim, C.W. | | Deposit date: | 2016-03-31 | | Release date: | 2017-04-12 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.49 Å) | | Cite: | Structural Basis of Analog Specificity in PKG I and II.
ACS Chem. Biol., 12, 2017
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5J6N
 | | Crystal Structure of Hsp90-alpha N-domain L107A mutant in complex with 5-[4-(2-Fluoro-phenyl)-5-oxo-4,5-dihydro-1H-[1,2,4]triazol-3-yl]-2,4-dihydroxy-N-methyl-N-propyl-benzenesulfonamide | | Descriptor: | 5-[4-(2-fluorophenyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl]-2,4-dihydroxy-N-methyl-N-propylbenzene-1-sulfonamide, Heat shock protein HSP 90-alpha | | Authors: | Amaral, M, Matias, P. | | Deposit date: | 2016-04-05 | | Release date: | 2017-12-06 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Protein conformational flexibility modulates kinetics and thermodynamics of drug binding.
Nat Commun, 8, 2017
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5J82
 | | Crystal Structure of Hsp90-alpha N-domain in complex 5-[4-(2-Fluoro-phenyl)-5-oxo-4,5-dihydro-1H-[1,2,4]triazol-3-yl]-2,4-dihydroxy-N-isopropyl-N-methyl-benzenesulfonamide | | Descriptor: | 5-[4-(2-fluorophenyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl]-2,4-dihydroxy-N-methyl-N-(propan-2-yl)benzene-1-sulfonamide, Heat shock protein HSP 90-alpha | | Authors: | Amaral, M, Matias, P. | | Deposit date: | 2016-04-07 | | Release date: | 2017-12-06 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.17 Å) | | Cite: | Protein conformational flexibility modulates kinetics and thermodynamics of drug binding.
Nat Commun, 8, 2017
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5J85
 | | Ser480Ala mutant of L-arabinonate dehydratase | | Descriptor: | Dihydroxyacid dehydratase/phosphogluconate dehydratase, FE2/S2 (INORGANIC) CLUSTER, MAGNESIUM ION | | Authors: | Rahman, M.M, Rouvinen, J, Hakulinen, N. | | Deposit date: | 2016-04-07 | | Release date: | 2017-06-21 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | The Crystal Structure of a Bacterial l-Arabinonate Dehydratase Contains a [2Fe-2S] Cluster.
ACS Chem. Biol., 12, 2017
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3BVO
 | | Crystal structure of human co-chaperone protein HscB | | Descriptor: | Co-chaperone protein HscB, mitochondrial precursor, SULFATE ION, ... | | Authors: | Bitto, E, Bingman, C.A, McCoy, J.G, Wesenberg, G.E, Phillips Jr, G.N, Center for Eukaryotic Structural Genomics (CESG) | | Deposit date: | 2008-01-07 | | Release date: | 2008-01-15 | | Last modified: | 2017-10-25 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structure of human J-type co-chaperone HscB reveals a tetracysteine metal-binding domain.
J.Biol.Chem., 283, 2008
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2ORQ
 | | Murine Inducible Nitric Oxide Synthase Oxygenase Domain (DELTA 114) 4-(imidazol-1-yl)phenol and piperonylamine Complex | | Descriptor: | 1-(1,3-BENZODIOXOL-5-YL)METHANAMINE, 4-(1H-IMIDAZOL-1-YL)PHENOL, Nitric oxide synthase, ... | | Authors: | Adler, M, Whitlow, M. | | Deposit date: | 2007-02-04 | | Release date: | 2007-04-17 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Design, Synthesis, and Activity of 2-Imidazol-1-ylpyrimidine Derived Inducible Nitric Oxide Synthase Dimerization Inhibitors
J.Med.Chem., 50, 2007
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3C0O
 | | Crystal structure of the proaerolysin mutant Y221G complexed with mannose-6-phosphate | | Descriptor: | 6-O-phosphono-alpha-D-mannopyranose, ACETATE ION, Aerolysin | | Authors: | Pernot, L, Schiltz, M, Thurnheer, S, Burr, S.E, van der Goot, G. | | Deposit date: | 2008-01-21 | | Release date: | 2008-02-12 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Molecular assembly of the aerolysin pore reveals a swirling membrane-insertion mechanism.
Nat.Chem.Biol., 9, 2013
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5J9Y
 | | EGFR-T790M in complex with pyrazolopyrimidine inhibitor 1b | | Descriptor: | (R)-1-(3-(4-amino-3-(naphthalen-1-yl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl)prop-2-en-1-one, Epidermal growth factor receptor | | Authors: | Becker, C, Engel, J, Rauh, D. | | Deposit date: | 2016-04-11 | | Release date: | 2016-08-17 | | Last modified: | 2016-09-07 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Insight into the Inhibition of Drug-Resistant Mutants of the Receptor Tyrosine Kinase EGFR.
Angew.Chem.Int.Ed.Engl., 55, 2016
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