5OBG
 
 | | Crystal structure of glycine binding protein in complex with strychnine | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, ... | | Authors: | Dawson, A, Hunter, W.N, Jones, M. | | Deposit date: | 2017-06-26 | | Release date: | 2018-08-01 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Engineering a surrogate human heteromeric alpha / beta glycine receptor orthosteric site exploiting the structural homology and stability of acetylcholine-binding protein.
Iucrj, 6, 2019
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5NT2
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7C0D
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6TVQ
 | | Structure of native gp41 derived peptide fusion inhibitor | | Descriptor: | Env polyprotein (Fragment), Envelope glycoprotein gp160 | | Authors: | Huhmann, S, Nyakatura, E.K, Rohrhofer, A, Schmidt, B, Eichler, J, Moschner, J, Roth, C. | | Deposit date: | 2020-01-10 | | Release date: | 2021-01-27 | | Last modified: | 2023-07-19 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Systematic Evaluation of Fluorination as Modification for Peptide-Based Fusion Inhibitors against HIV-1 Infection.
Chembiochem, 22, 2021
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6TVU
 | | Structure of native gp41 derived peptide fusion inhibitor | | Descriptor: | Env polyprotein (Fragment), Transmembrane protein gp41 | | Authors: | Huhmann, S, Nyakatura, E.K, Rohrhofer, A, Schmidt, B, Eichler, J, Moschner, J, Roth, C, Koksch, B. | | Deposit date: | 2020-01-10 | | Release date: | 2021-01-27 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | Systematic Evaluation of Fluorination as Modification for Peptide-Based Fusion Inhibitors against HIV-1 Infection.
Chembiochem, 22, 2021
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5OCH
 | | The crystal structure of human ABCB8 in an outward-facing state | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ATP-binding cassette sub-family B member 8, mitochondrial, ... | | Authors: | Faust, B, Pike, A.C.W, Shintre, C.A, Quiqley, A.M, Chu, A, Barr, A, Shrestha, L, Mukhopadhyay, S, Borkowska, O, Chalk, R, Burgess-Brown, N.A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Carpenter, E.P, Structural Genomics Consortium (SGC) | | Deposit date: | 2017-06-30 | | Release date: | 2018-07-25 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (3.4 Å) | | Cite: | The crystal structure of human ABCB8 in an outward-facing state
To Be Published
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5OE5
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6TVW
 | | Structure of native gp41 derived peptide fusion inhibitor | | Descriptor: | Envelope glycoprotein, Transmembrane protein gp41,Envelope glycoprotein gp160 | | Authors: | Huhmann, S, Nyakatura, E.K, Rohrhofer, A, Schmidt, B, Eichler, J, Moschner, J, Roth, C, Koksch, B. | | Deposit date: | 2020-01-10 | | Release date: | 2021-01-27 | | Last modified: | 2024-07-10 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Systematic Evaluation of Fluorination as Modification for Peptide-Based Fusion Inhibitors against HIV-1 Infection.
Chembiochem, 22, 2021
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6UEW
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5OEA
 | | Structure of large terminase from the thermophilic bacteriophage D6E in complex with ATP-gamma-S (Crystal form 3) | | Descriptor: | Large subunit terminase, MAGNESIUM ION, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER | | Authors: | Xu, R.G, Jenkins, H.T, Greive, S.J, Antson, A.A. | | Deposit date: | 2017-07-07 | | Release date: | 2017-10-11 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structure of the large terminase from a hyperthermophilic virus reveals a unique mechanism for oligomerization and ATP hydrolysis.
Nucleic Acids Res., 45, 2017
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7BPS
 | | Crystal structure of mouse TEX101 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, SULFATE ION, Testis-expressed protein 101, ... | | Authors: | Masutani, M, Sakurai, S, Shimizu, T, Ohto, U. | | Deposit date: | 2020-03-23 | | Release date: | 2020-07-15 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Crystal structure of TEX101, a glycoprotein essential for male fertility, reveals the presence of tandemly arranged Ly6/uPAR domains.
Febs Lett., 594, 2020
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5NV4
 | | UDP-Glucose Glycoprotein Glucosyltransferase from Chaetomium thermophilum double mutant D611C:G1050C | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, FORMIC ACID, UDP-glucose-glycoprotein glucosyltransferase-like protein, ... | | Authors: | Roversi, P, Caputo, A.T, Hill, J, Alonzi, D.S, Zitzmann, N. | | Deposit date: | 2017-05-03 | | Release date: | 2017-07-26 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.78 Å) | | Cite: | Interdomain conformational flexibility underpins the activity of UGGT, the eukaryotic glycoprotein secretion checkpoint.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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7BQ4
 | | X-ray structure of human PPARalpha ligand binding domain-eicosapentaenoic acid (EPA)-SRC1 coactivator peptide co-crystals obtained by delipidation and co-crystallization | | Descriptor: | 15-meric peptide from Nuclear receptor coactivator 1, 5,8,11,14,17-EICOSAPENTAENOIC ACID, GLYCEROL, ... | | Authors: | Kamata, S, Ishikawa, R, Akahane, M, Oyama, T, Ishii, I. | | Deposit date: | 2020-03-23 | | Release date: | 2020-11-11 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.62 Å) | | Cite: | PPAR alpha Ligand-Binding Domain Structures with Endogenous Fatty Acids and Fibrates.
Iscience, 23, 2020
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6TW9
 | | HumRadA22F in complex with CAM833 | | Descriptor: | CALCIUM ION, DNA repair and recombination protein RadA, GLYCEROL, ... | | Authors: | Fischer, G, Marsh, M.E, Scott, D.E, Coyne, A.G, Skidmore, J, Abell, C, Hyvonen, M. | | Deposit date: | 2020-01-12 | | Release date: | 2021-01-27 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.52 Å) | | Cite: | A small-molecule inhibitor of the BRCA2-RAD51 interaction modulates RAD51 assembly and potentiates DNA damage-induced cell death.
Cell Chem Biol, 28, 2021
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5M19
 | | Crystal structure of PBP2a from MRSA in the presence of Oxacillin ligand | | Descriptor: | CADMIUM ION, Penicillin-binding protein 2, beta-muramic acid | | Authors: | Molina, R, Batuecas, M.T, Hermoso, J.A. | | Deposit date: | 2016-10-07 | | Release date: | 2017-02-08 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Conformational Dynamics in Penicillin-Binding Protein 2a of Methicillin-Resistant Staphylococcus aureus, Allosteric Communication Network and Enablement of Catalysis.
J. Am. Chem. Soc., 139, 2017
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6TX7
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6UH0
 | | Human Carbonic Anhydrase 2 in complex with SB4-202 | | Descriptor: | 4-methyl-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione, Carbonic anhydrase 2, ZINC ION | | Authors: | Murray, A.B, Lomelino, C.L, McKenna, R. | | Deposit date: | 2019-09-26 | | Release date: | 2019-12-18 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.306 Å) | | Cite: | "A Sweet Combination": Developing Saccharin and Acesulfame K Structures for Selectively Targeting the Tumor-Associated Carbonic Anhydrases IX and XII.
J.Med.Chem., 63, 2020
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7C1L
 | | Crystal structure of the starter condensation domain of rhizomide synthetase RzmA mutant R148A in complex with C8-CoA | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Non-ribosomal peptide synthetase modules, OCTANOYL-COENZYME A | | Authors: | Zhong, L, Diao, X, Zhang, N, Li, F.W, Zhou, H.B, Chen, H.N, Ren, X, Zhang, Y, Wu, D, Bian, X. | | Deposit date: | 2020-05-05 | | Release date: | 2020-11-25 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Engineering and elucidation of the lipoinitiation process in nonribosomal peptide biosynthesis.
Nat Commun, 12, 2021
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6TXO
 | | Crystal structure of the haemagglutinin mutant (Gln226Leu, Del228) from an H10N7 seal influenza virus isolated in Germany in complex with avian receptor analogue 3'-SLN | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Zhang, J, Xiong, X, Purkiss, A, Walker, P, Gamblin, S, Skehel, J.J. | | Deposit date: | 2020-01-14 | | Release date: | 2020-10-21 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Hemagglutinin Traits Determine Transmission of Avian A/H10N7 Influenza Virus between Mammals.
Cell Host Microbe, 28, 2020
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6TY5
 | | Crystal structure of human TLR8 in complex with Compound 11 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 5-methyl-7-(7-methyl-2-piperidin-4-yl-indazol-5-yl)furo[3,2-c]pyridin-4-one, Toll-like receptor 8, ... | | Authors: | Faller, M, Zink, F. | | Deposit date: | 2020-01-15 | | Release date: | 2020-08-12 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.793 Å) | | Cite: | Target-Based Identification and Optimization of 5-Indazol-5-yl Pyridones as Toll-like Receptor 7 and 8 Antagonists Using a Biochemical TLR8 Antagonist Competition Assay.
J.Med.Chem., 63, 2020
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6TYP
 | | KEAP1 Kelch domain in complex with Compound 2 | | Descriptor: | (3S)-3-[2-(benzenecarbonyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]-3-(1-ethyl-4-methyl-1H-benzotriazol-5-yl)propanoic acid, FORMIC ACID, Kelch-like ECH-associated protein 1 | | Authors: | Marcotte, D.J. | | Deposit date: | 2019-08-09 | | Release date: | 2020-01-15 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Design, synthesis and identification of novel, orally bioavailable non-covalent Nrf2 activators.
Bioorg.Med.Chem.Lett., 30, 2020
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7BAV
 | | A de novo pentameric coiled-coil assembly: CC-Type2-(TgLaId)4-W19BrPhe. | | Descriptor: | CC-Type2-(TgLaId)4-W19BrPhe | | Authors: | Martin, F.J.O, Dawson, W.M, Shelley, K, Brady, R.L, Woolfson, D.N. | | Deposit date: | 2020-12-16 | | Release date: | 2021-04-28 | | Last modified: | 2021-11-17 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Coiled coils 9-to-5: rational de novo design of alpha-helical barrels with tunable oligomeric states.
Chem Sci, 12, 2021
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6UID
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5M3E
 | | Macrodomain of Thermus aquaticus DarG in complex with ADP-ribose | | Descriptor: | ADENOSINE-5-DIPHOSPHORIBOSE, Appr-1-p processing domain protein, CHLORIDE ION | | Authors: | Ariza, A. | | Deposit date: | 2016-10-14 | | Release date: | 2016-12-21 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | The Toxin-Antitoxin System DarTG Catalyzes Reversible ADP-Ribosylation of DNA.
Mol. Cell, 64, 2016
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5LOH
 | | Kinase domain of human Greatwall | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, STAUROSPORINE, ... | | Authors: | Rajasekaran, M.B, Pearl, L.H, Oliver, A.W. | | Deposit date: | 2016-08-09 | | Release date: | 2016-09-07 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | A first generation inhibitor of human Greatwall kinase, enabled by structural and functional characterisation of a minimal kinase domain construct.
Oncotarget, 7, 2016
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