8BAN
 
 | | Secretagogin (mouse) in complex with its target peptide from SNAP-25 | | Descriptor: | CALCIUM ION, Green fluorescent protein,Synaptosomal-associated protein 25, Secretagogin | | Authors: | Schnell, R, Szodorai, E. | | Deposit date: | 2022-10-11 | | Release date: | 2024-04-03 | | Last modified: | 2024-04-24 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | A hydrophobic groove in secretagogin allows for alternate interactions with SNAP-25 and syntaxin-4 in endocrine tissues.
Proc.Natl.Acad.Sci.USA, 121, 2024
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8BAV
 | | Secretagogin (human) in complex with its target peptide from SNAP-25 | | Descriptor: | ACETATE ION, CALCIUM ION, Green fluorescent protein,Synaptosomal-associated protein 25, ... | | Authors: | Schnell, R, Szodorai, E. | | Deposit date: | 2022-10-12 | | Release date: | 2024-04-03 | | Last modified: | 2024-04-24 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | A hydrophobic groove in secretagogin allows for alternate interactions with SNAP-25 and syntaxin-4 in endocrine tissues.
Proc.Natl.Acad.Sci.USA, 121, 2024
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8BWH
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8BWE
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7NCX
 | | Crystal structure of GH30 (double mutant EE) from Thermothelomyces thermophila. | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Dimarogona, M, Nikolaivits, E, Topakas, E, Weiss, M, Feiler, C.G. | | Deposit date: | 2021-01-29 | | Release date: | 2021-09-08 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.36 Å) | | Cite: | Unique features of the bifunctional GH30 from Thermothelomyces thermophila revealed by structural and mutational studies
Carbohydrate Polymers, 273, 2021
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6OAK
 | | Structure of human PARG complexed with JA2131 | | Descriptor: | (8S)-1,3-dimethyl-8-{[2-(morpholin-4-yl)ethyl]sulfanyl}-6-sulfanylidene-1,3,6,7,8,9-hexahydro-2H-purin-2-one, Poly(ADP-ribose) glycohydrolase | | Authors: | Brosey, C.A, Ahmed, Z, Warden, S, Tainer, J.A. | | Deposit date: | 2019-03-16 | | Release date: | 2020-03-18 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Selective small molecule PARG inhibitor causes replication fork stalling and cancer cell death.
Nat Commun, 10, 2019
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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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7SAF
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8BTQ
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7N7W
 | | Crystal Structure of SARS-CoV-2 NendoU in complex with CSC000178569 | | Descriptor: | N-(2-fluorophenyl)-N'-methylurea, Uridylate-specific endoribonuclease | | Authors: | Godoy, A.S, Douangamath, A, Nakamura, A.M, Dias, A, Krojer, T, Noske, G.D, Gawiljuk, V.O, Fernandes, R.S, Fairhead, M, Powell, A, Dunnet, L, Aimon, A, Fearon, D, Brandao-Neto, J, Skyner, R, von Delft, F, Oliva, G. | | Deposit date: | 2021-06-11 | | Release date: | 2021-09-08 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.42 Å) | | Cite: | Allosteric regulation and crystallographic fragment screening of SARS-CoV-2 NSP15 endoribonuclease.
Nucleic Acids Res., 51, 2023
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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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4ZOJ
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8BVX
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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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6A8Z
 | | Crystal structure of M1 zinc metallopeptidase from Deinococcus radiodurans | | Descriptor: | SODIUM ION, TYROSINE, ZINC ION, ... | | Authors: | Agrawal, R, Kumar, A, Makde, R.D. | | Deposit date: | 2018-07-11 | | Release date: | 2019-07-17 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.045 Å) | | Cite: | Two-domain aminopeptidase of M1 family: Structural features for substrate binding and gating in absence of C-terminal domain.
J.Struct.Biol., 208, 2019
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8BIK
 | | Crystal structure of human AMPK heterotrimer in complex with allosteric activator C455 | | Descriptor: | (3~{R},3~{a}~{R},6~{R},6~{a}~{R})-6-[[6-chloranyl-5-[4-[4-[[dimethyl(oxidanyl)-$l^{4}-sulfanyl]amino]phenyl]phenyl]-3~{H}-imidazo[4,5-b]pyridin-2-yl]oxy]-2,3,3~{a},5,6,6~{a}-hexahydrofuro[3,2-b]furan-3-ol, 5'-AMP-activated protein kinase catalytic subunit alpha-2, 5'-AMP-activated protein kinase subunit beta-1, ... | | Authors: | Schimpl, M, Mather, K.M, Boland, M.L, Rivers, E.L, Srivastava, A, Hemsley, P, Robinson, J, Wan, P.T, Hansen, J, Read, J.A, Trevaskis, J.L, Smith, D.M. | | Deposit date: | 2022-11-02 | | Release date: | 2024-05-15 | | Last modified: | 2024-06-12 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Direct beta 1/ beta 2 AMPK activation reduces liver steatosis but not fibrosis in a mouse model of non-alcoholic steatohepatitis
Biorxiv, 2024
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7N83
 | | Crystal Structure of SARS-CoV-2 NendoU in complex with Z2443429438 | | Descriptor: | (3S)-1-(phenylsulfonyl)pyrrolidin-3-amine, CITRIC ACID, Uridylate-specific endoribonuclease | | Authors: | Godoy, A.S, Douangamath, A, Nakamura, A.M, Dias, A, Krojer, T, Noske, G.D, Gawiljuk, V.O, Fernandes, R.S, Fairhead, M, Powell, A, Dunnet, L, Aimon, A, Fearon, D, Brandao-Neto, J, Skyner, R, von Delft, F, Oliva, G. | | Deposit date: | 2021-06-12 | | Release date: | 2021-09-08 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.91 Å) | | Cite: | Allosteric regulation and crystallographic fragment screening of SARS-CoV-2 NSP15 endoribonuclease.
Nucleic Acids Res., 51, 2023
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6OEB
 | | Crystal structure of HMCES SRAP domain in complex with 3' overhang DNA | | Descriptor: | 1,2-ETHANEDIOL, DNA (5'-D(*CP*CP*AP*GP*AP*CP*GP*TP*T)-3'), DNA (5'-D(*GP*TP*CP*TP*GP*G)-3'), ... | | Authors: | Halabelian, L, Ravichandran, M, Li, Y, Zeng, H, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Structural Genomics Consortium (SGC) | | Deposit date: | 2019-03-27 | | Release date: | 2019-04-10 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural basis of HMCES interactions with abasic DNA and multivalent substrate recognition.
Nat.Struct.Mol.Biol., 26, 2019
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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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8PBU
 | | Mutant K1482M of the dihydroorotase domain of human CAD protein bound to the inhibitor fluoorotate | | Descriptor: | 5-FLUORO-2,6-DIOXO-1,2,3,6-TETRAHYDROPYRIMIDINE-4-CARBOXYLIC ACID, CAD protein, FORMIC ACID, ... | | Authors: | del Cano-Ochoa, F, Ramon-Maiques, S. | | Deposit date: | 2023-06-09 | | Release date: | 2023-11-01 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.67 Å) | | Cite: | Beyond genetics: Deciphering the impact of missense variants in CAD deficiency.
J Inherit Metab Dis, 46, 2023
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8BOX
 | | LSD1-CoREST in complex with AW4 and SNAG peptide | | Descriptor: | Lysine-specific histone demethylase 1A, REST corepressor 1, Zinc finger protein SNAI1, ... | | Authors: | Caroli, J, Mattevi, A. | | Deposit date: | 2022-11-15 | | Release date: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (2.82 Å) | | Cite: | Distal drug resistance mutations promote covalent inhibitor-adduct Grob fragmentation in LSD1
to be published
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6OFQ
 | | ABC transporter-associated periplasmic binding protein DppA from Helicobacter pylori in complex with peptide STSA | | Descriptor: | Heme-binding protein A / AI-2 binding protein A, SER-THR-SER-ALA | | Authors: | Rahman, M.M, Machuca, M.A, Khan, M.F, Barlow, C.K, Schittenhelm, R.B, Roujeinikova, A. | | Deposit date: | 2019-03-31 | | Release date: | 2019-08-21 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Molecular Basis of Unexpected Specificity of ABC Transporter-Associated Substrate-Binding Protein DppA from Helicobacter pylori.
J.Bacteriol., 201, 2019
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6L7Y
 | | Crystal structure of Cet1 from Trypanosoma cruzi in complex with #466 ligand. | | Descriptor: | 3,4,6,7-tetrahydroacridine-1,8(2H,5H)-dione, SULFATE ION, mRNA_triPase domain-containing protein | | Authors: | Kuwabara, N, Ho, K. | | Deposit date: | 2019-11-03 | | Release date: | 2020-06-03 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.51 Å) | | Cite: | Crystal structures of the RNA triphosphatase fromTrypanosoma cruziprovide insights into how it recognizes the 5'-end of the RNA substrate.
J.Biol.Chem., 295, 2020
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8BOP
 | | LSD1-CoREST in complex with AW4, long soaking | | Descriptor: | Lysine-specific histone demethylase 1A, REST corepressor 1, [[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{S})-5-[7,8-dimethyl-2,4-bis(oxidanylidene)-5-[3-[4-(3-phenylphenyl)phenyl]propanoyl]-1~{H}-benzo[g]pteridin-10-yl]-2,3,4-tris(oxidanyl)pentyl] hydrogen phosphate | | Authors: | Caroli, J, Mattevi, A. | | Deposit date: | 2022-11-15 | | Release date: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (2.74 Å) | | Cite: | Distal drug resistance mutations promote covalent inhibitor-adduct Grob fragmentation in LSD1
to be published
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6LCC
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