8A7K
 
 | | PcIDS1 in complex with Mg2+/Mn2+, IPP, and ZOL | | Descriptor: | 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, GLYCEROL, Isoprenyl diphosphate synthase, ... | | Authors: | Ecker, F, Boland, W, Groll, M. | | Deposit date: | 2022-06-21 | | Release date: | 2023-05-31 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Metal-dependent enzyme symmetry guides the biosynthetic flux of terpene precursors.
Nat.Chem., 15, 2023
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8A6V
 | | PcIDS1 in complex with Mg2+ and IPP | | Descriptor: | 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, Isoprenyl diphosphate synthase, MAGNESIUM ION | | Authors: | Ecker, F, Boland, W, Groll, M. | | Deposit date: | 2022-06-20 | | Release date: | 2023-05-31 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Metal-dependent enzyme symmetry guides the biosynthetic flux of terpene precursors.
Nat.Chem., 15, 2023
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7BUK
 | | T1 lipase mutant - 5M (D43E/T118N/E226D/E250L/N304E) | | Descriptor: | CALCIUM ION, Lipase, ZINC ION | | Authors: | Ishak, S.N.H, Rahman, R.N.Z.R.A, Ali, M.S.M, Leow, A.T.C, Kamarudin, N.H.A. | | Deposit date: | 2020-04-07 | | Release date: | 2021-04-07 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.644 Å) | | Cite: | Structure elucidation and docking analysis of 5M mutant of T1 lipase Geobacillus zalihae.
Plos One, 16, 2021
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5ZZ0
 | | HUMAN GELSOLIN FROM RESIDUES GLU28 TO ARG161 WITH CALCIUM | | Descriptor: | 2-(2-METHOXYETHOXY)ETHANOL, CALCIUM ION, Gelsolin | | Authors: | Sharma, P, Badmalia, M, Yadav, S.P.S, Singh, S. | | Deposit date: | 2018-05-29 | | Release date: | 2019-06-05 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.635 Å) | | Cite: | Bonsai Gelsolin Survives Heat Induced Denaturation by Forming beta-Amyloids which Leach Out Functional Monomer.
Sci Rep, 8, 2018
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7QGL
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7NTB
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5ZYL
 | | Crystal structure of CERT START domain in complex with compound E25A | | Descriptor: | 2-[4-[4-cyclopentyl-3-[(1~{S},2~{R})-2-pyridin-2-ylcyclopropyl]phenyl]phenyl]sulfonylethanol, GLYCEROL, LIPID-TRANSFER PROTEIN CERT | | Authors: | Suzuki, M, Nakao, N, Ueno, M, Sakai, S, Egawa, D, Hanzawa, H, Kawasaki, S, Kumagai, K, Kobayashi, S, Hanada, K. | | Deposit date: | 2018-05-25 | | Release date: | 2019-02-27 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Natural ligand-nonmimetic inhibitors of the lipid-transfer protein CERT
Commun Chem, 2019
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7ZSL
 | | human purine nucleoside phosphorylase in complex with JS-196 | | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Purine nucleoside phosphorylase, ... | | Authors: | Djukic, S, Pachl, P, Rezacova, P. | | Deposit date: | 2022-05-07 | | Release date: | 2023-05-17 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Design, Synthesis, Biological Evaluation, and Crystallographic Study of Novel Purine Nucleoside Phosphorylase Inhibitors.
J.Med.Chem., 66, 2023
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7ZSM
 | | human purine nucleoside phosphorylase in complex with JS-375 | | Descriptor: | CHLORIDE ION, Purine nucleoside phosphorylase, SULFATE ION, ... | | Authors: | Djukic, S, Pachl, P, Rezacova, P. | | Deposit date: | 2022-05-07 | | Release date: | 2023-05-17 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Design, Synthesis, Biological Evaluation, and Crystallographic Study of Novel Purine Nucleoside Phosphorylase Inhibitors.
J.Med.Chem., 66, 2023
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7QGA
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7ZSQ
 | | human purine nucleoside phosphorylase in complex with JS-555 | | Descriptor: | 1,2-ETHANEDIOL, 6-tungstotellurate(VI), DI(HYDROXYETHYL)ETHER, ... | | Authors: | Djukic, S, Pachl, P, Rezacova, P. | | Deposit date: | 2022-05-08 | | Release date: | 2023-05-17 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.77 Å) | | Cite: | Design, Synthesis, Biological Evaluation, and Crystallographic Study of Novel Purine Nucleoside Phosphorylase Inhibitors.
J.Med.Chem., 66, 2023
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7ZSX
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7ZSR
 | | purine nucleoside phosphorylase in complex with JS-379 | | Descriptor: | ACETATE ION, Purine nucleoside phosphorylase, [(~{E})-2-[5-bromanyl-2-[(4-oxidanylidene-3,5-dihydropyrrolo[3,2-d]pyrimidin-7-yl)sulfanyl]phenyl]ethenyl]phosphonic acid | | Authors: | Djukic, S, Pachl, P, Rezacova, P. | | Deposit date: | 2022-05-08 | | Release date: | 2023-05-17 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | Design, Synthesis, Biological Evaluation, and Crystallographic Study of Novel Purine Nucleoside Phosphorylase Inhibitors.
J.Med.Chem., 66, 2023
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7ZRX
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7BUZ
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7ZSV
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8A4M
 | | Crystal structure of the VIM-2 acquired metallo-beta-Lactamase in complex with compound 8 (JMV-7061) | | Descriptor: | (2~{S})-2-[bis(1~{H}-imidazol-4-ylmethyl)amino]-5-(3-phenyl-5-sulfanylidene-1~{H}-1,2,4-triazol-4-yl)pentanoic acid, ACETATE ION, Metallo-beta-lactamase VIM-2-like protein, ... | | Authors: | Tassone, G, Benvenuti, M, Verdirosa, F, Corsica, G, Sannio, F, Docquier, J.D, Pozzi, C, Mangani, S. | | Deposit date: | 2022-06-13 | | Release date: | 2023-04-26 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Optimization of 1,2,4-Triazole-3-thiones toward Broad-Spectrum Metallo-beta-lactamase Inhibitors Showing Potent Synergistic Activity on VIM- and NDM-1-Producing Clinical Isolates.
J.Med.Chem., 65, 2022
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8A7A
 | | PcIDS1 in complex with Mg2+ and 3-Br-GPP | | Descriptor: | Isoprenyl diphosphate synthase, MAGNESIUM ION, [(2Z)-3-bromanyl-7-methyl-octa-2,6-dienyl] phosphono hydrogen phosphate | | Authors: | Ecker, F, Boland, W, Groll, M. | | Deposit date: | 2022-06-20 | | Release date: | 2023-05-31 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Metal-dependent enzyme symmetry guides the biosynthetic flux of terpene precursors.
Nat.Chem., 15, 2023
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7F1D
 | | Crystal Structure of BACE1 in complex with N-{3-[(4R,5R,6R)-2-amino-5-fluoro-4,6-dimethyl-5,6-dihydro-4H-1,3-thiazin-4-yl]-4-fluorophenyl}-2H,3H-[1,4]dioxino[2,3-c]pyridine-7-carboxamide | | Descriptor: | Beta-secretase 1, IODIDE ION, N-[3-[(4R,5R,6R)-2-azanyl-5-fluoranyl-4,6-dimethyl-5,6-dihydro-1,3-thiazin-4-yl]-4-fluoranyl-phenyl]-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine-7-carboxamide | | Authors: | Ueno, T, Matsuoka, E, Asada, N, Yamamoto, S, Kanegawa, N, Ito, M, Ito, H, Moechars, D, Rombouts, F.J.R, Gijsen, H.J.M, Kusakabe, K.I. | | Deposit date: | 2021-06-09 | | Release date: | 2022-02-23 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Discovery of Extremely Selective Fused Pyridine-Derived beta-Site Amyloid Precursor Protein-Cleaving Enzyme (BACE1) Inhibitors with High In Vivo Efficacy through 10s Loop Interactions.
J.Med.Chem., 64, 2021
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8A65
 | | Small molecule stabilizer (compound 3) for FOXO1 and 14-3-3 | | Descriptor: | (3~{S})-1-[2-azanyl-3,5-bis(chloranyl)phenyl]carbonyl-~{N}-[2-[2-(dimethylamino)ethyldisulfanyl]ethyl]piperidine-3-carboxamide, 14-3-3 protein sigma, Forkhead box protein O1, ... | | Authors: | Kenanova, D.N, Visser, E.J, Virta, J, Sijbesma, E, Centorrino, F, Zhong, M, Vickery, H, Neitz, J, Brunsveld, L, Ottmann, C, Arkin, M.R. | | Deposit date: | 2022-06-16 | | Release date: | 2023-04-26 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | A Systematic Approach to the Discovery of Protein-Protein Interaction Stabilizers.
Acs Cent.Sci., 9, 2023
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7ZRW
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7ZS4
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7ZSN
 | | human purine nucleoside phosphorylase in complex with JS-379 | | Descriptor: | 6-tungstotellurate(VI), Purine nucleoside phosphorylase, SULFATE ION, ... | | Authors: | Djukic, S, Pachl, P, Rezacova, P. | | Deposit date: | 2022-05-07 | | Release date: | 2023-05-17 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.36 Å) | | Cite: | Design, Synthesis, Biological Evaluation, and Crystallographic Study of Novel Purine Nucleoside Phosphorylase Inhibitors.
J.Med.Chem., 66, 2023
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7ZSP
 | | human purine nucleoside phosphorylase in complex with JS-555 | | Descriptor: | 6-tungstotellurate(VI), Purine nucleoside phosphorylase, SODIUM ION, ... | | Authors: | Djukic, S, Pachl, P, Rezacova, P. | | Deposit date: | 2022-05-08 | | Release date: | 2023-05-17 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.29 Å) | | Cite: | Design, Synthesis, Biological Evaluation, and Crystallographic Study of Novel Purine Nucleoside Phosphorylase Inhibitors.
J.Med.Chem., 66, 2023
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8A7L
 | | PcIDS1 in complex with Mg2+, GPP, and ZOL | | Descriptor: | GERANYL DIPHOSPHATE, GLYCEROL, Isoprenyl diphosphate synthase, ... | | Authors: | Ecker, F, Boland, W, Groll, M. | | Deposit date: | 2022-06-21 | | Release date: | 2023-05-31 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Metal-dependent enzyme symmetry guides the biosynthetic flux of terpene precursors.
Nat.Chem., 15, 2023
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