7QG6
| Co-crystal structure of UPF3A-RRM-NOPS-L with UPF2-MIF4GIII | Descriptor: | CHLORIDE ION, Regulator of nonsense transcripts 2, Regulator of nonsense transcripts 3A, ... | Authors: | Powers, K.T, Bufton, J.C, Szeto, J.A, Schaffitzel, C. | Deposit date: | 2021-12-07 | Release date: | 2022-07-20 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | Structures of nonsense-mediated mRNA decay factors UPF3B and UPF3A in complex with UPF2 reveal molecular basis for competitive binding and for neurodevelopmental disorder-causing mutation. Nucleic Acids Res., 50, 2022
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6TWW
| Variant W229D/F290W-19 of the last common ancestor of Gram-negative bacteria beta-lactamase class A (GNCA4) | Descriptor: | ACETATE ION, Beta-Lactamase (GNCA4), FORMIC ACID, ... | Authors: | Gavira, J.A, Risso, V, Sanchez-Ruiz, J.M, Romero-Rivera, A, Kamerlin, S.C.L. | Deposit date: | 2020-01-13 | Release date: | 2020-06-03 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.38 Å) | Cite: | Enhancing ade novoenzyme activity by computationally-focused ultra-low-throughput screening. Chem Sci, 11, 2020
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6U8K
| Crystal structure of hepatitis C virus IRES junction IIIabc in complex with Fab HCV3 | Descriptor: | Heavy chain of Fab HCV3, JIIIabc RNA (68-MER), Light chain of Fab HCV3 | Authors: | Koirala, D, Lewicka, A, Koldobskaya, Y, Huang, H, Piccirilli, J.A. | Deposit date: | 2019-09-05 | Release date: | 2019-12-04 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Synthetic Antibody Binding to a Preorganized RNA Domain of Hepatitis C Virus Internal Ribosome Entry Site Inhibits Translation. Acs Chem.Biol., 15, 2020
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6U63
| Mcl-1 bound to compound 17 | Descriptor: | 2-{[(naphthalen-2-yl)sulfonyl]amino}-5-[(2-phenylethyl)sulfanyl]benzoic acid, Induced myeloid leukemia cell differentiation protein Mcl-1 | Authors: | Stuckey, J.A. | Deposit date: | 2019-08-29 | Release date: | 2020-03-04 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Discovery and Characterization of 2,5-Substituted Benzoic Acid Dual Inhibitors of the Anti-apoptotic Mcl-1 and Bfl-1 Proteins. J.Med.Chem., 63, 2020
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6U9K
| MLL1 SET N3861I/Q3867L bound to inhibitor 18 (TC-5153) | Descriptor: | 5'-([(3S)-3-amino-3-carboxypropyl]{[1-(3,3-diphenylpropyl)azetidin-3-yl]methyl}amino)-5'-deoxyadenosine, GLYCEROL, Histone-lysine N-methyltransferase, ... | Authors: | Petrunak, E.M, Stuckey, J.A. | Deposit date: | 2019-09-09 | Release date: | 2020-07-01 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Discovery of Potent Small-Molecule Inhibitors of MLL Methyltransferase. Acs Med.Chem.Lett., 11, 2020
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7Q9X
| Crystal structure of Chromobacterium violaceum aminotransferase in complex with PLP-pyruvate adduct | Descriptor: | (3E)-4-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}-2-oxobut-3-enoic acid, 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, ... | Authors: | Isupov, M.N, Mitchell, D, Sayer, C, Littlechild, J.A. | Deposit date: | 2021-11-15 | Release date: | 2022-11-23 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Aminotransferase from Chromobacterium violaceum in complex with PLP-pyruvate adduct. To Be Published
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6TXD
| Variant W229D/F290W-12 of the last common ancestor of Gram-negative bacteria beta-lactamase class A (GNCA4) | Descriptor: | ACETATE ION, Beta lactamase (GNCA4-12), FORMIC ACID, ... | Authors: | Gavira, J.A, Risso, V, Sanchez-Ruiz, J.M, Romero-Rivera, A, Kamerlin, S.C.L. | Deposit date: | 2020-01-14 | Release date: | 2020-06-03 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Enhancing ade novoenzyme activity by computationally-focused ultra-low-throughput screening. Chem Sci, 11, 2020
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7Q9Z
| Crystal structure of Chromobacterium violaceum aminotransferase in complex with PLP-pyruvate adduct | Descriptor: | (3E)-4-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}-2-oxobut-3-enoic acid, 1,2-ETHANEDIOL, CHLORIDE ION, ... | Authors: | Isupov, M.N, Mitchell, D, Sayer, C, Littlechild, J.A. | Deposit date: | 2021-11-15 | Release date: | 2022-11-23 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Aminotransferase from Chromobacterium violaceum in complex with PLP-pyruvate adduct. To Be Published
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6U6F
| The crystal structure of anti-apoptotic Mcl-1 protein in complex with 2, 5-substituted benzoic acid inhibitor 21 | Descriptor: | 2-[({4-[(4-tert-butylphenyl)methyl]piperazin-1-yl}sulfonyl)amino]-5-[(2-phenylethyl)sulfanyl]benzoic acid, Induced myeloid leukemia cell differentiation protein Mcl-1 | Authors: | Yang, Y, Stuckey, J.A, Nikolovska-Coleska, Z. | Deposit date: | 2019-08-29 | Release date: | 2020-03-04 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Discovery and Characterization of 2,5-Substituted Benzoic Acid Dual Inhibitors of the Anti-apoptotic Mcl-1 and Bfl-1 Proteins. J.Med.Chem., 63, 2020
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7QEJ
| Structure of the ligand binding domain of the antibiotic biosynthesis regulator AdmX from the rhizobacterium Serratia plymuthica A153 bound to the auxin indole-3-acetic acid (IAA). | Descriptor: | 1H-INDOL-3-YLACETIC ACID, MAGNESIUM ION, TRANSCRIPTIONAL REGULATOR AdmX | Authors: | Gavira, J.A, Rico-Jimenez, M, Castellvi, A, Krell, T, Matilla, M.A. | Deposit date: | 2021-12-03 | Release date: | 2022-12-14 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | Emergence of an Auxin Sensing Domain in Plant-Associated Bacteria. Mbio, 14, 2023
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7QEK
| Structure of the ligand binding domain of the antibiotic biosynthesis regulator AdmX from the rhizobacterium Serratia plymuthica A153 bound to the auxin indole-3-piruvic acid (IPA). | Descriptor: | 3-(1H-INDOL-3-YL)-2-OXOPROPANOIC ACID, MAGNESIUM ION, regulator AdmX | Authors: | Gavira, J.A, Rico-Jimenez, M, Castellvi, A, Krell, T, Matilla, M.A. | Deposit date: | 2021-12-03 | Release date: | 2022-12-14 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Emergence of an Auxin Sensing Domain in Plant-Associated Bacteria. Mbio, 14, 2023
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7QTR
| GB1 in mammalian cells, 50 uM | Descriptor: | Immunoglobulin G-binding protein G | Authors: | Gerez, J.A, Prymaczok, N.C, Kadavath, H, Gosh, D, Butikofer, M, Guntert, P, Riek, R. | Deposit date: | 2022-01-15 | Release date: | 2022-12-21 | Last modified: | 2024-06-19 | Method: | SOLUTION NMR | Cite: | Protein structure determination in human cells by in-cell NMR and a reporter system to optimize protein delivery or transexpression. Commun Biol, 5, 2022
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7QTS
| GB1 in mammalian cells, 10 uM | Descriptor: | Immunoglobulin G-binding protein G | Authors: | Gerez, J.A, Prymaczok, N.C, Kadavath, H, Gosh, D, Butikofer, M, Guntert, P, Riek, R. | Deposit date: | 2022-01-15 | Release date: | 2022-12-21 | Last modified: | 2024-06-19 | Method: | SOLUTION NMR | Cite: | Protein structure determination in human cells by in-cell NMR and a reporter system to optimize protein delivery or transexpression. Commun Biol, 5, 2022
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6UEB
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7QSJ
| Methylmannose polysaccharide hydrolase MmpH from M. hassiacum | Descriptor: | GLYCEROL, MAGNESIUM ION, Methylmannose polysaccharide hydrolase (MmpH), ... | Authors: | Ripoll-Rozada, J, Manso, J.A, Pereira, P.J.B. | Deposit date: | 2022-01-13 | Release date: | 2023-01-25 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Self-recycling and partially conservative replication of mycobacterial methylmannose polysaccharides. Commun Biol, 6, 2023
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7QON
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7QSG
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7QVW
| R396W mutant of the vanadium-dependent bromoperoxidase from Corallina pilulifera | Descriptor: | CALCIUM ION, GLYCEROL, PHOSPHATE ION, ... | Authors: | Isupov, M.N, Mitchell, D, Littelchild, J.A, Garcia-Rodriguez, E. | Deposit date: | 2022-01-23 | Release date: | 2023-02-01 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.922 Å) | Cite: | R396W mutant of the vanadium-dependent bromoperoxidase from Corallina pilulifera To Be Published
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7QW3
| R396W mutant of the vanadium-dependent bromoperoxidase from Corallina pilulifera in complex with Br ion. | Descriptor: | BROMIDE ION, CALCIUM ION, GLYCEROL, ... | Authors: | Isupov, M.N, Mitchell, D, Littelchild, J.A, Garcia-Rodriguez, E. | Deposit date: | 2022-01-24 | Release date: | 2023-02-01 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | R396W mutant of the vanadium-dependent bromoperoxidase from Corallina pilulifera To Be Published
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7QWI
| Vanadate complex of the vanadium-dependent bromoperoxidase from Corallina pilulifera | Descriptor: | 1,2-ETHANEDIOL, BROMIDE ION, CALCIUM ION, ... | Authors: | Isupov, M.N, Mitchell, D, Littelchild, J.A, Garcia-Rodriguez, E. | Deposit date: | 2022-01-25 | Release date: | 2023-02-01 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | R396W mutant of the vanadium-dependent bromoperoxidase from Corallina pilulifera To Be Published
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7QYY
| Vanadium-dependent bromoperoxidase from Corallina pilulifera in complex with chloride | Descriptor: | CALCIUM ION, CHLORIDE ION, GLYCEROL, ... | Authors: | Isupov, M.N, Mitchell, D, Littelchild, J.A, Garcia-Rodriguez, E. | Deposit date: | 2022-01-29 | Release date: | 2023-02-08 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.999 Å) | Cite: | R396W mutant of the vanadium-dependent bromoperoxidase from Corallina pilulifera To Be Published
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6U9N
| MLL1 SET N3861I/Q3867L bound to inhibitor 14 (TC-5139) | Descriptor: | 5'-{[(3S)-3-amino-3-carboxypropyl]({1-[(4-chlorophenyl)methyl]azetidin-3-yl}methyl)amino}-5'-deoxyadenosine, Histone-lysine N-methyltransferase, ZINC ION | Authors: | Petrunak, E.M, Stuckey, J.A. | Deposit date: | 2019-09-09 | Release date: | 2020-07-01 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Discovery of Potent Small-Molecule Inhibitors of MLL Methyltransferase. Acs Med.Chem.Lett., 11, 2020
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7QRL
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6O9S
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7QVD
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