7BJX
| Crystal structure of CHK1-10pt-mutant complex with compound 26 | Descriptor: | 4-amino-7-methyl-2-[(1-methyl-1H-pyrazol-4-yl)amino]-6-[(2R)-2-methylpyrrolidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile, Serine/threonine-protein kinase Chk1 | Authors: | Dokurno, P, Surgenor, A.E, Williamson, D.S. | Deposit date: | 2021-01-14 | Release date: | 2021-07-07 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Design and Synthesis of Pyrrolo[2,3- d ]pyrimidine-Derived Leucine-Rich Repeat Kinase 2 (LRRK2) Inhibitors Using a Checkpoint Kinase 1 (CHK1)-Derived Crystallographic Surrogate. J.Med.Chem., 64, 2021
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7BJJ
| Crystal structure of CHK1-10pt-mutant complex with compound 9 | Descriptor: | 1H-pyrazolo[3,4-d]pyrimidin-4-amine, CHLORIDE ION, Serine/threonine-protein kinase Chk1 | Authors: | Dokurno, P, Surgenor, A.E, Williamson, D.S. | Deposit date: | 2021-01-14 | Release date: | 2021-07-07 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Design and Synthesis of Pyrrolo[2,3- d ]pyrimidine-Derived Leucine-Rich Repeat Kinase 2 (LRRK2) Inhibitors Using a Checkpoint Kinase 1 (CHK1)-Derived Crystallographic Surrogate. J.Med.Chem., 64, 2021
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7BK1
| Crystal structure of CHK1-10pt-mutant complex with compound 32 | Descriptor: | 4-amino-2-[(1,3-dimethyl-1H-pyrazol-4-yl)amino]-7-methyl-6-[(2R)-2-methylpyrrolidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile, CHLORIDE ION, Serine/threonine-protein kinase Chk1 | Authors: | Dokurno, P, Surgenor, A.E, Williamson, D.S. | Deposit date: | 2021-01-15 | Release date: | 2021-07-07 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Design and Synthesis of Pyrrolo[2,3- d ]pyrimidine-Derived Leucine-Rich Repeat Kinase 2 (LRRK2) Inhibitors Using a Checkpoint Kinase 1 (CHK1)-Derived Crystallographic Surrogate. J.Med.Chem., 64, 2021
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7QW7
| Adenine-specific DNA methyltransferase M.BseCI complexed with AdoHcy and cognate fully methylated DNA duplex | Descriptor: | Fully methylated DNA duplex, Modification methylase BseCI, S-ADENOSYL-L-HOMOCYSTEINE | Authors: | Mitsikas, D.A, Kouyianou, K, Kotsifaki, D, Providaki, M, Bouriotis, V, Glykos, N.M, Kokkinidis, M. | Deposit date: | 2022-01-24 | Release date: | 2023-01-25 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structure of M.BseCI DNA methyltransferase from Geobacillus stearothermophilus. To Be Published
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5NDI
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6Q4I
| CDK2 in complex with FragLite35 | Descriptor: | 2-[4-[(2-oxidanylidene-3~{H}-pyridin-4-yl)oxy]phenyl]ethanoic acid, Cyclin-dependent kinase 2, DIMETHYL SULFOXIDE | Authors: | Wood, D.J, Martin, M.P, Noble, M.E.M. | Deposit date: | 2018-12-05 | Release date: | 2019-03-20 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.11 Å) | Cite: | FragLites-Minimal, Halogenated Fragments Displaying Pharmacophore Doublets. An Efficient Approach to Druggability Assessment and Hit Generation. J.Med.Chem., 62, 2019
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7OQY
| Cryo-EM structure of the cellular negative regulator TFS4 bound to the archaeal RNA polymerase | Descriptor: | Conserved protein, DNA-directed RNA polymerase subunit A', DNA-directed RNA polymerase subunit A'', ... | Authors: | Pilotto, S, Fouqueau, T, Lukoyanova, N, Sheppard, C, Lucas-Staat, S, Diaz-Santin, L.M, Matelska, D, Prangishvili, D, Cheung, A.C.M, Werner, F. | Deposit date: | 2021-06-04 | Release date: | 2021-08-25 | Last modified: | 2024-07-17 | Method: | ELECTRON MICROSCOPY (2.61 Å) | Cite: | Structural basis of RNA polymerase inhibition by viral and host factors. Nat Commun, 12, 2021
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6YUP
| Heterotetrameric structure of the rBAT-b(0,+)AT1 complex | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Neutral and basic amino acid transport protein rBAT, ... | Authors: | Wu, D, Safarian, S, Michel, H. | Deposit date: | 2020-04-27 | Release date: | 2021-01-20 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Structural basis for amino acid exchange by a human heteromeric amino acid transporter. Proc.Natl.Acad.Sci.USA, 117, 2020
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7QW5
| Adenine-specific DNA methyltransferase M.BseCI complexed with AdoHcy and cognate unmethylated DNA duplex | Descriptor: | Modification methylase BseCI, S-ADENOSYL-L-HOMOCYSTEINE, Unmethylated DNA duplex | Authors: | Mitsikas, D.A, Kouyianou, K, Kotsifaki, D, Providaki, M, Bouriotis, V, Glykos, N.M, Kokkinidis, M. | Deposit date: | 2022-01-24 | Release date: | 2023-01-25 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure of M.BseCI DNA methyltransferase from Geobacillus stearothermophilus. To Be Published
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6WAR
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7OQ4
| Cryo-EM structure of the ATV RNAP Inhibitory Protein (RIP) bound to the DNA-binding channel of the host's RNA polymerase | Descriptor: | Conserved protein, DNA-directed RNA polymerase subunit A', DNA-directed RNA polymerase subunit A'', ... | Authors: | Pilotto, S, Fouqueau, T, Lukoyanova, N, Sheppard, C, Lucas-Staat, S, Diaz-Santin, L.M, Matelska, D, Prangishvili, D, Cheung, A.C.M, Werner, F. | Deposit date: | 2021-06-02 | Release date: | 2021-08-25 | Last modified: | 2021-10-13 | Method: | ELECTRON MICROSCOPY (3.27 Å) | Cite: | Structural basis of RNA polymerase inhibition by viral and host factors. Nat Commun, 12, 2021
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8I5K
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8R9Z
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6VN4
| USP7 IN COMPLEX WITH LIGAND COMPOUND 1 | Descriptor: | 3-({4-hydroxy-1-[(2R)-2-methyl-3-phenylpropanoyl]piperidin-4-yl}methyl)quinazolin-4(3H)-one, Ubiquitin carboxyl-terminal hydrolase 7 | Authors: | Leger, P.R, Wustrow, D.J, Hu, D.X, Krapp, S, Maskos, K, Blaesse, M. | Deposit date: | 2020-01-29 | Release date: | 2020-04-29 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.69 Å) | Cite: | Discovery of Potent, Selective, and Orally Bioavailable Inhibitors of USP7 with In Vivo Antitumor Activity. J.Med.Chem., 63, 2020
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7ZA1
| GPC3-Unc5D octamer structure and role in cell migration | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Glypican-3, ... | Authors: | Akkermans, O, Delloye-Bourgeois, C, Peregrina, C, Carrasquero, M, Kokolaki, M, Berbeira-Santana, M, Chavent, M, Reynaud, F, Ritu, R, Agirre, J, Aksu, M, White, E, Lowe, E, Ben Amar, D, Zaballa, S, Huo, J, Pakos, I, McCubbin, P, Comoletti, D, Owens, R, Robinson, C, Castellani, V, del Toro, D, Seiradake, E. | Deposit date: | 2022-03-21 | Release date: | 2022-11-02 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (4.1 Å) | Cite: | GPC3-Unc5 receptor complex structure and role in cell migration. Cell, 185, 2022
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6VRL
| Cryo-EM structure of the wild-type human serotonin transporter complexed with I-paroxetine and 8B6 Fab | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 8B6 antibody, heavy chain, ... | Authors: | Coleman, J.A, Navratna, V, Yang, D. | Deposit date: | 2020-02-07 | Release date: | 2020-03-11 | Last modified: | 2020-09-23 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Chemical and structural investigation of the paroxetine-human serotonin transporter complex. Elife, 9, 2020
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7QW6
| Adenine-specific DNA methyltransferase M.BseCI complexed with AdoHcy and cognate hemimethylated DNA duplex | Descriptor: | Hemimethylated DNA duplex, Modification methylase BseCI, S-ADENOSYL-L-HOMOCYSTEINE | Authors: | Mitsikas, D.A, Kouyianou, K, Kotsifaki, D, Providaki, M, Bouriotis, V, Glykos, N.M, Kokkinidis, M. | Deposit date: | 2022-01-24 | Release date: | 2023-01-25 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structure of M.BseCI DNA methyltransferase from Geobacillus stearothermophilus. To Be Published
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8R9Y
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6Z3J
| Repulsive Guidance Molecule B (RGMB) in complex with Growth Differentiation Factor 5 (GDF5) (crystal form 1) | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ... | Authors: | Malinauskas, T, Peer, T.V, Bishop, B, Muller, T.D, Siebold, C. | Deposit date: | 2020-05-20 | Release date: | 2020-07-01 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Repulsive guidance molecules lock growth differentiation factor 5 in an inhibitory complex. Proc.Natl.Acad.Sci.USA, 117, 2020
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7QW8
| Adenine-specific DNA methyltransferase M.BseCI | Descriptor: | Modification methylase BseCI | Authors: | Mitsikas, D.A, Kouyianou, K, Kotsifaki, D, Providaki, M, Bouriotis, V, Glykos, N.M, Kokkinidis, M. | Deposit date: | 2022-01-24 | Release date: | 2023-01-25 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structure of M.BseCI DNA methyltransferase from Geobacillus stearothermophilus. To Be Published
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6O2R
| Deacetylated Microtubules | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Eshun-Wilson, L, Zhang, R, Portran, D, Nachury, M.V, Toso, D, Lohr, T, Vendruscolo, M, Bonomi, M, Fraser, J.S, Nogales, E. | Deposit date: | 2019-02-24 | Release date: | 2019-05-22 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Effects of alpha-tubulin acetylation on microtubule structure and stability. Proc.Natl.Acad.Sci.USA, 116, 2019
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7MHU
| Sialidase24 apo | Descriptor: | Exo-alpha-sialidase | Authors: | Rees, S.D, Chang, G.A. | Deposit date: | 2021-04-15 | Release date: | 2022-02-23 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Computational models in the service of X-ray and cryo-electron microscopy structure determination. Proteins, 89, 2021
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6QK9
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8DLE
| Crosslinked Crystal Structure of the 8-amino-7-oxonanoate synthase, BioF, and Benzene Sulfonyl Fluoride-crypto Acyl Carrier Protein, BSF-ACP | Descriptor: | 1,2-ETHANEDIOL, 8-amino-7-oxononanoate synthase, Acyl carrier protein, ... | Authors: | Chen, A, Davis, T.D, Louie, G.V, Bowman, M.E, Noel, J.P, Burkart, M.D. | Deposit date: | 2022-07-07 | Release date: | 2023-07-12 | Last modified: | 2024-07-24 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Visualizing the Interface of Biotin and Fatty Acid Biosynthesis through SuFEx Probes. J.Am.Chem.Soc., 146, 2024
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7MSO
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