6C4D
| Structure based design of RIP1 kinase inhibitors | Descriptor: | (3S)-3-(2-benzyl-3-chloro-7-oxo-2,4,5,7-tetrahydro-6H-pyrazolo[3,4-c]pyridin-6-yl)-5-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzoxazepine-8-carbonitrile, Receptor-interacting serine/threonine-protein kinase 1 | Authors: | Saikatendu, K.S, Yoshikawa, M. | Deposit date: | 2018-01-11 | Release date: | 2018-03-21 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.52 Å) | Cite: | Discovery of 7-Oxo-2,4,5,7-tetrahydro-6 H-pyrazolo[3,4- c]pyridine Derivatives as Potent, Orally Available, and Brain-Penetrating Receptor Interacting Protein 1 (RIP1) Kinase Inhibitors: Analysis of Structure-Kinetic Relationships. J. Med. Chem., 61, 2018
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8GPV
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8GPS
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6O3Z
| Crystal structure of RORgt with 3-cyano-N-(3-{[(3S)-4-(cyclopentanecarbonyl)-3-methylpiperazin-1-yl]methyl}-5-fluoro-2-methylphenyl)benzamide (compound 1) | Descriptor: | 1,2-ETHANEDIOL, 3-cyano-N-(3-{[(3S)-4-(cyclopentanecarbonyl)-3-methylpiperazin-1-yl]methyl}-5-fluoro-2-methylphenyl)benzamide, RAR-related orphan receptor C isoform a variant | Authors: | Min, X, Wang, Z. | Deposit date: | 2019-02-27 | Release date: | 2020-03-04 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Discovery of [1,2,4]Triazolo[1,5-a]pyridine Derivatives as Potent and Orally Bioavailable ROR gamma t Inverse Agonists. Acs Med.Chem.Lett., 11, 2020
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8BV3
| Bacillus subtilis DnaA domain III structure | Descriptor: | Chromosomal replication initiator protein DnaA, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | Authors: | Pintar, S, Hubbard, J.A. | Deposit date: | 2022-12-01 | Release date: | 2023-12-13 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.38 Å) | Cite: | The bacterial replication origin BUS promotes nucleobase capture. Nat Commun, 14, 2023
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8BTG
| Cryo-EM structure of the bacterial replication origin opening basal unwinding system | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Chromosomal replication initiator protein DnaA, DNA (41-MER), ... | Authors: | Pelliciari, S, Bodet-Lefevre, S, Murray, H, Ilangovan, A. | Deposit date: | 2022-11-28 | Release date: | 2024-02-14 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | The bacterial replication origin BUS promotes nucleobase capture. Nat Commun, 14, 2023
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6C3E
| CRYSTAL STRUCTURE OF RIP1 KINASE BOUND TO INHIBITOR | Descriptor: | 2-benzyl-5-nitro-1H-benzimidazole, Receptor-interacting serine/threonine-protein kinase 1 | Authors: | Saikatendu, K.S, Yoshikawa, M. | Deposit date: | 2018-01-09 | Release date: | 2018-03-21 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Discovery of 7-Oxo-2,4,5,7-tetrahydro-6 H-pyrazolo[3,4- c]pyridine Derivatives as Potent, Orally Available, and Brain-Penetrating Receptor Interacting Protein 1 (RIP1) Kinase Inhibitors: Analysis of Structure-Kinetic Relationships. J. Med. Chem., 61, 2018
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5AWG
| Crystal structure of Hg-bound SufB-SufC-SufD complex from Escherichia coli | Descriptor: | FeS cluster assembly protein SufB, FeS cluster assembly protein SufD, MERCURY (II) ION, ... | Authors: | Hirabayashi, K, Wada, K. | Deposit date: | 2015-07-03 | Release date: | 2015-11-11 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (4.278 Å) | Cite: | Functional Dynamics Revealed by the Structure of the SufBCD Complex, a Novel ATP-binding Cassette (ABC) Protein That Serves as a Scaffold for Iron-Sulfur Cluster Biogenesis J.Biol.Chem., 290, 2015
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3W69
| Crystal structure of human mdm2 with a dihydroimidazothiazole inhibitor | Descriptor: | (5R,6S)-2-[((2S,5R)-2-{[(3R)-4-acetyl-3-methylpiperazin-1-yl]carbonyl}-5-ethylpyrrolidin-1-yl)carbonyl]-5,6-bis(4-chlorophenyl)-3-isopropyl-6-methyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole, E3 ubiquitin-protein ligase Mdm2, SULFATE ION | Authors: | Shimizu, H, Katakura, S, Miyazaki, M, Naito, H, Sugimoto, Y, Kawato, H, Okayama, T, Soga, T. | Deposit date: | 2013-02-12 | Release date: | 2013-06-05 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Synthesis and evaluation of novel orally active p53-MDM2 interaction inhibitors Bioorg.Med.Chem., 21, 2013
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7SQO
| Structure of the orexin-2 receptor(OX2R) bound to TAK-925, Gi and scFv16 | Descriptor: | Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(i) subunit alpha-1, ... | Authors: | McGrath, A.P, Kang, Y, Flinspach, M. | Deposit date: | 2021-11-05 | Release date: | 2022-05-25 | Last modified: | 2022-07-06 | Method: | ELECTRON MICROSCOPY (3.17 Å) | Cite: | Molecular mechanism of the wake-promoting agent TAK-925. Nat Commun, 13, 2022
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1YNR
| Crystal structure of the cytochrome c-552 from Hydrogenobacter thermophilus at 2.0 resolution | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Cytochrome c-552, HEME C, ... | Authors: | Travaglini-Allocatelli, C, Gianni, S, Dubey, V.K, Borgia, A, Di Matteo, A, Bonivento, D, Cutruzzola, F, Bren, K.L, Brunori, M. | Deposit date: | 2005-01-25 | Release date: | 2005-05-17 | Last modified: | 2024-10-16 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | An Obligatory Intermediate in the Folding Pathway of Cytochrome c552 from Hydrogenobacter thermophilus J.Biol.Chem., 280, 2005
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3VQT
| Crystal structure analysis of the translation factor RF3 | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, Peptide chain release factor 3 | Authors: | Kihira, K, Shomura, Y, Shibata, N, Kitamura, M, Higuchi, Y. | Deposit date: | 2012-03-30 | Release date: | 2012-09-05 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structure analysis of the translation factor RF3 (release factor 3) Febs Lett., 586, 2012
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3VR1
| Crystal structure analysis of the translation factor RF3 | Descriptor: | GUANOSINE-5',3'-TETRAPHOSPHATE, Peptide chain release factor 3 | Authors: | Kihira, K, Shomura, Y, Shibata, N, Kitamura, M, Higuchi, Y. | Deposit date: | 2012-04-03 | Release date: | 2012-09-05 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Crystal structure analysis of the translation factor RF3 (release factor 3) Febs Lett., 586, 2012
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6UIN
| Role of Beta-hairpin motifs in the DNA duplex opening by the Rad4/XPC nucleotide excision repair complex | Descriptor: | DNA (5'-D(*AP*TP*TP*GP*TP*AP*GP*NP*NP*NP*NP*GP*GP*AP*TP*GP*TP*CP*GP*AP*GP*TP*CP*A)-3'), DNA (5'-D(*TP*TP*GP*AP*CP*TP*CP*(G47)P*AP*CP*AP*TP*CP*CP*CP*CP*CP*CP*CP*TP*AP*CP*AP*A)-3'), DNA repair protein RAD4, ... | Authors: | Paul, D, Min, J.-H. | Deposit date: | 2019-10-01 | Release date: | 2020-10-14 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (3.348 Å) | Cite: | Tethering-facilitated DNA 'opening' and complementary roles of beta-hairpin motifs in the Rad4/XPC DNA damage sensor protein Nucleic Acids Res., 48, 2021
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3KKQ
| Crystal structure of M-Ras P40D in complex with GDP | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Ras-related protein M-Ras | Authors: | Muraoka, S, Shima, F, Liao, J, Ijiri, Y, Matsumoto, K, Ye, M, Inoue, T, Kataoka, T. | Deposit date: | 2009-11-06 | Release date: | 2010-06-16 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Structural basis for conformational dynamics of GTP-bound Ras protein J.Biol.Chem., 285, 2010
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1UGO
| Solution structure of the first Murine BAG domain of Bcl2-associated athanogene 5 | Descriptor: | Bcl2-associated athanogene 5 | Authors: | Endoh, H, Hayashi, F, Seimiya, K, Shirouzu, M, Terada, T, Kigawa, T, Inoue, M, Yabuki, T, Aoki, M, Seki, E, Matsuda, T, Hirota, H, Yoshida, M, Tanaka, A, Osanai, T, Arakawa, T, Carninci, P, Kawai, J, Hayashizaki, Y, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2003-06-17 | Release date: | 2004-08-03 | Last modified: | 2023-12-27 | Method: | SOLUTION NMR | Cite: | The C-terminal BAG domain of BAG5 induces conformational changes of the Hsp70 nucleotide-binding domain for ADP-ATP exchange Structure, 18, 2010
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6YTU
| Atomic-resolution structure of the coiled-coil dimerisation domain of human Arc | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Activity-regulated cytoskeleton-associated protein, CHLORIDE ION | Authors: | Hallin, E.I, Touma, C, Bramham, C.R, Kursula, P. | Deposit date: | 2020-04-24 | Release date: | 2021-03-03 | Last modified: | 2021-05-12 | Method: | X-RAY DIFFRACTION (0.95 Å) | Cite: | Arc self-association and formation of virus-like capsids are mediated by an N-terminal helical coil motif. Febs J., 288, 2021
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3KKM
| Crystal structure of H-Ras T35S in complex with GppNHp | Descriptor: | GTPase HRas, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ... | Authors: | Muraoka, S, Shima, F, Liao, J, Ijiri, Y, Matsumoto, K, Ye, M, Inoue, T, Kataoka, T. | Deposit date: | 2009-11-06 | Release date: | 2010-06-16 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural basis for conformational dynamics of GTP-bound Ras protein J.Biol.Chem., 285, 2010
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3KKP
| Crystal structure of M-Ras P40D in complex with GppNHp | Descriptor: | MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, Ras-related protein M-Ras | Authors: | Muraoka, S, Shima, F, Liao, J, Ijiri, Y, Matsumoto, K, Ye, M, Inoue, T, Kataoka, T. | Deposit date: | 2009-11-06 | Release date: | 2010-06-16 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Structural basis for conformational dynamics of GTP-bound Ras protein J.Biol.Chem., 285, 2010
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4YIR
| Crystal structure of Rad4-Rad23 crosslinked to an undamaged DNA | Descriptor: | DNA (5'-D(*AP*TP*TP*GP*TP*AP*GP*CP*G*GP*GP*GP*AP*TP*GP*TP*CP*GP*AP*GP*TP*CP*A)-3'), DNA (5'-D(*TP*TP*GP*AP*CP*TP*CP*(G47)P*AP*CP*AP*TP*CP*CP*CP*CP*CP*GP*CP*TP*AP*CP*AP*A)-3'), DNA repair protein RAD4, ... | Authors: | Min, J.-H, Chen, X, Kim, Y. | Deposit date: | 2015-03-02 | Release date: | 2015-03-11 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3.0501 Å) | Cite: | Kinetic gating mechanism of DNA damage recognition by Rad4/XPC. Nat Commun, 6, 2015
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6IRZ
| Crystal structure of the zebrafish cap-specific adenosine methyltransferase bound to SAH and m7G-capped RNA | Descriptor: | 1,2-ETHANEDIOL, 7N-METHYL-8-HYDROGUANOSINE-5'-DIPHOSPHATE, PDX1 C-terminal-inhibiting factor 1, ... | Authors: | Hirano, S, Nishimasu, H, Ishitani, R, Nureki, O. | Deposit date: | 2018-11-15 | Release date: | 2018-12-05 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Cap-specific terminal N 6 -methylation of RNA by an RNA polymerase II-associated methyltransferase. Science, 363, 2019
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1FLE
| CRYSTAL STRUCTURE OF ELAFIN COMPLEXED WITH PORCINE PANCREATIC ELASTASE | Descriptor: | ELAFIN, ELASTASE | Authors: | Tsunemi, M, Matsuura, Y, Sakakibara, S, Katsube, Y. | Deposit date: | 1996-07-04 | Release date: | 1997-01-11 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structure of an elastase-specific inhibitor elafin complexed with porcine pancreatic elastase determined at 1.9 A resolution. Biochemistry, 35, 1996
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6IRV
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6IS0
| Crystal structure of the zebrafish cap-specific adenosine methyltransferase bound to SAH and m7G-capped RNA | Descriptor: | 1,2-ETHANEDIOL, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 7N-METHYL-8-HYDROGUANOSINE-5'-DIPHOSPHATE, ... | Authors: | Hirano, S, Nishimasu, H, Ishitani, R, Nureki, O. | Deposit date: | 2018-11-15 | Release date: | 2018-12-05 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Cap-specific terminal N 6 -methylation of RNA by an RNA polymerase II-associated methyltransferase. Science, 363, 2019
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6IRW
| Crystal structure of the human cap-specific adenosine methyltransferase bound to SAH | Descriptor: | Phosphorylated CTD-interacting factor 1, S-ADENOSYL-L-HOMOCYSTEINE | Authors: | Hirano, S, Nishimasu, H, Ishitani, R, Nureki, O. | Deposit date: | 2018-11-14 | Release date: | 2018-12-05 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Cap-specific terminal N 6 -methylation of RNA by an RNA polymerase II-associated methyltransferase. Science, 363, 2019
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