6K31
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6BDO
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7SR8
| Molecular mechanism of the the wake-promoting agent TAK-925 | 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, Hypocretin receptor type 2, ... | Authors: | Yin, J, Chapman, K, Lian, P, De Brabander, J.K, Rosenbaum, D.M. | Deposit date: | 2021-11-08 | Release date: | 2022-06-08 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Molecular mechanism of the wake-promoting agent TAK-925. Nat Commun, 13, 2022
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8T1J
| Uncrosslinked nNOS-CaM oxygenase homodimer | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, ARGININE, Nitric oxide synthase 1, ... | Authors: | Lee, K, Pospiech, T.H, Southworth, D. | Deposit date: | 2023-06-02 | Release date: | 2023-11-29 | Last modified: | 2023-12-27 | Method: | ELECTRON MICROSCOPY (2.7 Å) | Cite: | Mapping interactions of calmodulin and neuronal NO synthase by crosslinking and mass spectrometry. J.Biol.Chem., 300, 2023
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8T1K
| DSBU crosslinked nNOS-CaM oxygenase homodimer | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, ARGININE, Nitric oxide synthase 1, ... | Authors: | Lee, K, Pospiech, T.H, Southworth, D. | Deposit date: | 2023-06-02 | Release date: | 2023-11-29 | Last modified: | 2023-12-27 | Method: | ELECTRON MICROSCOPY (3.14 Å) | Cite: | Mapping interactions of calmodulin and neuronal NO synthase by crosslinking and mass spectrometry. J.Biol.Chem., 300, 2023
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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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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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8JJS
| Human K-Ras G12D (GDP-bound) in complex with cyclic peptide inhibitor AP10343 | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, Isoform 2B of GTPase KRas, MAA-ILE-SAR-SAR-7T2-SAR-IAE-LEU-MEA-MLE-7TK, ... | Authors: | Irie, M, Fukami, T.A, Tanada, M, Ohta, A, Torizawa, T. | Deposit date: | 2023-05-31 | Release date: | 2023-07-26 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.534 Å) | Cite: | Development of Orally Bioavailable Peptides Targeting an Intracellular Protein: From a Hit to a Clinical KRAS Inhibitor. J.Am.Chem.Soc., 145, 2023
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5GSE
| Crystal structure of unusual nucleosome | Descriptor: | DNA (250-MER), Histone H2A type 1-B/E, Histone H2B type 1-J, ... | Authors: | Kato, D, Osakabe, A, Arimura, Y, Park, S.Y, Kurumizaka, H. | Deposit date: | 2016-08-16 | Release date: | 2017-05-03 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (3.14 Å) | Cite: | Crystal structure of the overlapping dinucleosome composed of hexasome and octasome Science, 356, 2017
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1JI2
| Improved X-ray Structure of Thermoactinomyces vulgaris R-47 alpha-Amylase 2 | Descriptor: | ALPHA-AMYLASE II, CALCIUM ION | Authors: | Kamitori, S, Abe, A, Ohtaki, A, Kaji, A, Tonozuka, T, Sakano, Y. | Deposit date: | 2001-06-28 | Release date: | 2002-06-05 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structures and structural comparison of Thermoactinomyces vulgaris R-47 alpha-amylase 1 (TVAI) at 1.6 A resolution and alpha-amylase 2 (TVAII) at 2.3 A resolution. J.Mol.Biol., 318, 2002
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6JZW
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6JZV
| Crystal structure of SufU from Bacillus subtilis | Descriptor: | ZINC ION, Zinc-dependent sulfurtransferase SufU | Authors: | Fujishiro, T, Takahashi, Y. | Deposit date: | 2019-05-04 | Release date: | 2020-05-06 | Last modified: | 2024-10-16 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Cysteine-Persulfide Sulfane Sulfur-Ligated Zn Complex of Sulfur-Carrying SufU in the SufCDSUB System for Fe-S Cluster Biosynthesis. Inorg.Chem., 2024
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6IO0
| Human IDH1 R132C mutant complexed with compound A. | Descriptor: | (2E)-3-{3-[3-(2,6-dichlorophenyl)-5-(propan-2-yl)-1,2-oxazole-4-carbonyl]-1-methyl-1H-indol-7-yl}prop-2-enoic acid, CITRIC ACID, GLYCEROL, ... | Authors: | Suzuki, M, Baba, D, Hanzawa, H. | Deposit date: | 2018-10-29 | Release date: | 2019-10-30 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | A Potent Blood-Brain Barrier-Permeable Mutant IDH1 Inhibitor Suppresses the Growth of Glioblastoma with IDH1 Mutation in a Patient-Derived Orthotopic Xenograft Model. Mol.Cancer Ther., 19, 2020
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7VI0
| Crystal structure of EP300 HAT domain in complex with compound 11 | Descriptor: | (4S)-N-(3H-indazol-4-yl)-3-[1-(4-methoxyphenyl)cyclopentyl]carbonyl-1,1-bis(oxidanylidene)-1,3-thiazolidine-4-carboxamide, Histone acetyltransferase p300, ZINC ION | Authors: | Takahashi, M, Hanzawa, H. | Deposit date: | 2021-09-24 | Release date: | 2022-04-27 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Discovery of EP300/CBP histone acetyltransferase inhibitors through scaffold hopping of 1,4-oxazepane ring. Bioorg.Med.Chem.Lett., 66, 2022
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7VHZ
| Crystal structure of EP300 HAT domain in complex with compound 7 | Descriptor: | (2R)-N-(2H-indazol-4-yl)-1-[1-(4-methoxyphenyl)cyclopentyl]carbonyl-pyrrolidine-2-carboxamide, Histone acetyltransferase p300, ZINC ION | Authors: | Takahashi, M, Hanzawa, H. | Deposit date: | 2021-09-24 | Release date: | 2022-04-27 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Discovery of EP300/CBP histone acetyltransferase inhibitors through scaffold hopping of 1,4-oxazepane ring. Bioorg.Med.Chem.Lett., 66, 2022
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7VHY
| Crystal structure of EP300 HAT domain in complex with compound (+)-3 | Descriptor: | Histone acetyltransferase p300, ZINC ION, [(6R)-6-(1H-indazol-4-ylmethyl)-1,4-oxazepan-4-yl]-[1-(4-methoxyphenyl)cyclopentyl]methanone | Authors: | Takahashi, M, Hanzawa, H. | Deposit date: | 2021-09-24 | Release date: | 2022-04-27 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Discovery of EP300/CBP histone acetyltransferase inhibitors through scaffold hopping of 1,4-oxazepane ring. Bioorg.Med.Chem.Lett., 66, 2022
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1J10
| beta-amylase from Bacillus cereus var. mycoides in complex with GGX | Descriptor: | Beta-amylase, CALCIUM ION, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-xylopyranose, ... | Authors: | Oyama, T, Miyake, H, Kusunoki, M, Nitta, Y. | Deposit date: | 2002-11-25 | Release date: | 2003-06-17 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal Structures of beta-Amylase from Bacillus cereus var. mycoides in Complexes with Substrate Analogs and Affinity-Labeling Reagents J.BIOCHEM.(TOKYO), 133, 2003
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1J11
| beta-amylase from Bacillus cereus var. mycoides in complex with alpha-EPG | Descriptor: | (2R)-oxiran-2-ylmethyl alpha-D-glucopyranoside, Beta-amylase, CALCIUM ION | Authors: | Oyama, T, Miyake, H, Kusunoki, M, Nitta, Y. | Deposit date: | 2002-11-25 | Release date: | 2003-06-17 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal Structures of beta-Amylase from Bacillus cereus var. mycoides in Complexes with Substrate Analogs and Affinity-Labeling Reagents J.BIOCHEM.(TOKYO), 133, 2003
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6IWG
| Crystal structure of rhesus macaque MHC class I molecule Mamu-B*05104 complexed with N-myristoylated 4-mer lipopeptide derived from SIV nef protein | Descriptor: | 1,2-ETHANEDIOL, BORIC ACID, Beta-2-microglobulin, ... | Authors: | Yamamoto, Y, Morita, D, Sugita, M. | Deposit date: | 2018-12-05 | Release date: | 2019-08-14 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Identification and Structure of an MHC Class I-Encoded Protein with the Potential to PresentN-Myristoylated 4-mer Peptides to T Cells. J Immunol., 202, 2019
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6IWH
| Crystal structure of rhesus macaque MHC class I molecule Mamu-B*05104 complexed with C14-GGGI lipopeptide | Descriptor: | 1,2-ETHANEDIOL, Beta-2-microglobulin, C14-GGGI lipopeptide, ... | Authors: | Yamamoto, Y, Morita, D, Sugita, M. | Deposit date: | 2018-12-05 | Release date: | 2019-08-14 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Identification and Structure of an MHC Class I-Encoded Protein with the Potential to PresentN-Myristoylated 4-mer Peptides to T Cells. J Immunol., 202, 2019
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5GVI
| Zebrafish USP30 in complex with Lys6-linked diubiquitin | Descriptor: | Ubiquitin carboxyl-terminal hydrolase 30, ZINC ION, ubiquitin | Authors: | Sato, Y, Fukai, S. | Deposit date: | 2016-09-05 | Release date: | 2017-09-13 | Last modified: | 2024-10-09 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | Structural basis for specific cleavage of Lys6-linked polyubiquitin chains by USP30 Nat. Struct. Mol. Biol., 24, 2017
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3E85
| Crystal Structure of Pathogenesis-related Protein LlPR-10.2B from yellow lupine in complex with Diphenylurea | Descriptor: | 1,3-DIPHENYLUREA, PR10.2B, SODIUM ION | Authors: | Fernandes, H.C, Bujacz, G, Bujacz, A, Sikorski, M.M, Jaskolski, M. | Deposit date: | 2008-08-19 | Release date: | 2009-03-03 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Cytokinin-induced structural adaptability of a Lupinus luteus PR-10 protein. Febs J., 276, 2009
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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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3IE5
| Crystal structure of Hyp-1 protein from Hypericum perforatum (St John's wort) involved in hypericin biosynthesis | Descriptor: | 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Michalska, K, Fernandes, H, Sikorski, M.M, Jaskolski, M. | Deposit date: | 2009-07-22 | Release date: | 2009-11-10 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.688 Å) | Cite: | Crystal structure of Hyp-1, a St. John's wort protein implicated in the biosynthesis of hypericin J.Struct.Biol., 169, 2010
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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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