7X12
 
 | | Crystal structure of ME1 in complex with NADPH | | 分子名称: | MANGANESE (II) ION, NADP-dependent malic enzyme, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | 著者 | Amano, Y. | | 登録日 | 2022-02-22 | | 公開日 | 2022-07-20 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.07 Å) | | 主引用文献 | Discovery and Characterization of a Novel Allosteric Small-Molecule Inhibitor of NADP + -Dependent Malic Enzyme 1.
Biochemistry, 61, 2022
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7X11
 | | Crystal structure of ME1 in complex with NADPH | | 分子名称: | 6-[(7-methyl-2-propyl-imidazo[4,5-b]pyridin-4-yl)methyl]-2-[2-(1H-1,2,3,4-tetrazol-5-yl)phenyl]-1,3-benzothiazole, MANGANESE (II) ION, NADP-dependent malic enzyme, ... | | 著者 | Amano, Y. | | 登録日 | 2022-02-22 | | 公開日 | 2022-07-20 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.07 Å) | | 主引用文献 | Discovery and Characterization of a Novel Allosteric Small-Molecule Inhibitor of NADP + -Dependent Malic Enzyme 1.
Biochemistry, 61, 2022
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7FGL
 | | The complex structure of PHF core domain peptide of tau, VQIVYK, and antibody's Fab domain. | | 分子名称: | AMMONIUM ION, Fab Heavy Chain, Fab Light Chain, ... | | 著者 | Tsuchida, T, Tsuchiya, T, Miyamoto, K, In, Y, Minoura, K, Taniguchi, T, Ishida, T, Tomoo, K. | | 登録日 | 2021-07-27 | | 公開日 | 2022-07-27 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | The cross-reaction complex structure with VQIVYK of tau and the antibody's Fab domain.
To Be Published
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2D3Q
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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) | | 分子名称: | 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 | | 著者 | Min, X, Wang, Z. | | 登録日 | 2019-02-27 | | 公開日 | 2020-03-04 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | 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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4U72
 | | Crystal structure of 4-phenylimidazole bound form of human indoleamine 2,3-dioxygenase (A260G mutant) | | 分子名称: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, 4-PHENYL-1H-IMIDAZOLE, Indoleamine 2,3-dioxygenase 1, ... | | 著者 | Sugimoto, H, Horitani, M, Kometani, E, Shiro, Y. | | 登録日 | 2014-07-30 | | 公開日 | 2015-09-02 | | 最終更新日 | 2020-01-29 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Conformation and Mobility of Active Site Loop is Critical for Substrate Binding and Inhibition in Human Indoleamine 2,3-Dioxygenase
to be published
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1RRP
 | | STRUCTURE OF THE RAN-GPPNHP-RANBD1 COMPLEX | | 分子名称: | MAGNESIUM ION, NUCLEAR PORE COMPLEX PROTEIN NUP358, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ... | | 著者 | Vetter, I.R, Nowak, C, Nishimoto, T, Kuhlmann, J, Wittinghofer, A. | | 登録日 | 1999-01-15 | | 公開日 | 1999-05-18 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (2.96 Å) | | 主引用文献 | Structure of a Ran-binding domain complexed with Ran bound to a GTP analogue: implications for nuclear transport.
Nature, 398, 1999
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5X2L
 | | Crystal Structure of Human Serine Racemase | | 分子名称: | MAGNESIUM ION, PYRIDOXAL-5'-PHOSPHATE, Serine racemase | | 著者 | Obita, T, Matsumoto, K, Mori, H, Toyooka, N, Mizuguchi, M. | | 登録日 | 2017-02-01 | | 公開日 | 2018-01-31 | | 最終更新日 | 2021-02-24 | | 実験手法 | X-RAY DIFFRACTION (1.806 Å) | | 主引用文献 | Design, synthesis, and evaluation of novel inhibitors for wild-type human serine racemase.
Bioorg. Med. Chem. Lett., 2017
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8HTA
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1EQ3
 | | NMR STRUCTURE OF HUMAN PARVULIN HPAR14 | | 分子名称: | PEPTIDYL-PROLYL CIS/TRANS ISOMERASE (PPIASE) | | 著者 | Sekerina, E, Rahfeld, U.J, Muller, J, Fischer, G, Bayer, P. | | 登録日 | 2000-04-02 | | 公開日 | 2001-04-04 | | 最終更新日 | 2024-05-22 | | 実験手法 | SOLUTION NMR | | 主引用文献 | NMR solution structure of hPar14 reveals similarity to the peptidyl prolyl cis/trans isomerase domain of the mitotic regulator hPin1 but indicates a different functionality of the protein.
J.Mol.Biol., 301, 2000
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2MK4
 | | Solution structure of ORF2 | | 分子名称: | Open reading frame 2 | | 著者 | Miyakawa, T, Kobayashi, H, Tashiro, M, Yamanaka, H, Tanokura, M. | | 登録日 | 2014-01-24 | | 公開日 | 2015-03-25 | | 最終更新日 | 2024-05-15 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Structural Basis for Action of the External Chaperone for a Propeptide-deficient Serine Protease from Aeromonas sobria.
J.Biol.Chem., 290, 2015
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4X68
 | | Crystal Structure of OP0595 complexed with AmpC | | 分子名称: | (2S,5R)-N-(2-aminoethoxy)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, Beta-lactamase, NICKEL (II) ION | | 著者 | Yamada, M, Watanabe, T. | | 登録日 | 2014-12-07 | | 公開日 | 2015-07-01 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (1.68 Å) | | 主引用文献 | OP0595, a new diazabicyclooctane: mode of action as a serine beta-lactamase inhibitor, antibiotic and beta-lactam 'enhancer'
J.Antimicrob.Chemother., 70, 2015
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4X69
 | | Crystal structure of OP0595 complexed with CTX-M-44 | | 分子名称: | (2S,5R)-N-(2-aminoethoxy)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, 1,2-ETHANEDIOL, Beta-lactamase Toho-1 | | 著者 | Yamada, M, Watanabe, T. | | 登録日 | 2014-12-07 | | 公開日 | 2015-07-01 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (1.42 Å) | | 主引用文献 | OP0595, a new diazabicyclooctane: mode of action as a serine beta-lactamase inhibitor, antibiotic and beta-lactam 'enhancer'
J.Antimicrob.Chemother., 70, 2015
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2YVJ
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2YVF
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2YVG
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7JTW
 | | Crystal structure of RORgt with compound (4R)-6-[(2,5-dichloro-3-{[(2R,4R)-1-(cyclopentanecarbonyl)-2-methylpiperidin-4-yl]oxy}phenyl)amino]-6-oxo-4-phenylhexanoic acid | | 分子名称: | (4R)-6-[(2,5-dichloro-3-{[(2R,4R)-1-(cyclopentanecarbonyl)-2-methylpiperidin-4-yl]oxy}phenyl)amino]-6-oxo-4-phenylhexanoic acid, GLYCEROL, RAR-related orphan receptor C isoform a variant, ... | | 著者 | Min, X, Wang, Z. | | 登録日 | 2020-08-18 | | 公開日 | 2021-02-03 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Discovery of 6-Oxo-4-phenyl-hexanoic acid derivatives as ROR gamma t inverse agonists showing favorable ADME profile.
Bioorg.Med.Chem.Lett., 36, 2021
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7COQ
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4U74
 | | Crystal structure of 4-phenylimidazole bound form of human indoleamine 2,3-dioxygenase (G262A mutant) | | 分子名称: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, 4-PHENYL-1H-IMIDAZOLE, Indoleamine 2,3-dioxygenase 1, ... | | 著者 | Sugimoto, H, Horitani, M, Kometani, E, Shiro, Y. | | 登録日 | 2014-07-30 | | 公開日 | 2015-09-02 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.31 Å) | | 主引用文献 | Conformation and Mobility of Active Site Loop is Critical for Substrate Binding and Inhibition in Human Indoleamine 2,3-Dioxygenase
to be published
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7YV1
 | | Human K-Ras G12D (GDP-bound) in complex with cyclic peptide inhibitor LUNA18 and KA30L Fab | | 分子名称: | GUANOSINE-5'-DIPHOSPHATE, Isoform 2B of GTPase KRas, KA30L Fab H-chain, ... | | 著者 | Irie, M, Fukami, T.A, Matsuo, A, Saka, K, Nishimura, M, Saito, H, Torizawa, T, Tanada, M, Ohta, A. | | 登録日 | 2022-08-18 | | 公開日 | 2023-07-26 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.454 Å) | | 主引用文献 | Validation of a New Methodology to Create Oral Drugs beyond the Rule of 5 for Intracellular Tough Targets.
J.Am.Chem.Soc., 145, 2023
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7YUZ
 | | Human K-Ras G12D (GDP-bound) in complex with cyclic peptide inhibitor AP8784 | | 分子名称: | AP8784, GUANOSINE-5'-DIPHOSPHATE, IODIDE ION, ... | | 著者 | Irie, M, Fukami, T.A, Tanada, M, Ohta, A, Torizawa, T. | | 登録日 | 2022-08-18 | | 公開日 | 2023-07-26 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.878 Å) | | 主引用文献 | Validation of a New Methodology to Create Oral Drugs beyond the Rule of 5 for Intracellular Tough Targets.
J.Am.Chem.Soc., 145, 2023
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8GSY
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8GSX
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8K9O
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5Z5C
 | | Crystal structure of hydrogen sulfide-producing enzyme (Fn1055) from Fusobacterium nucleatum: lysine-dimethylated form | | 分子名称: | CHLORIDE ION, Cysteine synthase, PYRIDOXAL-5'-PHOSPHATE | | 著者 | Kezuka, Y, Yoshida, Y, Nonaka, T. | | 登録日 | 2018-01-17 | | 公開日 | 2018-02-14 | | 最終更新日 | 2018-03-07 | | 実験手法 | X-RAY DIFFRACTION (2.07 Å) | | 主引用文献 | Structural insights into the catalytic mechanism of cysteine (hydroxyl) lyase from the hydrogen sulfide-producing oral pathogen,
Biochem. J., 475, 2018
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