5AYH
 
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6IOY
 | | Crystal structure of Porphyromonas gingivalis acetate kinase | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Acetate kinase, SULFATE ION | | Authors: | Kezuka, Y, Yoshida, Y, Nonaka, T. | | Deposit date: | 2018-10-31 | | Release date: | 2019-04-24 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | Characterization of the phosphotransacetylase-acetate kinase pathway for ATP production inPorphyromonas gingivalis.
J Oral Microbiol, 11, 2019
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6IOP
 | | The ligand binding domain of Mlp24 | | Descriptor: | ACETATE ION, ALANINE, CALCIUM ION, ... | | Authors: | Sumita, K, Takahashi, Y, Nishiyama, S, Kawagishi, I, Imada, K. | | Deposit date: | 2018-10-31 | | Release date: | 2019-03-20 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Calcium Ions Modulate Amino Acid Sensing of the Chemoreceptor Mlp24 ofVibrio cholerae.
J. Bacteriol., 201, 2019
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6IOX
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6IOW
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2E9M
 | | Crystal Structure of human Cytosolic Neutral beta-Glycosylceramidase (Klotho-related Prote:KLrP) complex with Galactose and fatty acids | | Descriptor: | Cytosolic beta-glucosidase, OLEIC ACID, PALMITIC ACID, ... | | Authors: | Kakuta, Y, Hayashi, Y, Okino, N, Ito, M. | | Deposit date: | 2007-01-25 | | Release date: | 2007-09-11 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Klotho-related protein is a novel cytosolic neutral beta-glycosylceramidase.
J.Biol.Chem., 282, 2007
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7XUA
 | | Structure of G9a in complex with compound 10a | | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Histone-lysine N-methyltransferase EHMT2, ... | | Authors: | Niwa, H, Shirai, F, Sato, S, Nishigaya, Y, Umehara, T. | | Deposit date: | 2022-05-18 | | Release date: | 2023-03-29 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.87 Å) | | Cite: | Discovery of Novel Substrate-Competitive Lysine Methyltransferase G9a Inhibitors as Anticancer Agents.
J.Med.Chem., 66, 2023
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7XUC
 | | Structure of G9a in complex with compound 11a | | Descriptor: | 1,2-ETHANEDIOL, 3,6,6-trimethyl-4-oxidanylidene-~{N}-[(2~{S})-1-oxidanylidene-1-phenylazanyl-hexan-2-yl]-5,7-dihydro-1~{H}-indole-2-carboxamide, CHLORIDE ION, ... | | Authors: | Niwa, H, Shirai, F, Sato, S, Nishigaya, Y, Umehara, T. | | Deposit date: | 2022-05-18 | | Release date: | 2023-03-29 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.67 Å) | | Cite: | Discovery of Novel Substrate-Competitive Lysine Methyltransferase G9a Inhibitors as Anticancer Agents.
J.Med.Chem., 66, 2023
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7XUD
 | | Structure of G9a in complex with compound 26a | | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ... | | Authors: | Niwa, H, Shirai, F, Sato, S, Nishigaya, Y, Umehara, T. | | Deposit date: | 2022-05-18 | | Release date: | 2023-03-29 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Discovery of Novel Substrate-Competitive Lysine Methyltransferase G9a Inhibitors as Anticancer Agents.
J.Med.Chem., 66, 2023
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7XUB
 | | Structure of G9a in complex with compound 10d | | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Histone-lysine N-methyltransferase EHMT2, ... | | Authors: | Niwa, H, Shirai, F, Sato, S, Nishigaya, Y, Umehara, T. | | Deposit date: | 2022-05-18 | | Release date: | 2023-03-29 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Discovery of Novel Substrate-Competitive Lysine Methyltransferase G9a Inhibitors as Anticancer Agents.
J.Med.Chem., 66, 2023
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2YGS
 | | CARD DOMAIN FROM APAF-1 | | Descriptor: | APOPTOTIC PROTEASE ACTIVATING FACTOR 1 | | Authors: | Shi, Y. | | Deposit date: | 1999-05-08 | | Release date: | 2000-04-19 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structural basis of procaspase-9 recruitment by the apoptotic protease-activating factor 1.
Nature, 399, 1999
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7XVJ
 | | Crystal structure of CdpNPT in complex with harmol | | Descriptor: | 1-methyl-9~{H}-pyrido[3,4-b]indol-7-ol, Cyclic dipeptide N-prenyltransferase, PHOSPHATE ION | | Authors: | Nakashima, Y, Morita, H. | | Deposit date: | 2022-05-24 | | Release date: | 2023-04-05 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Enzymatic formation of a prenyl beta-carboline by a fungal indole prenyltransferase.
J Nat Med, 76, 2022
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6AD9
 | | Crystal Structure of PPARgamma Ligand Binding Domain in complex with dibenzooxepine derivative compound-9 | | Descriptor: | 12-mer peptide from Peroxisome proliferator-activated receptor gamma coactivator 1-alpha, 3-[(1E)-1-{8-[(4-methyl-2-propyl-1H-benzimidazol-1-yl)methyl]dibenzo[b,e]oxepin-11(6H)-ylidene}ethyl]-1,2,4-oxadiazol-5(4H)-one, Peroxisome proliferator-activated receptor gamma | | Authors: | Takahashi, Y, Suzuki, M, Yamamoto, K, Saito, J. | | Deposit date: | 2018-07-31 | | Release date: | 2018-11-14 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Development of Dihydrodibenzooxepine Peroxisome Proliferator-Activated Receptor (PPAR) Gamma Ligands of a Novel Binding Mode as Anticancer Agents: Effective Mimicry of Chiral Structures by Olefinic E/ Z-Isomers.
J. Med. Chem., 61, 2018
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7Y3V
 | | Crystal structure of CdpNPT in complex with harmane | | Descriptor: | 1-methyl-9H-pyrido[3,4-b]indole, Cyclic dipeptide N-prenyltransferase, PHOSPHATE ION | | Authors: | Nakashima, Y, Morita, H. | | Deposit date: | 2022-06-13 | | Release date: | 2023-04-05 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.43 Å) | | Cite: | Catalytic potential of a fungal indole prenyltransferase toward beta-carbolines, harmine and harman, and their prenylation effects on antibacterial activity.
J.Biosci.Bioeng., 134, 2022
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5XSO
 | | Crystal structure of full-length FixJ from B. japonicum crystallized in space group C2221 | | Descriptor: | FORMIC ACID, GLYCEROL, Response regulator FixJ | | Authors: | Nishizono, Y, Hisano, T, Sawai, H, Shiro, Y, Nakamura, H, Wright, G.S.A, Saeki, A, Hikima, T, Yamamoto, M, Antonyuk, S.V, Hasnain, S.S. | | Deposit date: | 2017-06-14 | | Release date: | 2018-05-23 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.778 Å) | | Cite: | Architecture of the complete oxygen-sensing FixL-FixJ two-component signal transduction system.
Sci Signal, 11, 2018
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5XT2
 | | Crystal structures of full-length FixJ from B. japonicum crystallized in space group P212121 | | Descriptor: | FORMIC ACID, GLYCEROL, MAGNESIUM ION, ... | | Authors: | Nishizono, Y, Hisano, T, Shiro, Y, Sawai, H, Wright, G.S.A, Saeki, A, Hikima, T, Nakamura, H, Yamamoto, M, Antonyuk, S.V, Hasnain, S.S. | | Deposit date: | 2017-06-16 | | Release date: | 2018-05-23 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.652 Å) | | Cite: | Architecture of the complete oxygen-sensing FixL-FixJ two-component signal transduction system.
Sci Signal, 11, 2018
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7CE4
 | | Tankyrase2 catalytic domain in complex with K-476 | | Descriptor: | 5-[3-[[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]methyl]-2-oxidanylidene-4H-quinazolin-1-yl]-2-fluoranyl-benzenecarbonitrile, Poly [ADP-ribose] polymerase tankyrase-2, SULFATE ION, ... | | Authors: | Takahashi, Y, Suzuki, M, Saito, J. | | Deposit date: | 2020-06-22 | | Release date: | 2021-05-12 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | The dual pocket binding novel tankyrase inhibitor K-476 enhances the efficacy of immune checkpoint inhibitor by attracting CD8 + T cells to tumors.
Am J Cancer Res, 11, 2021
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7W6G
 | | TKS-L190G mutant from Cannabis sativa in complex with lauroyl-CoA | | Descriptor: | 3,5,7-trioxododecanoyl-CoA synthase, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | | Authors: | Nakashima, Y, Lee, Y.E, Morita, H. | | Deposit date: | 2021-12-01 | | Release date: | 2022-02-02 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Dual Engineering of Olivetolic Acid Cyclase and Tetraketide Synthase to Generate Longer Alkyl-Chain Olivetolic Acid Analogs.
Org.Lett., 24, 2022
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7W6F
 | | Polyketide cyclase OAC-F24I mutant from Cannabis sativa in complex with 6-nonylresorcylic acid | | Descriptor: | 2-nonyl-4,6-bis(oxidanyl)benzoic acid, GLYCEROL, Olivetolic acid cyclase | | Authors: | Nakashima, Y, Lee, Y.E, Morita, H. | | Deposit date: | 2021-12-01 | | Release date: | 2022-02-02 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.58 Å) | | Cite: | Dual Engineering of Olivetolic Acid Cyclase and Tetraketide Synthase to Generate Longer Alkyl-Chain Olivetolic Acid Analogs.
Org.Lett., 24, 2022
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7W6E
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7W6D
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5X79
 | | Human GST Pi conjugated with novel inhibitor, GS-ESF | | Descriptor: | (2S)-2-azanyl-5-[[(2R)-3-(2-fluorosulfonylethylsulfanyl)-1-(2-hydroxy-2-oxoethylamino)-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Glutathione S-transferase P | | Authors: | Tomoike, F, Shishido, Y, Fukui, K, Kimura, Y, Abe, H. | | Deposit date: | 2017-02-24 | | Release date: | 2017-09-13 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | A covalent G-site inhibitor for glutathione S-transferase Pi (GSTP1-1).
Chem. Commun. (Camb.), 53, 2017
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3WEB
 | | Crystal structure of a Niemann-Pick type C2 protein from Japanese carpenter ant in complex with oleic acid | | Descriptor: | Niemann-Pick type C2 protein, OLEIC ACID | | Authors: | Fujimoto, Z, Tsuchiya, W, Ishida, Y, Yamazaki, T. | | Deposit date: | 2013-07-02 | | Release date: | 2014-02-05 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Niemann-Pick type C2 protein mediating chemical communication in the worker ant
Proc.Natl.Acad.Sci.USA, 111, 2014
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3WEA
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7BMI
 | | Aspartyl/Asparaginyl beta-hydroxylase (AspH) oxygenase and TPR domains in complex with manganese, 3-fluoropyridine-2,4-dicarboxylic acid, and factor X substrate peptide fragment (39mer-4Ser) | | Descriptor: | 3-fluoranylpyridine-2,4-dicarboxylic acid, Aspartyl/asparaginyl beta-hydroxylase, Coagulation factor X, ... | | Authors: | Nakashima, Y, Brewitz, L, Schofield, C.J. | | Deposit date: | 2021-01-20 | | Release date: | 2021-06-02 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.66 Å) | | Cite: | Fluorinated derivatives of pyridine-2,4-dicarboxylate are potent inhibitors of human 2-oxoglutarate dependent oxygenases
J Fluor Chem, 247, 2021
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