7YU0
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7YU2
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5Z6S
| Crystal structure of the PPARgamma-LBD complexed with compound DS-6930 | Descriptor: | 3-[[6-(3,5-dimethylpyridin-2-yl)oxy-1-methyl-benzimidazol-2-yl]methoxy]benzoic acid, CHLORIDE ION, Peptide from Peroxisome proliferator-activated receptor gamma coactivator 1-alpha, ... | Authors: | Matsui, Y, Hanzawa, H. | Deposit date: | 2018-01-25 | Release date: | 2018-10-17 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Discovery of DS-6930, a potent selective PPAR gamma modulator. Part II: Lead optimization. Bioorg. Med. Chem., 26, 2018
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1XFR
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6AGT
| Crystal structure of PfKRS complexed with chromone inhibitor | Descriptor: | COBALT (II) ION, FORMIC ACID, LYSINE, ... | Authors: | Yogavel, M, Sharma, A, Sharma, A, Baragana, B, Walpole, C. | Deposit date: | 2018-08-14 | Release date: | 2019-03-13 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.953 Å) | Cite: | Lysyl-tRNA synthetase as a drug target in malaria and cryptosporidiosis. Proc. Natl. Acad. Sci. U.S.A., 116, 2019
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3VJK
| Crystal structure of human depiptidyl peptidase IV (DPP-4) in complex with MP-513 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Dipeptidyl peptidase 4, ... | Authors: | Akahoshi, F, Kishida, H, Miyaguchi, I, Yoshida, T, Ishii, S. | Deposit date: | 2011-10-24 | Release date: | 2012-10-24 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.49 Å) | Cite: | Discovery and preclinical profile of teneligliptin (3-[(2S,4S)-4-[4-(3-methyl-1-phenyl-1H-pyrazol-5-yl)piperazin-1-yl]pyrrolidin-2-ylcarbonyl]thiazolidine): A highly potent, selective, long-lasting and orally active dipeptidyl peptidase IV inhibitor for the treatment of type 2 diabetes Bioorg.Med.Chem., 20, 2012
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5XPT
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5XPU
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6AYD
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7X7K
| Ancestral L-Lys oxidase (AncLLysO-2) L-Arg binding form | Descriptor: | ARGININE, FAD dependent enzyme, FLAVIN-ADENINE DINUCLEOTIDE | Authors: | Motoyama, T, Ishida, C, Hasebe, F, Ito, S, Nakano, S. | Deposit date: | 2022-03-09 | Release date: | 2023-01-18 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Reaction Mechanism of Ancestral l-Lys alpha-Oxidase from Caulobacter Species Studied by Biochemical, Structural, and Computational Analysis Acs Omega, 7, 2022
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7X7J
| Ancestral L-Lys oxidase (AncLLysO-2) L-Lys binding form | Descriptor: | FAD dependent enzyme, FLAVIN-ADENINE DINUCLEOTIDE, LYSINE | Authors: | Motoyama, T, Ishida, C, Hasebe, F, Ito, S, Nakano, S. | Deposit date: | 2022-03-09 | Release date: | 2023-01-18 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Reaction Mechanism of Ancestral l-Lys alpha-Oxidase from Caulobacter Species Studied by Biochemical, Structural, and Computational Analysis Acs Omega, 7, 2022
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7X7I
| Ancestral L-Lys oxidase (AncLLysO-2) ligand free form | Descriptor: | FAD dependent enzyme, FLAVIN-ADENINE DINUCLEOTIDE | Authors: | Motoyama, T, Ishida, C, Hasebe, F, Ito, S, Nakano, S. | Deposit date: | 2022-03-09 | Release date: | 2023-01-18 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Reaction Mechanism of Ancestral l-Lys alpha-Oxidase from Caulobacter Species Studied by Biochemical, Structural, and Computational Analysis Acs Omega, 7, 2022
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6LA0
| Crystal structure of AoRut | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Glycoside hydrolase family 5 | Authors: | Koseki, T, Makabe, K. | Deposit date: | 2019-11-11 | Release date: | 2020-11-11 | Last modified: | 2024-10-16 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Aspergillus oryzae Rutinosidase: Biochemical and Structural Investigation. Appl.Environ.Microbiol., 87, 2021
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6IMX
| Crystal structure of V30M mutated transthyretin in complex with 18-Crown-6 | Descriptor: | 1,4,7,10,13,16-HEXAOXACYCLOOCTADECANE, Transthyretin | Authors: | Yokoyama, T, Kosaka, Y, Matsumoto, K, Kitakami, R, Nabeshima, Y, Mizuguchi, M. | Deposit date: | 2018-10-24 | Release date: | 2019-03-13 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.602 Å) | Cite: | Crown Ethers as Transthyretin Amyloidogenesis Inhibitors. J. Med. Chem., 62, 2019
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6LXU
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7XTX
| High resolution crystal structure of human macrophage migration inhibitory factor in complex with methotrexate | Descriptor: | 1,2-ETHANEDIOL, ISOPROPYL ALCOHOL, Macrophage migration inhibitory factor, ... | Authors: | Sugishima, K, Noguchi, K, Yohda, M, Odaka, M, Matsumura, H. | Deposit date: | 2022-05-18 | Release date: | 2023-05-24 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.28 Å) | Cite: | Identification of methotrexate as an inhibitor of macrophage migration inhibitory factor by high-resolution crystal structure analysis To Be Published
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8II1
| Crystal structure of V30M-TTR in complex with BID | Descriptor: | Benziodarone, Transthyretin | Authors: | Yokoyama, T. | Deposit date: | 2023-02-24 | Release date: | 2023-06-28 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.907 Å) | Cite: | Benziodarone and 6-hydroxybenziodarone are potent and selective inhibitors of transthyretin amyloidogenesis. Bioorg.Med.Chem., 90, 2023
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8II4
| Crystal structure of V30M-TTR in complex with 6-hydroxy BBM | Descriptor: | Transthyretin, [3,5-bis(bromanyl)-4-oxidanyl-phenyl]-(2-ethyl-6-oxidanyl-1-benzofuran-3-yl)methanone | Authors: | Yokoyama, T. | Deposit date: | 2023-02-24 | Release date: | 2023-06-28 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.499 Å) | Cite: | Benziodarone and 6-hydroxybenziodarone are potent and selective inhibitors of transthyretin amyloidogenesis. Bioorg.Med.Chem., 90, 2023
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8II2
| Crystal structure of V30M-TTR in complex with BBM | Descriptor: | CALCIUM ION, Transthyretin, [3,5-bis(bromanyl)-4-oxidanyl-phenyl]-(2-ethyl-1-benzofuran-3-yl)methanone | Authors: | Yokoyama, T. | Deposit date: | 2023-02-24 | Release date: | 2023-06-28 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.798 Å) | Cite: | Benziodarone and 6-hydroxybenziodarone are potent and selective inhibitors of transthyretin amyloidogenesis. Bioorg.Med.Chem., 90, 2023
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8II3
| Crystal structure of V30M-TTR in complex with 6-hydroxy BID | Descriptor: | Transthyretin, [3,5-bis(iodanyl)-4-oxidanyl-phenyl]-(2-ethyl-6-oxidanyl-1-benzofuran-3-yl)methanone | Authors: | Yokoyama, T. | Deposit date: | 2023-02-24 | Release date: | 2023-06-28 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.399 Å) | Cite: | Benziodarone and 6-hydroxybenziodarone are potent and selective inhibitors of transthyretin amyloidogenesis. Bioorg.Med.Chem., 90, 2023
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6IMY
| Crystal structure of V30M mutated transthyretin in complex with 4'-caroboxybenzo-18-Crown-6 | Descriptor: | 2,3,5,6,8,9,11,12,14,15-decahydro-1,4,7,10,13,16-benzohexaoxacyclooctadecine-18-carboxylic acid, Transthyretin | Authors: | Yokoyama, T, Kosaka, Y, Matsumoto, K, Kitakami, R, Nabeshima, Y, Mizuguchi, M. | Deposit date: | 2018-10-24 | Release date: | 2019-03-13 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.501 Å) | Cite: | Crown Ethers as Transthyretin Amyloidogenesis Inhibitors. J. Med. Chem., 62, 2019
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6D3E
| PPARg LBD in Complex with SR1988 | Descriptor: | 1-[(2,4-difluorophenyl)methyl]-2,3-dimethyl-N-[(1R)-1-phenylpropyl]-1H-indole-5-carboxamide, Peroxisome proliferator-activated receptor gamma | Authors: | Frkic, R.L, Bruning, J.B. | Deposit date: | 2018-04-15 | Release date: | 2019-02-27 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.395 Å) | Cite: | Structural and Dynamic Elucidation of a Non-acid PPARgammaPartial Agonist: SR1988. Nucl Receptor Res, 5, 2018
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6N5B
| Broadly protective antibodies directed to a subdominant influenza hemagglutinin epitope | Descriptor: | 2-acetamido-2-deoxy-beta-D-galactopyranose, Hemagglutinin, antibody heavy chain, ... | Authors: | Bajic, G, Maron, M.J, Schmidt, A.G. | Deposit date: | 2018-11-21 | Release date: | 2019-06-05 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Influenza Antigen Engineering Focuses Immune Responses to a Subdominant but Broadly Protective Viral Epitope. Cell Host Microbe, 25, 2019
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6NA5
| Crystal Structure of ECR in complex with NADP+ | Descriptor: | NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Putative crotonyl-CoA reductase | Authors: | DeMirci, H. | Deposit date: | 2018-12-05 | Release date: | 2019-12-11 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Intersubunit Coupling Enables Fast CO2-Fixation by Reductive Carboxylases Acs Cent.Sci., 2022
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3K1E
| Crystal structure of odorant binding protein 1 (AaegOBP1) from Aedes aegypti | Descriptor: | 2,5,8,11,14,17,20,23,26,29,32,35,38,41,44,47,50,53,56,59,62,65,68,71,74,77,80-HEPTACOSAOXADOOCTACONTAN-82-OL, CHLORIDE ION, MAGNESIUM ION, ... | Authors: | Leite, N.R, Krogh, R, Leal, W.S, Iulek, J, Oliva, G. | Deposit date: | 2009-09-27 | Release date: | 2009-12-08 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structure of an odorant-binding protein from the mosquito Aedes aegypti suggests a binding pocket covered by a pH-sensitive "Lid". Plos One, 4, 2009
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