7PCJ
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![BU of 7pcj by Molmil](/molmil-images/mine/7pcj) | X-ray structure of CypA-C52AK125C/CsA/aromatic foldamer complex | 分子名称: | 8-azanyl-4-(2-methylpropoxy)quinoline-2-carboxylic acid, 8-azanyl-4-(3-azanylpropoxy)quinoline-2-carboxylic acid, 8-azanyl-4-oxidanyl-quinoline-2-carboxylic acid, ... | 著者 | Vallade, M, Langlois d'Estaintot, B, Fischer, L, Buratto, J, Savko, M, Huc, I. | 登録日 | 2021-08-03 | 公開日 | 2022-07-13 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.91 Å) | 主引用文献 | X-ray structure of a cystein mutant of Cyclophilin A tethered to an aromatic oligoamide foldamer complexed with Cyclosporin A To Be Published
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4WX3
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3RT4
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![BU of 3rt4 by Molmil](/molmil-images/mine/3rt4) | Structural Basis of Recognition of Pathogen-associated Molecular Patterns and Inhibition of Proinflammatory Cytokines by Camel Peptidoglycan Recognition Protein | 分子名称: | (R)-((2R,3S,4R,5R,6R)-3-HYDROXY-2-(HYDROXYMETHYL)-5-((R)-3-HYDROXYTETRADECANAMIDO)-6-(PHOSPHONOOXY)TETRAHYDRO-2H-PYRAN-4-YL) 3-HYDROXYTETRADECANOATE, L(+)-TARTARIC ACID, Peptidoglycan recognition protein 1 | 著者 | Sharma, P, Dube, D, Singh, A, Mishra, B, Singh, N, Sinha, M, Dey, S, Kaur, P, Mitra, D.K, Sharma, S, Singh, T.P. | 登録日 | 2011-05-03 | 公開日 | 2011-06-15 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Structural Basis of Recognition of Pathogen-associated Molecular Patterns and Inhibition of Proinflammatory Cytokines by Camel Peptidoglycan Recognition Protein. J.Biol.Chem., 286, 2011
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4QSK
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![BU of 4qsk by Molmil](/molmil-images/mine/4qsk) | Crystal Structure of L. monocytogenes Pyruvate Carboxylase in complex with Cyclic-di-AMP | 分子名称: | (2R,3R,3aS,5R,7aR,9R,10R,10aS,12R,14aR)-2,9-bis(6-amino-9H-purin-9-yl)octahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8 ]tetraoxadiphosphacyclododecine-3,5,10,12-tetrol 5,12-dioxide, CITRATE ANION, MANGANESE (II) ION, ... | 著者 | Choi, P.H, Tong, L. | 登録日 | 2014-07-04 | 公開日 | 2014-10-29 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | The Cyclic Dinucleotide c-di-AMP Is an Allosteric Regulator of Metabolic Enzyme Function. Cell(Cambridge,Mass.), 158, 2014
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4QSH
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![BU of 4qsh by Molmil](/molmil-images/mine/4qsh) | Crystal Structure of L. monocytogenes Pyruvate Carboxylase in complex with Cyclic-di-AMP | 分子名称: | (2R,3R,3aS,5R,7aR,9R,10R,10aS,12R,14aR)-2,9-bis(6-amino-9H-purin-9-yl)octahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8 ]tetraoxadiphosphacyclododecine-3,5,10,12-tetrol 5,12-dioxide, CITRATE ANION, MANGANESE (II) ION, ... | 著者 | Choi, P.H, Tong, L. | 登録日 | 2014-07-04 | 公開日 | 2014-10-29 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.51 Å) | 主引用文献 | The Cyclic Dinucleotide c-di-AMP Is an Allosteric Regulator of Metabolic Enzyme Function. Cell(Cambridge,Mass.), 158, 2014
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5F1V
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![BU of 5f1v by Molmil](/molmil-images/mine/5f1v) | biomimetic design results in a potent allosteric inhibitor of dihydrodipicolinate synthase from Campylobacter jejuni | 分子名称: | (2R,5R)-2,5-diamino-2,5-bis(4-aminobutyl)hexanedioic acid, 1,2-ETHANEDIOL, 4-hydroxy-tetrahydrodipicolinate synthase, ... | 著者 | Conly, C.J.T, Palmer, D.R.J, Sanders, D.A.R. | 登録日 | 2015-11-30 | 公開日 | 2016-02-17 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Biomimetic Design Results in a Potent Allosteric Inhibitor of Dihydrodipicolinate Synthase from Campylobacter jejuni. J.Am.Chem.Soc., 138, 2016
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7T4X
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8FFI
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![BU of 8ffi by Molmil](/molmil-images/mine/8ffi) | Structure of tetramerized MapSPARTA upon guide RNA-mediated target DNA binding | 分子名称: | MAGNESIUM ION, TIR-APAZ, guide RNA, ... | 著者 | Shen, Z.F, Yang, X.Y, Fu, T.M. | 登録日 | 2022-12-08 | 公開日 | 2023-08-23 | 最終更新日 | 2023-09-20 | 実験手法 | ELECTRON MICROSCOPY (2.7 Å) | 主引用文献 | Oligomerization-mediated activation of a short prokaryotic Argonaute. Nature, 621, 2023
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6M0P
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![BU of 6m0p by Molmil](/molmil-images/mine/6m0p) | Hydroxylamine oxidoreductase in complex with juglone | 分子名称: | 5-hydroxynaphthalene-1,4-dione, Aerobic hydroxylamine oxidoreductase, DI(HYDROXYETHYL)ETHER, ... | 著者 | Fujiwara, T, Fujimoto, Z, Nishigaya, Y, Yamazaki, T. | 登録日 | 2020-02-22 | 公開日 | 2021-03-10 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.78 Å) | 主引用文献 | Juglone, a plant-derived 1,4-naphthoquinone, binds to hydroxylamine oxidoreductase and inhibits the electron transfer to cytochrome c 554. Appl.Environ.Microbiol., 89, 2023
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6VDJ
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![BU of 6vdj by Molmil](/molmil-images/mine/6vdj) | Crystal structure of ancestral apicomplexan lactate dehydrogenase with sulfate and NADH4. | 分子名称: | 1,4,5,6-TETRAHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, SULFATE ION, lactate dehydrogenase | 著者 | Theobald, D.L, Wirth, J.D, Classen, S, Perlmutter, N. | 登録日 | 2019-12-27 | 公開日 | 2020-01-29 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Mechanism of Bifunctionality in an Ancestral Apicomplexan Malate/Lactate Dehydrogenase To Be Published
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4Z3X
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![BU of 4z3x by Molmil](/molmil-images/mine/4z3x) | Active site complex BamBC of Benzoyl Coenzyme A reductase in complex with 1-Monoenoyl-CoA | 分子名称: | 1,5 Dienoyl-CoA, Benzoyl-CoA reductase, putative, ... | 著者 | Weinert, T, Kung, J.W, Weidenweber, S, Huwiler, S.G, Boll, M, Ermler, U. | 登録日 | 2015-04-01 | 公開日 | 2015-06-24 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Structural basis of enzymatic benzene ring reduction. Nat.Chem.Biol., 11, 2015
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3CU1
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![BU of 3cu1 by Molmil](/molmil-images/mine/3cu1) | Crystal Structure of 2:2:2 FGFR2D2:FGF1:SOS complex | 分子名称: | 1,3,4,6-tetra-O-sulfo-beta-D-fructofuranose-(2-1)-2,3,4,6-tetra-O-sulfonato-alpha-D-glucopyranose, Fibroblast growth factor receptor 2, Heparin-binding growth factor 1 | 著者 | Guo, F, Dakshinamurthy, R, Thallapuranam, S.K.K, Sakon, J. | 登録日 | 2008-04-15 | 公開日 | 2009-04-21 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Crystal structure of 2:2:2 FGFR2D2:FGF1:SOS complex To be Published
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6UH4
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![BU of 6uh4 by Molmil](/molmil-images/mine/6uh4) | B. theta Bile Salt Hydrolase with covalent inhibitor | 分子名称: | (5R,6R)-6-[(1S,2R,4aS,4bS,7R,8aS,10R,10aS)-7,10-dihydroxy-1,2,4b-trimethyltetradecahydrophenanthren-2-yl]-5-methylheptan-2-one, Choloylglycine hydrolase | 著者 | Seegar, T.C.M. | 登録日 | 2019-09-26 | 公開日 | 2020-02-19 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (3.51 Å) | 主引用文献 | Development of a covalent inhibitor of gut bacterial bile salt hydrolases. Nat.Chem.Biol., 16, 2020
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6VI4
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![BU of 6vi4 by Molmil](/molmil-images/mine/6vi4) | Nanobody-Enabled Monitoring of Kappa Opioid Receptor States | 分子名称: | (3R)-7-hydroxy-N-{(2S)-1-[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]-3-methylbutan-2-yl}-1,2,3,4-tetrahydroisoquinoline-3-carboxamide, CHOLESTEROL, Kappa opioid receptor, ... | 著者 | Che, T, Roth, B.L. | 登録日 | 2020-01-11 | 公開日 | 2020-03-18 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (3.3 Å) | 主引用文献 | Nanobody-enabled monitoring of kappa opioid receptor states. Nat Commun, 11, 2020
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4DY6
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![BU of 4dy6 by Molmil](/molmil-images/mine/4dy6) | Crystal structure of NAD kinase 1 from Listeria monocytogenes in complex with 2'-phosphate bis(adenosine)-5'-diphosphate | 分子名称: | CITRIC ACID, [(2R,3S,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-3,4-DIHYDROXYTETRAHYDROFURAN-2-YL]METHYL [(2R,3R,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-3-HYDROXY-4-(PHOSPHONOOXY)TETRAHYDROFURAN-2-YL]METHYL DIHYDROGEN DIPHOSPHATE, inorganic polyphosphate/ATP-NAD kinase 1 | 著者 | Poncet-Montange, G, Assairi, L, Arold, S, Pochet, S, Labesse, G. | 登録日 | 2012-02-28 | 公開日 | 2012-03-07 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | NAD kinases use substrate-assisted catalysis for specific recognition of NAD. J.Biol.Chem., 282, 2007
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3KJN
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![BU of 3kjn by Molmil](/molmil-images/mine/3kjn) | Caspase 8 bound to a covalent inhibitor | 分子名称: | (3S)-3-({[(5S)-2-{2-[(1H-benzimidazol-5-ylcarbonyl)amino]ethyl}-7-(cyclohexylmethyl)-1,3-dioxo-2,3,5,8-tetrahydro-1H-[1,2,4]triazolo[1,2-a]pyridazin-5-yl]carbonyl}amino)-4-oxopentanoic acid, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, Caspase-8 | 著者 | Kamtekar, S, Watt, W, Finzel, B.C, Harris, M.S, Blinn, J, Wang, Z, Tomasselli, A.G. | 登録日 | 2009-11-03 | 公開日 | 2010-08-11 | 最終更新日 | 2011-07-13 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Kinetic and structural characterization of caspase-3 and caspase-8 inhibition by a novel class of irreversible inhibitors. Biochim.Biophys.Acta, 1804, 2010
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6NR3
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![BU of 6nr3 by Molmil](/molmil-images/mine/6nr3) | Cryo-EM structure of the TRPM8 ion channel in complex with high occupancy icilin, PI(4,5)P2, and calcium | 分子名称: | (2S)-1-{[(R)-hydroxy{[(1R,2R,3S,4R,5R,6S)-2,3,6-trihydroxy-4,5-bis(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}-3-(octadecanoyloxy)propan-2-yl icosa-5,8,11,14-tetraenoate, CALCIUM ION, Icilin, ... | 著者 | Yin, Y, Le, S.C, Hsu, A.L, Borgnia, M.J, Yang, H, Lee, S.-Y. | 登録日 | 2019-01-22 | 公開日 | 2019-02-20 | 最終更新日 | 2019-12-18 | 実験手法 | ELECTRON MICROSCOPY (3.4 Å) | 主引用文献 | Structural basis of cooling agent and lipid sensing by the cold-activated TRPM8 channel. Science, 363, 2019
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4GYY
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![BU of 4gyy by Molmil](/molmil-images/mine/4gyy) | Crystal structure of human O-GlcNAc Transferase with UDP-5SGlcNAc and a peptide substrate | 分子名称: | (2S,3R,4R,5S,6R)-3-(acetylamino)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-thiopyran-2-yl [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate, Casein kinase II subunit alpha, SULFATE ION, ... | 著者 | Lazarus, M.B, Jiang, J, Gloster, T.M, Zandberg, W.F, Vocadlo, D.J, Walker, S. | 登録日 | 2012-09-05 | 公開日 | 2012-10-31 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Structural snapshots of the reaction coordinate for O-GlcNAc transferase. Nat.Chem.Biol., 8, 2012
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3KJQ
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![BU of 3kjq by Molmil](/molmil-images/mine/3kjq) | Caspase 8 with covalent inhibitor | 分子名称: | (3S)-3-({[(5S,8R)-2-(3-carboxypropyl)-8-(2-{[(4-chlorophenyl)acetyl]amino}ethyl)-1,3-dioxo-2,3,5,8-tetrahydro-1H-[1,2,4]triazolo[1,2-a]pyridazin-5-yl]carbonyl}amino)-4-oxopentanoic acid, Caspase-8 | 著者 | Kamtekar, S, Watt, W, Finzel, B.C, Harris, M.S, Blinn, J, Wang, Z, Tomasselli, A.G. | 登録日 | 2009-11-03 | 公開日 | 2010-08-11 | 最終更新日 | 2011-07-13 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Kinetic and structural characterization of caspase-3 and caspase-8 inhibition by a novel class of irreversible inhibitors. Biochim.Biophys.Acta, 1804, 2010
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6NR2
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![BU of 6nr2 by Molmil](/molmil-images/mine/6nr2) | Cryo-EM structure of the TRPM8 ion channel in complex with the menthol analog WS-12 and PI(4,5)P2 | 分子名称: | (1R,2S,5R)-N-(4-methoxyphenyl)-5-methyl-2-(propan-2-yl)cyclohexane-1-carboxamide, (2S)-1-{[(R)-hydroxy{[(1R,2R,3S,4R,5R,6S)-2,3,6-trihydroxy-4,5-bis(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}-3-(octadecanoyloxy)propan-2-yl icosa-5,8,11,14-tetraenoate, Transient receptor potential cation channel subfamily M member 8 | 著者 | Yin, Y, Le, S.C, Hsu, A.L, Borgnia, M.J, Yang, H, Lee, S.-Y. | 登録日 | 2019-01-22 | 公開日 | 2019-02-20 | 最終更新日 | 2019-12-18 | 実験手法 | ELECTRON MICROSCOPY (4 Å) | 主引用文献 | Structural basis of cooling agent and lipid sensing by the cold-activated TRPM8 channel. Science, 363, 2019
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7S64
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7S63
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3CA3
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![BU of 3ca3 by Molmil](/molmil-images/mine/3ca3) | Crystal structure of Sambucus Nigra Agglutinin II (SNA-II)-tetragonal crystal form- complexed to N-Acetylgalactosamine | 分子名称: | 2-acetamido-2-deoxy-alpha-D-galactopyranose, 2-acetamido-2-deoxy-beta-D-galactopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Maveyraud, L, Mourey, L. | 登録日 | 2008-02-19 | 公開日 | 2008-11-25 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | 主引用文献 | Structural basis for sugar recognition, including the Tn carcinoma antigen, by the lectin SNA-II from Sambucus nigra Proteins, 75, 2009
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4EMT
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![BU of 4emt by Molmil](/molmil-images/mine/4emt) | Crystal Structure of human STING bound to c-di-GMP | 分子名称: | 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), CALCIUM ION, Transmembrane protein 173 | 著者 | Li, P. | 登録日 | 2012-04-12 | 公開日 | 2012-06-13 | 最終更新日 | 2012-07-25 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Structure of STING bound to cyclic di-GMP reveals the mechanism of cyclic dinucleotide recognition by the immune system. Nat.Struct.Mol.Biol., 19, 2012
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5GO8
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![BU of 5go8 by Molmil](/molmil-images/mine/5go8) | Linear tetra-ubiquitin | 分子名称: | D-ubiquitin, ubiquitin | 著者 | Gao, S, Pan, M, Zheng, Y. | 登録日 | 2016-07-26 | 公開日 | 2016-11-02 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2.21 Å) | 主引用文献 | Monomer/Oligomer Quasi-Racemic Protein Crystallography J.Am.Chem.Soc., 138, 2016
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