8PFK
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![BU of 8pfk by Molmil](/molmil-images/mine/8pfk) | RNA structure with 1-methylpseudoridine, C2 space group | 分子名称: | MAGNESIUM ION, RNA (12-mer) | 著者 | Spingler, B, McAuley, K, Nievergelt, P, Thorn, A. | 登録日 | 2023-06-16 | 公開日 | 2024-01-31 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.321 Å) | 主引用文献 | RNA oligomers at atomic resolution containing 1-methylpseudouridine, an essential building block of mRNA vaccines. Chemmedchem, 19, 2024
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8PFQ
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![BU of 8pfq by Molmil](/molmil-images/mine/8pfq) | RNA structure with 1-methylpseudoridine, P1 space group | 分子名称: | Chains: A,B, MAGNESIUM ION | 著者 | Spingler, B, McAuley, K, Nievergelt, P, Thorn, A. | 登録日 | 2023-06-16 | 公開日 | 2024-01-31 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.01 Å) | 主引用文献 | RNA oligomers at atomic resolution containing 1-methylpseudouridine, an essential building block of mRNA vaccines. Chemmedchem, 19, 2024
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2IGY
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![BU of 2igy by Molmil](/molmil-images/mine/2igy) | Achiral, Cheap and Potent Inhibitors of Plasmepsins II | 分子名称: | N-[1-(3-METHYLBUTYL)PIPERIDIN-4-YL]-N-{4-[METHYL(PYRIDIN-4-YL)AMINO]BENZYL}-4-PENTYLBENZAMIDE, Plasmepsin-2 | 著者 | Prade, L. | 登録日 | 2006-09-25 | 公開日 | 2006-11-28 | 最終更新日 | 2011-07-13 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Achiral, Cheap, and Potent Inhibitors of Plasmepsins I, II, and IV. Chemmedchem, 1, 2006
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7QEI
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![BU of 7qei by Molmil](/molmil-images/mine/7qei) | Structure of human MTHFD2L in complex with TH7299 | 分子名称: | (2S)-2-[[4-[[2,4-bis(azanyl)-6-oxidanylidene-1H-pyrimidin-5-yl]carbamoylamino]phenyl]carbonylamino]pentanedioic acid, 2'-MONOPHOSPHOADENOSINE-5'-DIPHOSPHATE, Probable bifunctional methylenetetrahydrofolate dehydrogenase/cyclohydrolase 2 | 著者 | Gustafsson, R, Scaletti, E.R, Stenmark, P. | 登録日 | 2021-12-03 | 公開日 | 2022-10-12 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | The First Structure of Human MTHFD2L and Its Implications for the Development of Isoform-Selective Inhibitors. Chemmedchem, 17, 2022
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2XDA
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![BU of 2xda by Molmil](/molmil-images/mine/2xda) | STRUCTURE OF HELICOBACTER PYLORI TYPE II DEHYDROQUINASE IN COMPLEX WITH INHIBITOR COMPOUND (4R,6R,7S)-2-(2-Cyclopropyl)ethyl-4,6,7- trihydroxy-4,5,6,7-tetrahydrobenzo(b)thiophene-4-carboxylic acid | 分子名称: | (4R,6R,7S)-2-(2-CYCLOPROPYLETHYL)-4,6,7-TRIHYDROXY-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-4-CARBOXYLIC ACID, 3-DEHYDROQUINATE DEHYDRATASE | 著者 | Paz, S, Tizon, L, Otero, J.M, Llamas-Saiz, A.L, Fox, G.C, van Raaij, M.J, Lamb, H, Hawkins, A.R, Castedo, L, Gonzalez-Bello, C. | 登録日 | 2010-04-30 | 公開日 | 2010-11-24 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Tetrahydrobenzothiophene derivatives: conformationally restricted inhibitors of type II dehydroquinase. ChemMedChem, 6, 2011
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2XD9
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![BU of 2xd9 by Molmil](/molmil-images/mine/2xd9) | STRUCTURE OF HELICOBACTER PYLORI TYPE II DEHYDROQUINASE IN COMPLEX WITH INHIBITOR COMPOUND (4R,6R,7S)-4,6,7-Trihydroxy-2-((E)-prop-1- enyl)-4,5,6,7-tetrahydrobenzo(b)thiophene-4-carboxylic acid | 分子名称: | (4R,6R,7S)-4,6,7-TRIHYDROXY-2-[(1E)-PROP-1-EN-1-YL]-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-4-CARBOXYLIC ACID, 3-DEHYDROQUINATE DEHYDRATASE | 著者 | Paz, S, Tizon, L, Otero, J.M, Llamas-Saiz, A.L, Fox, G.C, van Raaij, M.J, Lamb, H, Hawkins, A.R, Lapthorn, A.J, Castedo, L, Gonzalez-Bello, C. | 登録日 | 2010-04-30 | 公開日 | 2010-11-24 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Tetrahydrobenzothiophene derivatives: conformationally restricted inhibitors of type II dehydroquinase. ChemMedChem, 6, 2011
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2XB9
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![BU of 2xb9 by Molmil](/molmil-images/mine/2xb9) | Structure of Helicobacter pylori type II dehydroquinase in complex with inhibitor compound (2R)-2-(4-methoxybenzyl)-3-dehydroquinic acid | 分子名称: | (1R,2R,4S,5R)-1,4,5-TRIHYDROXY-2-(4-METHOXYBENZYL)-3-OXOCYCLOHEXANECARBOXYLIC ACID, 3-DEHYDROQUINATE DEHYDRATASE, CITRIC ACID | 著者 | Otero, J.M, Tizon, L, Llamas-Saiz, A.L, Fox, G.C, Gonzalez-Bello, C, van Raaij, M.J. | 登録日 | 2010-04-08 | 公開日 | 2010-09-15 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.75 Å) | 主引用文献 | Understanding the Key Factors that Control the Inhibition of Type II Dehydroquinase by (2R)-2- Benzyl-3-Dehydroquinic Acids. Chemmedchem, 5, 2010
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6Q7U
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![BU of 6q7u by Molmil](/molmil-images/mine/6q7u) | |
7OV3
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![BU of 7ov3 by Molmil](/molmil-images/mine/7ov3) | Crystal structure of pig purple acid phosphatase in complex with Maybridge fragment CC063346, dimethyl sulfoxide and citrate | 分子名称: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Feder, D, McGeary, R.P, Guddat, L.W, Schenk, G. | 登録日 | 2021-06-14 | 公開日 | 2022-01-12 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Rational Design of Potent Inhibitors of a Metallohydrolase Using a Fragment-Based Approach. Chemmedchem, 16, 2021
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7OV2
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![BU of 7ov2 by Molmil](/molmil-images/mine/7ov2) | Crystal structure of pig purple acid phosphatase in complex with L-glutamine, (poly)ethylene glycol fragments and glycerol | 分子名称: | 1,2-ETHANEDIOL, CITRIC ACID, FE (III) ION, ... | 著者 | Feder, D, McGeary, R.P, Guddat, L.W, Schenk, G. | 登録日 | 2021-06-14 | 公開日 | 2022-01-12 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Rational Design of Potent Inhibitors of a Metallohydrolase Using a Fragment-Based Approach. Chemmedchem, 16, 2021
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8CAA
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![BU of 8caa by Molmil](/molmil-images/mine/8caa) | Crystal structure of TEAD4 in complex with YTP-13 | 分子名称: | (2~{R})-2-[2-chloranyl-5-[2-chloranyl-4-(trifluoromethyl)phenoxy]phenyl]sulfanylpropanoic acid, 4-[bis(fluoranyl)methoxy]-2-[(2~{S})-5-chloranyl-6-fluoranyl-2-[[(4-oxidanylcyclohexyl)amino]methyl]-2-phenyl-3~{H}-1-benzofuran-4-yl]-3-fluoranyl-benzamide, PHOSPHATE ION, ... | 著者 | Scheufler, C, Kallen, J. | 登録日 | 2023-01-24 | 公開日 | 2023-04-12 | 最終更新日 | 2024-06-19 | 実験手法 | X-RAY DIFFRACTION (1.999 Å) | 主引用文献 | Optimization of a Class of Dihydrobenzofurane Analogs toward Orally Efficacious YAP-TEAD Protein-Protein Interaction Inhibitors. Chemmedchem, 18, 2023
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6Q7W
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7OV8
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![BU of 7ov8 by Molmil](/molmil-images/mine/7ov8) | Crystal structure of pig purple acid phosphatase in complex with 4-(2-hydroxyethyl)-1-piperazineethanesulfonic acid (HEPES) and glycerol | 分子名称: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | 著者 | Feder, D, McGeary, R.P, Guddat, L.W, Schenk, G. | 登録日 | 2021-06-14 | 公開日 | 2022-03-23 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Rational Design of Potent Inhibitors of a Metallohydrolase Using a Fragment-Based Approach. Chemmedchem, 16, 2021
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6Q7V
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7BX2
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![BU of 7bx2 by Molmil](/molmil-images/mine/7bx2) | |
7M59
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![BU of 7m59 by Molmil](/molmil-images/mine/7m59) | |
7M58
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2HM8
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![BU of 2hm8 by Molmil](/molmil-images/mine/2hm8) | Solution Structure of the C-terminal MA-3 domain of Pdcd4 | 分子名称: | Pdcd4 C-terminal MA-3 domain | 著者 | Waters, L.C, Veverka, V, Bohm, M, Muskett, F.W, Choong, P.T, Klempnauer, K.H, Carr, M.D. | 登録日 | 2006-07-11 | 公開日 | 2007-02-20 | 最終更新日 | 2024-05-29 | 実験手法 | SOLUTION NMR | 主引用文献 | Structure of the C-terminal MA-3 domain of the tumour suppressor protein Pdcd4 and characterization of its interaction with eIF4A Oncogene, 26, 2007
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7V6D
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![BU of 7v6d by Molmil](/molmil-images/mine/7v6d) | Structure of lipase B from Lasiodiplodia theobromae | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Lipase B | 著者 | Xue, B, Zhang, H.F, Nguyen, G.K.T, Yew, W.S. | 登録日 | 2021-08-20 | 公開日 | 2021-10-13 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | A Novel Lipase from Lasiodiplodia theobromae Efficiently Hydrolyses C8-C10 Methyl Esters for the Preparation of Medium-Chain Triglycerides' Precursors. Int J Mol Sci, 22, 2021
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6U7O
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![BU of 6u7o by Molmil](/molmil-images/mine/6u7o) | HIV-1 wild type protease with GRL-00819A, with phenyl-boronic-acid as P2'-ligand and with a 6-5-5-ring fused crown-like tetrahydropyranofuran as the P2-ligand | 分子名称: | CHLORIDE ION, FORMIC ACID, GLYCEROL, ... | 著者 | Wang, Y.-F, Kneller, D.W, Weber, I.T. | 登録日 | 2019-09-03 | 公開日 | 2019-10-09 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.33 Å) | 主引用文献 | Potent HIV-1 Protease Inhibitors Containing Carboxylic and Boronic Acids: Effect on Enzyme Inhibition and Antiviral Activity and Protein-Ligand X-ray Structural Studies. Chemmedchem, 14, 2019
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6U7P
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![BU of 6u7p by Molmil](/molmil-images/mine/6u7p) | HIV-1 wild type protease with GRL-03119A, with phenyl-boronic-acid as P2'-ligand and with a hexahydro-4H-furo-pyran as the P2-ligand | 分子名称: | CHLORIDE ION, FORMIC ACID, GLYCEROL, ... | 著者 | Wang, Y.-F, Kneller, D.W, Weber, I.T. | 登録日 | 2019-09-03 | 公開日 | 2019-10-09 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.13 Å) | 主引用文献 | Potent HIV-1 Protease Inhibitors Containing Carboxylic and Boronic Acids: Effect on Enzyme Inhibition and Antiviral Activity and Protein-Ligand X-ray Structural Studies. Chemmedchem, 14, 2019
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6GXU
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![BU of 6gxu by Molmil](/molmil-images/mine/6gxu) | Crystal structure of Schistosoma mansoni HDAC8 complexed with an hydroxamate 3 | 分子名称: | (~{E})-3-[2-(4-chlorophenyl)sulfanylphenyl]-~{N}-oxidanyl-prop-2-enamide, DIMETHYLFORMAMIDE, GLYCEROL, ... | 著者 | Shaik, T.B, Marek, M, Romier, C. | 登録日 | 2018-06-27 | 公開日 | 2018-08-15 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.917 Å) | 主引用文献 | Synthesis, Crystallization Studies, and in vitro Characterization of Cinnamic Acid Derivatives as SmHDAC8 Inhibitors for the Treatment of Schistosomiasis. ChemMedChem, 13, 2018
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3FEI
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![BU of 3fei by Molmil](/molmil-images/mine/3fei) | Design and biological evaluation of novel, balanced dual PPARa/g agonists | 分子名称: | (2S)-3-(4-{[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methoxy}-2-methylphenyl)-2-ethoxypropanoic acid, Peptide motif 5 of Nuclear receptor coactivator 1, Peroxisome proliferator-activated receptor alpha | 著者 | Benz, J, Grether, U, Gsell, B, Binggeli, A, Hilpert, H, Maerki, H.P, Mohr, P, Ruf, A, Stihle, M, Schlatter, D. | 登録日 | 2008-11-30 | 公開日 | 2009-10-20 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Design and biological evaluation of novel, balanced dual PPARalpha/gamma agonists Chemmedchem, 4, 2009
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6GXA
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![BU of 6gxa by Molmil](/molmil-images/mine/6gxa) | Crystal structure of Schistosoma mansoni HDAC8 complexed with an hydroxamate 2 | 分子名称: | (~{E})-3-(2-chlorophenyl)-~{N}-oxidanyl-prop-2-enamide, DIMETHYLFORMAMIDE, GLYCEROL, ... | 著者 | Shaik, T.B, Marek, M, Romier, C. | 登録日 | 2018-06-27 | 公開日 | 2018-08-15 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Synthesis, Crystallization Studies, and in vitro Characterization of Cinnamic Acid Derivatives as SmHDAC8 Inhibitors for the Treatment of Schistosomiasis. ChemMedChem, 13, 2018
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5EM2
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![BU of 5em2 by Molmil](/molmil-images/mine/5em2) | Crystal structure of the Erb1-Ytm1 complex | 分子名称: | 1,2-ETHANEDIOL, MAGNESIUM ION, Ribosome biogenesis protein ERB1, ... | 著者 | Ahmed, Y.L, Sinning, I. | 登録日 | 2015-11-05 | 公開日 | 2015-12-23 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.67 Å) | 主引用文献 | Concerted removal of the Erb1-Ytm1 complex in ribosome biogenesis relies on an elaborate interface. Nucleic Acids Res., 44, 2016
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