8PQN
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![BU of 8pqn by Molmil](/molmil-images/mine/8pqn) | NQO1 bound to RBS-10 | 分子名称: | FLAVIN-ADENINE DINUCLEOTIDE, NAD(P)H dehydrogenase [quinone] 1, ~{N}-[4-[(3-methylphenyl)carbonylamino]phenyl]-5-nitro-furan-2-carboxamide | 著者 | Pous, J, Jose-Duran, F, Mayor-Ruiz, C, Riera, A. | 登録日 | 2023-07-11 | 公開日 | 2024-01-10 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (3.8 Å) | 主引用文献 | Discovery and Mechanistic Elucidation of NQO1-Bioactivatable Small Molecules That Overcome Resistance to Degraders. Angew.Chem.Int.Ed.Engl., 63, 2024
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8Q4K
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8Q7Y
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3WEO
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![BU of 3weo by Molmil](/molmil-images/mine/3weo) | Sugar beet alpha-glucosidase with acarviosyl-maltohexaose | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, ... | 著者 | Tagami, T, Yamashita, K, Okuyama, M, Mori, H, Yao, M, Kimura, A. | 登録日 | 2013-07-09 | 公開日 | 2014-07-16 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | 主引用文献 | Structural advantage of sugar beet alpha-glucosidase to stabilize the Michaelis complex with long-chain substrate J.Biol.Chem., 290, 2014
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8PTE
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![BU of 8pte by Molmil](/molmil-images/mine/8pte) | Polyoxidovanadate interaction with proteins: crystal structure of lysozyme bound to octadecavanadate ion (structure B) | 分子名称: | Lysozyme C, NITRATE ION, Polyoxidovanadate complex, ... | 著者 | Tito, G, Ferraro, G, Merlino, A. | 登録日 | 2023-07-14 | 公開日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.797 Å) | 主引用文献 | Stabilization and Binding of [V 4 O 12 ] 4- and Unprecedented [V 20 O 54 (NO 3 )] n- to Lysozyme upon Loss of Ligands and Oxidation of the Potential Drug V IV O(acetylacetonato) 2. Angew.Chem.Int.Ed.Engl., 62, 2023
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8PWL
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8FGS
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![BU of 8fgs by Molmil](/molmil-images/mine/8fgs) | Structure of human endothelial nitric oxide synthase heme domain in complex with 6-(5-(2-(diethylamino)ethyl)-2,3-difluorophenethyl)-4-methylpyridin-2-amine | 分子名称: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5,6,7,8-TETRAHYDROBIOPTERIN, 6-(2-{5-[2-(diethylamino)ethyl]-2,3-difluorophenyl}ethyl)-4-methylpyridin-2-amine, ... | 著者 | Li, H, Poulos, T.L. | 登録日 | 2022-12-12 | 公開日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.8449 Å) | 主引用文献 | Potent, Selective, and Membrane Permeable 2-Amino-4-Substituted Pyridine-Based Neuronal Nitric Oxide Synthase Inhibitors. J.Med.Chem., 66, 2023
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8PW2
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1BR6
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![BU of 1br6 by Molmil](/molmil-images/mine/1br6) | RICIN A CHAIN (RECOMBINANT) COMPLEX WITH PTEROIC ACID | 分子名称: | PROTEIN (RICIN), PTEROIC ACID | 著者 | Hollis, T, Yan, X, Svinth, M, Day, P, Monzingo, A.F, Milne, G.W.A, Robertus, J.D. | 登録日 | 1998-08-27 | 公開日 | 1998-09-02 | 最終更新日 | 2023-08-09 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Structure-based identification of a ricin inhibitor. J.Mol.Biol., 266, 1997
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8PZO
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![BU of 8pzo by Molmil](/molmil-images/mine/8pzo) | LpdD | 分子名称: | Protein LpdD, SODIUM ION | 著者 | Gahloth, D, Leys, D. | 登録日 | 2023-07-27 | 公開日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Structure of LpdD from Lactobacillus plantarum. To Be Published
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7AIS
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![BU of 7ais by Molmil](/molmil-images/mine/7ais) | Crystal structure of Torpedo Californica acetylcholinesterase in complex with 6-[(3-Chloro-6,7,10,11-tetrahydro-9-methyl-7,11-methanocycloocta[b]quinolin-12-yl)amino]-N-(4-hydroxy-3-methoxybenzyl)hexanamide | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 6-[(3-Chloro-6,7,10,11-tetrahydro-9-methyl-7,11-methanocycloocta[b]quinolin-12-yl)amino]-N-(4-hydroxy-3-methoxybenzyl)hexanamide, Acetylcholinesterase, ... | 著者 | Coquelle, N, Colletier, J.P. | 登録日 | 2020-09-28 | 公開日 | 2021-10-06 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | Discovery of a Potent Dual Inhibitor of Acetylcholinesterase and Butyrylcholinesterase with Antioxidant Activity that Alleviates Alzheimer-like Pathology in Old APP/PS1 Mice. J.Med.Chem., 64, 2021
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8FGT
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![BU of 8fgt by Molmil](/molmil-images/mine/8fgt) | Structure of human endothelial nitric oxide synthase heme domain in complex with 6-(2,3-difluoro-5-(2-(4-methylpiperazin-1-yl)ethyl)phenethyl)-4-methylpyridin-2-amine | 分子名称: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5,6,7,8-TETRAHYDROBIOPTERIN, 6-(2-{2,3-difluoro-5-[2-(4-methylpiperazin-1-yl)ethyl]phenyl}ethyl)-4-methylpyridin-2-amine, ... | 著者 | Li, H, Poulos, T.L. | 登録日 | 2022-12-12 | 公開日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Potent, Selective, and Membrane Permeable 2-Amino-4-Substituted Pyridine-Based Neuronal Nitric Oxide Synthase Inhibitors. J.Med.Chem., 66, 2023
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8PF8
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![BU of 8pf8 by Molmil](/molmil-images/mine/8pf8) | Structure of Mycobacterium tuberculosis beta-oxidation trifunctional enzyme in complex with Fragment-M-72 | 分子名称: | (2~{R})-3-bis[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]boranyloxypropane-1,2-diol, GLYCEROL, Probable fatty oxidation protein FadB, ... | 著者 | Dalwani, S, Wierenga, R.K, Venkatesan, R. | 登録日 | 2023-06-15 | 公開日 | 2024-01-24 | 最終更新日 | 2024-08-14 | 実験手法 | X-RAY DIFFRACTION (2.23 Å) | 主引用文献 | Crystallographic fragment-binding studies of the Mycobacterium tuberculosis trifunctional enzyme suggest binding pockets for the tails of the acyl-CoA substrates at its active sites and a potential substrate-channeling path between them. Acta Crystallogr D Struct Biol, 80, 2024
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8PNT
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![BU of 8pnt by Molmil](/molmil-images/mine/8pnt) | Structure of the human nuclear cap-binding complex bound to PHAX and m7G-capped RNA | 分子名称: | 7N-METHYL-8-HYDROGUANOSINE-5'-TRIPHOSPHATE, Nuclear cap-binding protein subunit 1, Nuclear cap-binding protein subunit 2, ... | 著者 | Dubiez, E, Pellegrini, E, Foucher, A.E, Cusack, S, Kadlec, J. | 登録日 | 2023-07-01 | 公開日 | 2024-01-17 | 実験手法 | ELECTRON MICROSCOPY (3.46 Å) | 主引用文献 | Structural basis for competitive binding of productive and degradative co-transcriptional effectors to the nuclear cap-binding complex. Cell Rep, 43, 2024
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8PW4
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8Q5K
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![BU of 8q5k by Molmil](/molmil-images/mine/8q5k) | PqsR coinducer binding domain of Pseudomonas aeruginosa with ligand 2t : 2-(4-(3-((6-chloro-1-(2-methoxyethyl)-1H-benzo[d]imidazol-2-yl)amino)-2-hydroxypropoxy)phenyl)acetonitrile | 分子名称: | 1,2-ETHANEDIOL, 2-[4-[(2~{S})-3-[[6-chloranyl-1-(2-methoxyethyl)benzimidazol-2-yl]amino]-2-oxidanyl-propoxy]phenyl]ethanenitrile, Multiple virulence factor regulator MvfR | 著者 | Markham-Lee, Z.J, Emsley, J. | 登録日 | 2023-08-09 | 公開日 | 2024-01-17 | 最終更新日 | 2024-04-17 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Design, Synthesis, and Evaluation of New 1 H -Benzo[ d ]imidazole Based PqsR Inhibitors as Adjuvant Therapy for Pseudomonas aeruginosa Infections. J.Med.Chem., 67, 2024
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8FGR
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![BU of 8fgr by Molmil](/molmil-images/mine/8fgr) | Structure of human endothelial nitric oxide synthase heme domain in complex with 6-(5-(2-aminoethyl)-2,3-difluorophenethyl)-4-methylpyridin-2-amine | 分子名称: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5,6,7,8-TETRAHYDROBIOPTERIN, 6-{2-[5-(2-aminoethyl)-2,3-difluorophenyl]ethyl}-4-methylpyridin-2-amine, ... | 著者 | Li, H, Poulos, T.L. | 登録日 | 2022-12-12 | 公開日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.98 Å) | 主引用文献 | Potent, Selective, and Membrane Permeable 2-Amino-4-Substituted Pyridine-Based Neuronal Nitric Oxide Synthase Inhibitors. J.Med.Chem., 66, 2023
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8PHE
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![BU of 8phe by Molmil](/molmil-images/mine/8phe) | ACAD9-WT in complex with ECSIT-CTER | 分子名称: | Complex I assembly factor ACAD9, mitochondrial, Evolutionarily conserved signaling intermediate in Toll pathway | 著者 | McGregor, L, Acajjaoui, S, Desfosses, A, Saidi, M, Bacia-Verloop, M, Schwarz, J.J, Juyoux, P, Von Velsen, J, Bowler, M.W, McCarthy, A, Kandiah, E, Gutsche, I, Soler-Lopez, M. | 登録日 | 2023-06-19 | 公開日 | 2024-01-24 | 最終更新日 | 2024-01-31 | 実験手法 | ELECTRON MICROSCOPY (3.1 Å) | 主引用文献 | The assembly of the Mitochondrial Complex I Assembly complex uncovers a redox pathway coordination. Nat Commun, 14, 2023
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8FGU
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![BU of 8fgu by Molmil](/molmil-images/mine/8fgu) | Structure of human endothelial nitric oxide synthase heme domain in complex with 4-(difluoromethyl)-6-(5-(2-(dimethylamino)ethyl)-2,3-difluorophenethyl)pyridin-2-amine | 分子名称: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-(difluoromethyl)-6-(2-{5-[2-(dimethylamino)ethyl]-2,3-difluorophenyl}ethyl)pyridin-2-amine, 5,6,7,8-TETRAHYDROBIOPTERIN, ... | 著者 | Li, H, Poulos, T.L. | 登録日 | 2022-12-12 | 公開日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Potent, Selective, and Membrane Permeable 2-Amino-4-Substituted Pyridine-Based Neuronal Nitric Oxide Synthase Inhibitors. J.Med.Chem., 66, 2023
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8PHF
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![BU of 8phf by Molmil](/molmil-images/mine/8phf) | Cryo-EM structure of human ACAD9-S191A | 分子名称: | Complex I assembly factor ACAD9, mitochondrial, FLAVIN-ADENINE DINUCLEOTIDE | 著者 | McGregor, L, Acajjaoui, S, Desfosses, A, Saidi, M, Bacia-Verloop, M, Schwarz, J.J, Juyoux, P, Von Velsen, J, Bowler, M.W, McCarthy, A, Kandiah, E, Gutsche, I, Soler-Lopez, M. | 登録日 | 2023-06-19 | 公開日 | 2024-01-24 | 最終更新日 | 2024-01-31 | 実験手法 | ELECTRON MICROSCOPY (3.6 Å) | 主引用文献 | The assembly of the Mitochondrial Complex I Assembly complex uncovers a redox pathway coordination. Nat Commun, 14, 2023
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4QFH
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8PL7
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![BU of 8pl7 by Molmil](/molmil-images/mine/8pl7) | Thioredoxin glutathione reductase of Schistosoma mansoni fragment screen hit 8. | 分子名称: | FLAVIN-ADENINE DINUCLEOTIDE, Thioredoxin glutathione reductase, ~{N}-morpholin-4-ylcarbothioylfuran-2-carboxamide | 著者 | Ribeiro, L, Montoya, B.O, Moreira-Filho, J.T, Bowyer, S, Verma, A, Neves, B.J, Owens, R.J, Andrade, C.H, Silva-Jr, F.P, Furnham, N. | 登録日 | 2023-06-27 | 公開日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.77 Å) | 主引用文献 | Fragment library screening by X-ray crystallography and binding site analysis on thioredoxin glutathione reductase of Schistosoma mansoni. Sci Rep, 14, 2024
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7AIW
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![BU of 7aiw by Molmil](/molmil-images/mine/7aiw) | Crystal structure of Torpedo Californica acetylcholinesterase in complex with (E)-10-[(3-Chloro-6,7,10,11-tetrahydro-9-methyl-7,11-methanocycloocta[b]quinolin-12-yl)amino]-N-(4-hydroxy-3-methoxybenzyl)-6-decenamide | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholinesterase, ... | 著者 | Coquelle, N, Colletier, J.P. | 登録日 | 2020-09-28 | 公開日 | 2021-10-06 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Discovery of a Potent Dual Inhibitor of Acetylcholinesterase and Butyrylcholinesterase with Antioxidant Activity that Alleviates Alzheimer-like Pathology in Old APP/PS1 Mice. J.Med.Chem., 64, 2021
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8PMP
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![BU of 8pmp by Molmil](/molmil-images/mine/8pmp) | Structure of the human nuclear cap-binding complex bound to ARS2[147-871] and m7GTP | 分子名称: | 7N-METHYL-8-HYDROGUANOSINE-5'-TRIPHOSPHATE, Nuclear cap-binding protein subunit 1, Nuclear cap-binding protein subunit 2, ... | 著者 | Dubiez, E, Pellegrini, E, Foucher, A.E, Cusack, S, Kadlec, J. | 登録日 | 2023-06-29 | 公開日 | 2024-01-17 | 実験手法 | ELECTRON MICROSCOPY (3.43 Å) | 主引用文献 | Structural basis for competitive binding of productive and degradative co-transcriptional effectors to the nuclear cap-binding complex. Cell Rep, 43, 2024
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7AIU
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![BU of 7aiu by Molmil](/molmil-images/mine/7aiu) | Crystal structure of Torpedo Californica acetylcholinesterase in complex with 8-[(3-Chloro-6,7,10,11-tetrahydro-9-methyl-7,11-methanocycloocta[b]quinolin-12-yl)amino]-N-(4-hydroxy-3-methoxybenzyl)octanamide | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 8-[(3-Chloro-6,7,10,11-tetrahydro-9-methyl-7,11-methanocycloocta[b]quinolin-12-yl)amino]-N-(4-hydroxy-3-methoxybenzyl)octanamide, Acetylcholinesterase, ... | 著者 | Coquelle, N, Colletier, J.P. | 登録日 | 2020-09-28 | 公開日 | 2021-10-06 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.996 Å) | 主引用文献 | Discovery of a Potent Dual Inhibitor of Acetylcholinesterase and Butyrylcholinesterase with Antioxidant Activity that Alleviates Alzheimer-like Pathology in Old APP/PS1 Mice. J.Med.Chem., 64, 2021
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