5X6P
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8FGK
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![BU of 8fgk by Molmil](/molmil-images/mine/8fgk) | Structure of human neuronal nitric oxide synthase R354A/G357D mutant heme domain in complex with 6-(5-(2-(diethylamino)ethyl)-2,3-difluorophenethyl)-4-methylpyridin-2-amine | 分子名称: | 5,6,7,8-TETRAHYDROBIOPTERIN, 6-(2-{5-[2-(diethylamino)ethyl]-2,3-difluorophenyl}ethyl)-4-methylpyridin-2-amine, GLYCEROL, ... | 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 (2.25 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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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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8FAJ
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![BU of 8faj by Molmil](/molmil-images/mine/8faj) | OXA-48-NA-1-157 inhibitor complex | 分子名称: | (5R)-3-{[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-5-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-5-methyl-4,5-dihydro-1H-pyrrole-2-carboxylic acid, Beta-lactamase, CADMIUM ION, ... | 著者 | Smith, C.A, Stewart, N.K, Toth, M, Vakulenko, S.B. | 登録日 | 2022-11-28 | 公開日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | The C5 alpha-Methyl-Substituted Carbapenem NA-1-157 Exhibits Potent Activity against Klebsiella spp. Isolates Producing OXA-48-Type Carbapenemases. Acs Infect Dis., 9, 2023
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8FGD
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![BU of 8fgd by Molmil](/molmil-images/mine/8fgd) | Structure of rat neuronal nitric oxide synthase R349A mutant heme domain in complex with 6-(5-(2-(diethylamino)ethyl)-2,3-difluorophenethyl)-4-methylpyridin-2-amine | 分子名称: | 5,6,7,8-TETRAHYDROBIOPTERIN, 6-(2-{5-[2-(diethylamino)ethyl]-2,3-difluorophenyl}ethyl)-4-methylpyridin-2-amine, ACETATE ION, ... | 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 (1.776 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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6UUX
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8FGP
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![BU of 8fgp by Molmil](/molmil-images/mine/8fgp) | Structure of human endothelial nitric oxide synthase heme domain in complex with 6-(5-(2-(dimethylamino)ethyl)-2,3-difluorophenethyl)-4-methoxypyridin-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-(dimethylamino)ethyl]-2,3-difluorophenyl}ethyl)-4-methoxypyridin-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 (1.88 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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5EDR
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![BU of 5edr by Molmil](/molmil-images/mine/5edr) | EGFR kinase (T790M/L858R) with inhibitor compound 27: ~{N}-(1~{H}-indazol-3-yl)-7,7-dimethyl-2-(2-methylpyrazol-3-yl)-5~{H}-furo[3,4-d]pyrimidin-4-amine | 分子名称: | Epidermal growth factor receptor, ~{N}-(1~{H}-indazol-3-yl)-7,7-dimethyl-2-(2-methylpyrazol-3-yl)-5~{H}-furo[3,4-d]pyrimidin-4-amine | 著者 | Eigenbrot, C, Yu, C. | 登録日 | 2015-10-21 | 公開日 | 2015-12-02 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | 4-Aminoindazolyl-dihydrofuro[3,4-d]pyrimidines as non-covalent inhibitors of mutant epidermal growth factor receptor tyrosine kinase. Bioorg.Med.Chem.Lett., 26, 2016
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6UWI
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8FGL
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![BU of 8fgl by Molmil](/molmil-images/mine/8fgl) | Structure of human neuronal nitric oxide synthase R354A/G357D mutant 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: | 5,6,7,8-TETRAHYDROBIOPTERIN, 6-(2-{2,3-difluoro-5-[2-(4-methylpiperazin-1-yl)ethyl]phenyl}ethyl)-4-methylpyridin-2-amine, GLYCEROL, ... | 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 (2.1 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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6ZLQ
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![BU of 6zlq by Molmil](/molmil-images/mine/6zlq) | Folding of an iron binding peptide in response to sedimentation is resolved using ferritin as a nano-reactor | 分子名称: | FE (III) ION, Ferritin | 著者 | Davidov, G, Abelya, G, Zalk, R, Izbicki, B, Shaibi, S, Spektor, L, Meyron Holtz, E.G, Zarivach, R, Frank, G.A. | 登録日 | 2020-07-01 | 公開日 | 2021-07-14 | 最終更新日 | 2024-07-10 | 実験手法 | ELECTRON MICROSCOPY (3.3 Å) | 主引用文献 | Folding of an Intrinsically Disordered Iron-Binding Peptide in Response to Sedimentation Revealed by Cryo-EM. J.Am.Chem.Soc., 142, 2020
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5ELO
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![BU of 5elo by Molmil](/molmil-images/mine/5elo) | |
5EMT
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5XU6
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![BU of 5xu6 by Molmil](/molmil-images/mine/5xu6) | Crystal structure of inositol 1,3,4,5,6-pentakisphosphate 2-kinase (IPK1) from Cryptococcus neoformans | 分子名称: | Inositol-pentakisphosphate 2-kinase, SULFATE ION | 著者 | Oh, J, Rhee, S. | 登録日 | 2017-06-22 | 公開日 | 2017-10-04 | 最終更新日 | 2017-11-29 | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | 主引用文献 | Crystal structure of inositol 1,3,4,5,6-pentakisphosphate 2-kinase from Cryptococcus neoformans. J. Struct. Biol., 200, 2017
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5EQS
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![BU of 5eqs by Molmil](/molmil-images/mine/5eqs) | Crystal structure of a genotype 1a/3a chimeric HCV NS3/4A protease in complex with Asunaprevir | 分子名称: | N-(tert-butoxycarbonyl)-3-methyl-L-valyl-(4R)-4-[(7-chloro-4-methoxyisoquinolin-1-yl)oxy]-N-{(1R,2S)-1-[(cyclopropylsulfonyl)carbamoyl]-2-ethenylcyclopropyl}-L-prolinamide, NS3 protease, ZINC ION | 著者 | Soumana, D, Yilmaz, N.K, Ali, A, Prachanronarong, K.L, Schiffer, C.A. | 登録日 | 2015-11-13 | 公開日 | 2016-11-23 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.839 Å) | 主引用文献 | Molecular and Dynamic Mechanism Underlying Drug Resistance in Genotype 3 Hepatitis C NS3/4A Protease. J.Am.Chem.Soc., 138, 2016
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5X7Z
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![BU of 5x7z by Molmil](/molmil-images/mine/5x7z) | CRYSTAL STRUCTURE OF MYCOBACTERIUM TUBERCULOSIS MARR FAMILY PROTEIN RV2887 COMPLEX WITH P-AMINOSALICYLIC ACID | 分子名称: | 2-HYDROXY-4-AMINOBENZOIC ACID, Uncharacterized HTH-type transcriptional regulator Rv2887 | 著者 | Gao, Y.R, Li, D.F, Wang, D.C, Bi, L.J. | 登録日 | 2017-02-28 | 公開日 | 2017-08-09 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Structural analysis of the regulatory mechanism of MarR protein Rv2887 in M. tuberculosis Sci Rep, 7, 2017
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6V7A
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![BU of 6v7a by Molmil](/molmil-images/mine/6v7a) | Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 (CD2) complexed with NF2657 | 分子名称: | Hdac6 protein, N-hydroxy-4-[(1-methyl-1,2-dihydro-1'H-spiro[indole-3,4'-piperidin]-1'-yl)methyl]benzamide, POTASSIUM ION, ... | 著者 | Osko, J.D, Christianson, D.W. | 登録日 | 2019-12-08 | 公開日 | 2020-12-02 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.0874176 Å) | 主引用文献 | Spiroindoline-Capped Selective HDAC6 Inhibitors: Design, Synthesis, Structural Analysis, and Biological Evaluation. Acs Med.Chem.Lett., 11, 2020
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5XV7
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![BU of 5xv7 by Molmil](/molmil-images/mine/5xv7) | SRPK1 in complex with Alectinib | 分子名称: | 1,2-ETHANEDIOL, 9-ethyl-6,6-dimethyl-8-[4-(morpholin-4-yl)piperidin-1-yl]-11-oxo-6,11-dihydro-5H-benzo[b]carbazole-3-carbonitrile, serine-arginine (SR) protein kinase 1 | 著者 | Zeng, C, Ngo, J.C.K. | 登録日 | 2017-06-26 | 公開日 | 2018-03-14 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.32 Å) | 主引用文献 | SRPKIN-1: A Covalent SRPK1/2 Inhibitor that Potently Converts VEGF from Pro-angiogenic to Anti-angiogenic Isoform Cell Chem Biol, 25, 2018
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7T4K
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![BU of 7t4k by Molmil](/molmil-images/mine/7t4k) | Structure of dimeric phosphorylated Pediculus humanus (Ph) PINK1 with kinked alpha-C helix in chain B | 分子名称: | Serine/threonine-protein kinase PINK1, putative | 著者 | Gan, Z.Y, Leis, A, Dewson, G, Glukhova, A, Komander, D. | 登録日 | 2021-12-10 | 公開日 | 2022-01-12 | 最終更新日 | 2022-02-23 | 実験手法 | ELECTRON MICROSCOPY (3.25 Å) | 主引用文献 | Activation mechanism of PINK1. Nature, 602, 2022
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7T4L
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![BU of 7t4l by Molmil](/molmil-images/mine/7t4l) | Structure of dimeric phosphorylated Pediculus humanus (Ph) PINK1 with extended alpha-C helix in chain B | 分子名称: | Serine/threonine-protein kinase PINK1, putative | 著者 | Gan, Z.Y, Leis, A, Dewson, G, Glukhova, A, Komander, D. | 登録日 | 2021-12-10 | 公開日 | 2022-01-12 | 最終更新日 | 2022-02-23 | 実験手法 | ELECTRON MICROSCOPY (3.28 Å) | 主引用文献 | Activation mechanism of PINK1. Nature, 602, 2022
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5ETY
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![BU of 5ety by Molmil](/molmil-images/mine/5ety) | Crystal Structure of human Tankyrase-1 bound to K-756 | 分子名称: | 3-[[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]methyl]-1,4-dihydroquinazolin-2-one, Tankyrase-1, ZINC ION | 著者 | Takahashi, Y, Miyagi, H, Suzuki, M, Saito, J. | 登録日 | 2015-11-18 | 公開日 | 2016-06-22 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | The Discovery and Characterization of K-756, a Novel Wnt/ beta-Catenin Pathway Inhibitor Targeting Tankyrase Mol.Cancer Ther., 15, 2016
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8FYT
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![BU of 8fyt by Molmil](/molmil-images/mine/8fyt) | LSD-bound serotonin 1A (5-HT1A) receptor-Gi1 protein complex | 分子名称: | (8alpha)-N,N-diethyl-6-methyl-9,10-didehydroergoline-8-carboxamide, CHOLESTEROL HEMISUCCINATE, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | 著者 | Warren, A.L, Zilberg, G, Capper, M.J, Wacker, D. | 登録日 | 2023-01-26 | 公開日 | 2024-05-15 | 最終更新日 | 2024-06-19 | 実験手法 | ELECTRON MICROSCOPY (2.64 Å) | 主引用文献 | Structural pharmacology and therapeutic potential of 5-methoxytryptamines. Nature, 630, 2024
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8FYX
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![BU of 8fyx by Molmil](/molmil-images/mine/8fyx) | Buspirone-bound serotonin 1A (5-HT1A) receptor-Gi1 protein complex | 分子名称: | Buspirone, CHOLESTEROL HEMISUCCINATE, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | 著者 | Warren, A.L, Zilberg, G, Capper, M.J, Wacker, D. | 登録日 | 2023-01-26 | 公開日 | 2024-05-15 | 最終更新日 | 2024-06-19 | 実験手法 | ELECTRON MICROSCOPY (2.62 Å) | 主引用文献 | Structural pharmacology and therapeutic potential of 5-methoxytryptamines. Nature, 630, 2024
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8FYL
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![BU of 8fyl by Molmil](/molmil-images/mine/8fyl) | Vilazodone-bound serotonin 1A (5-HT1A) receptor-Gi1 protein complex | 分子名称: | 5-{4-[4-(5-cyano-1H-indol-3-yl)butyl]piperazin-1-yl}-1-benzofuran-2-carboxamide, CHOLESTEROL HEMISUCCINATE, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | 著者 | Warren, A.L, Zilberg, G, Capper, M.J, Wacker, D. | 登録日 | 2023-01-26 | 公開日 | 2024-05-15 | 最終更新日 | 2024-06-19 | 実験手法 | ELECTRON MICROSCOPY (2.94 Å) | 主引用文献 | Structural pharmacology and therapeutic potential of 5-methoxytryptamines. Nature, 630, 2024
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8FYE
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![BU of 8fye by Molmil](/molmil-images/mine/8fye) | 4-F, 5-MeO-PyrT-bound serotonin 1A (5-HT1A) receptor-Gi1 protein complex | 分子名称: | 4-fluoro-5-methoxy-3-[2-(pyrrolidin-1-yl)ethyl]-1H-indole, CHOLESTEROL HEMISUCCINATE, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | 著者 | Warren, A.L, Zilberg, G, Capper, M.J, Wacker, D. | 登録日 | 2023-01-26 | 公開日 | 2024-05-15 | 最終更新日 | 2024-06-19 | 実験手法 | ELECTRON MICROSCOPY (2.85 Å) | 主引用文献 | Structural pharmacology and therapeutic potential of 5-methoxytryptamines. Nature, 630, 2024
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