3G6K
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![BU of 3g6k by Molmil](/molmil-images/mine/3g6k) | Crystal Structure of Candida glabrata FMN Adenylyltransferase in complex with FAD and Inorganic Pyrophosphate | 分子名称: | FLAVIN-ADENINE DINUCLEOTIDE, FMN adenylyltransferase, MAGNESIUM ION, ... | 著者 | Huerta, C, Machius, M, Zhang, H. | 登録日 | 2009-02-06 | 公開日 | 2009-05-26 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | 主引用文献 | Structure and mechanism of a eukaryotic FMN adenylyltransferase. J.Mol.Biol., 389, 2009
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7X3M
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![BU of 7x3m by Molmil](/molmil-images/mine/7x3m) | Crystal structure of Aldo-keto reductase 1C3 complexed with compound S07045 | 分子名称: | (2~{R})-2-[4-[3,5-bis(chloranyl)phenyl]-3-(trifluoromethyl)phenyl]butanoic acid, Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | 著者 | Jiang, J, Liu, Y, He, S, Chen, Y, Chu, X, Liu, Y, Guo, Q, Zhao, L, Feng, F, Liu, W, Zhang, X, Fang, P, Sun, H. | 登録日 | 2022-03-01 | 公開日 | 2023-03-08 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.694 Å) | 主引用文献 | Development of Biaryl-Containing Aldo-Keto Reductase 1C3 (AKR1C3) Inhibitors for Reversing AKR1C3-Mediated Drug Resistance in Cancer Treatment. J.Med.Chem., 66, 2023
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7X3L
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![BU of 7x3l by Molmil](/molmil-images/mine/7x3l) | Crystal structure of Aldo-keto reductase 1C3 complexed with compound S07044 | 分子名称: | (2~{R})-2-[4-(3-fluoranyl-4-methyl-phenyl)-3-(trifluoromethyl)phenyl]butanoic acid, Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | 著者 | Jiang, J, Liu, Y, He, S, Chen, Y, Chu, X, Liu, Y, Guo, Q, Zhao, L, Feng, F, Liu, W, Zhang, X, Fang, P, Sun, H. | 登録日 | 2022-03-01 | 公開日 | 2023-03-08 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.86 Å) | 主引用文献 | Development of Biaryl-Containing Aldo-Keto Reductase 1C3 (AKR1C3) Inhibitors for Reversing AKR1C3-Mediated Drug Resistance in Cancer Treatment. J.Med.Chem., 66, 2023
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3FWK
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6GVG
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![BU of 6gvg by Molmil](/molmil-images/mine/6gvg) | Crystal structure of PI3K alpha in complex with 3-(2-Amino-benzooxazol-5-yl)-1-isopropyl-4-methyl-1H-pyrazolo[3,4-d]pyrimidin-6-ylamine | 分子名称: | 5-(6-azanyl-4-methyl-1-propan-2-yl-pyrazolo[3,4-d]pyrimidin-3-yl)-1,3-benzoxazol-2-amine, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | 著者 | Ouvry, G, Aurelly, M, Bonnary, L, Borde, E, Bouix-Peter, C, Chantalat, L, Clary, L, Defoin-Platel, C, Deret, S, Forissier, M, Harris, C.S, Isabet, T, Lamy, L, Luzy, A.P, Pascau, J, Soulet, C, Taddei, A, Taquet, N, Tomas, L, Thoreau, E, Varvier, E, Vial, E, Hennequin, L.F. | 登録日 | 2018-06-21 | 公開日 | 2019-10-02 | 最終更新日 | 2024-05-15 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | Impact of Minor Structural Modifications on Properties of a Series of mTOR Inhibitors. Acs Med.Chem.Lett., 10, 2019
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3PB5
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![BU of 3pb5 by Molmil](/molmil-images/mine/3pb5) | Endothiapepsin in complex with a fragment | 分子名称: | Endothiapepsin, GLYCEROL, N-methyl-1-[5-(pyridin-3-yloxy)furan-2-yl]methanamine | 著者 | Koester, H, Heine, A, Klebe, G. | 登録日 | 2010-10-20 | 公開日 | 2011-10-19 | 最終更新日 | 2018-03-07 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | A small nonrule of 3 compatible fragment library provides high hit rate of endothiapepsin crystal structures with various fragment chemotypes. J.Med.Chem., 54, 2011
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7JU4
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![BU of 7ju4 by Molmil](/molmil-images/mine/7ju4) | Radial spoke 2 stalk, IDAc, and N-DRC attached with doublet microtubule | 分子名称: | 28 kDa inner dynein arm light chain, axonemal, ADENOSINE-5'-TRIPHOSPHATE, ... | 著者 | Gui, M, Ma, M, Sze-Tu, E, Wang, X, Koh, F, Zhong, E, Berger, B, Davis, J, Dutcher, S, Zhang, R, Brown, A. | 登録日 | 2020-08-19 | 公開日 | 2020-12-16 | 最終更新日 | 2024-03-06 | 実験手法 | ELECTRON MICROSCOPY (3.4 Å) | 主引用文献 | Structures of radial spokes and associated complexes important for ciliary motility. Nat.Struct.Mol.Biol., 28, 2021
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5ML5
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![BU of 5ml5 by Molmil](/molmil-images/mine/5ml5) | Human p38alpha MAPK in complex with imidazolyl pyridine inhibitor 11b | 分子名称: | 3-(2,5-dimethoxyphenyl)-~{N}-[4-[4-(4-fluorophenyl)-2-methylsulfanyl-1~{H}-imidazol-5-yl]pyridin-2-yl]propanamide, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside | 著者 | Buehrmann, M, Rauh, D. | 登録日 | 2016-12-06 | 公開日 | 2017-04-05 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Optimized 4,5-Diarylimidazoles as Potent/Selective Inhibitors of Protein Kinase CK1 delta and Their Structural Relation to p38 alpha MAPK. Molecules, 22, 2017
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7JTK
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![BU of 7jtk by Molmil](/molmil-images/mine/7jtk) | Radial spoke 1 isolated from Chlamydomonas reinhardtii | 分子名称: | Cytochrome b5 heme-binding domain-containing protein, Dynein 8 kDa light chain, flagellar outer arm, ... | 著者 | Gui, M, Ma, M, Sze-Tu, E, Wang, X, Koh, F, Zhong, E, Berger, B, Davis, J, Dutcher, S, Zhang, R, Brown, A. | 登録日 | 2020-08-17 | 公開日 | 2020-12-16 | 最終更新日 | 2021-01-27 | 実験手法 | ELECTRON MICROSCOPY (3.2 Å) | 主引用文献 | Structures of radial spokes and associated complexes important for ciliary motility. Nat.Struct.Mol.Biol., 28, 2021
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7B9H
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![BU of 7b9h by Molmil](/molmil-images/mine/7b9h) | Crystal structure of the PDE4D catalytic domain in complex with GEBR-42a | 分子名称: | 1,2-ETHANEDIOL, 3-[(~{E})-1-(3-cyclopentyloxy-4-methoxy-phenyl)ethylideneamino]oxy-1-morpholin-4-yl-propan-1-one, MAGNESIUM ION, ... | 著者 | Torretta, A, Abbate, S, Parisini, E. | 登録日 | 2020-12-14 | 公開日 | 2021-06-30 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Design, synthesis, biological evaluation and structural characterization of novel GEBR library PDE4D inhibitors. Eur.J.Med.Chem., 223, 2021
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6HMW
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8DPZ
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1AY6
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![BU of 1ay6 by Molmil](/molmil-images/mine/1ay6) | THROMBIN INHIBITOR FROM THEONALLA, CYCLOTHEANAMIDE-BASED MACROCYCLIC TRIPEPTIDE MOTIF | 分子名称: | HIRUGEN, THROMBIN HEAVY CHAIN, THROMBIN LIGHT CHAIN, ... | 著者 | Ganesh, V, Maryanoff, B.E, Tulinsky, A. | 登録日 | 1997-11-14 | 公開日 | 1998-03-18 | 最終更新日 | 2023-08-02 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Novel thrombin inhibitors that are based on a macrocyclic tripeptide motif Bioorg.Med.Chem.Lett., 6, 1996
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3E93
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8EW4
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![BU of 8ew4 by Molmil](/molmil-images/mine/8ew4) | Human Serum Albumin with Cobalt (II) and Myristic Acid - crystal 1 | 分子名称: | COBALT (II) ION, MYRISTIC ACID, Serum albumin | 著者 | Gucwa, M, Cooper, D.R, Unciano, J, Lea, K, Kim, L, Lenkiewicz, J, Starban, I, Stewart, A.J, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID), Center for Structural Biology of Infectious Diseases (CSBID) | 登録日 | 2022-10-21 | 公開日 | 2022-11-09 | 最終更新日 | 2024-06-26 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Structural and biochemical characterisation of Co2+-binding sites on serum albumins and their interplay with fatty acids Chem Sci, 14, 2023
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8EY5
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![BU of 8ey5 by Molmil](/molmil-images/mine/8ey5) | Human Serum Albumin with Cobalt (II) and Myristic Acid - crystal 3 | 分子名称: | COBALT (II) ION, MYRISTIC ACID, Serum albumin | 著者 | Gucwa, M, Cooper, D.R, Stewart, A.J, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID), Center for Structural Biology of Infectious Diseases (CSBID) | 登録日 | 2022-10-26 | 公開日 | 2022-11-09 | 最終更新日 | 2024-06-26 | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | 主引用文献 | Structural and biochemical characterisation of Co2+-binding sites on serum albumins and their interplay with fatty acids Chem Sci, 14, 2023
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6HJD
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8EW7
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![BU of 8ew7 by Molmil](/molmil-images/mine/8ew7) | Human Serum Albumin with Cobalt (II) and Myristic Acid - crystal 2 | 分子名称: | COBALT (II) ION, MYRISTIC ACID, Serum albumin | 著者 | Gucwa, M, Cooper, D.R, Stewart, A.J, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID), Center for Structural Biology of Infectious Diseases (CSBID) | 登録日 | 2022-10-21 | 公開日 | 2022-11-09 | 最終更新日 | 2024-06-26 | 実験手法 | X-RAY DIFFRACTION (3.3 Å) | 主引用文献 | Structural and biochemical characterisation of Co2+-binding sites on serum albumins and their interplay with fatty acids Chem Sci, 14, 2023
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5EIB
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7JTS
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![BU of 7jts by Molmil](/molmil-images/mine/7jts) | Stalk of radial spoke 1 attached with doublet microtubule from Chlamydomonas reinhardtii | 分子名称: | Calmodulin, Dynein 8 kDa light chain, flagellar outer arm, ... | 著者 | Gui, M, Ma, M, Sze-Tu, E, Wang, X, Koh, F, Zhong, E, Berger, B, Davis, J, Dutcher, S, Zhang, R, Brown, A. | 登録日 | 2020-08-18 | 公開日 | 2020-12-16 | 最終更新日 | 2024-03-06 | 実験手法 | ELECTRON MICROSCOPY (6.1 Å) | 主引用文献 | Structures of radial spokes and associated complexes important for ciliary motility. Nat.Struct.Mol.Biol., 28, 2021
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3ZO3
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![BU of 3zo3 by Molmil](/molmil-images/mine/3zo3) | The Synthesis and Evaluation of Diazaspirocyclic Protein Kinase Inhibitors | 分子名称: | 6-(2,9-DIAZASPIRO[5.5]UNDECAN-2-YL)-9H-PURINE, CAMP-DEPENDENT PROTEIN KINASE CATALYTIC SUBUNIT ALPHA, CAMP-DEPENDENT PROTEIN KINASE INHIBITOR ALPHA, ... | 著者 | Allen, C.E, Chow, C.L, Caldwell, J.J, Westwood, I.M, van Montfort, R.L, Collins, I. | 登録日 | 2013-02-20 | 公開日 | 2013-03-06 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Synthesis and evaluation of heteroaryl substituted diazaspirocycles as scaffolds to probe the ATP-binding site of protein kinases. Bioorg. Med. Chem., 21, 2013
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6GVH
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![BU of 6gvh by Molmil](/molmil-images/mine/6gvh) | Crystal structure of PI3K alpha in complex with 3-(2-Amino-benzooxazol-5-yl)-4-chloro-1-isopropyl-1H-pyrazolo[3,4-d]pyrimidin-6-ylamine | 分子名称: | 5-(6-azanyl-4-chloranyl-1-propan-2-yl-pyrazolo[3,4-d]pyrimidin-3-yl)-1,3-benzoxazol-2-amine, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | 著者 | Ouvry, G, Aurelly, M, Bonnary, L, Borde, E, Bouix-Peter, C, Chantalat, L, Clary, L, Defoin-Platel, C, Deret, S, Forissier, M, Harris, C.S, Isabet, T, Lamy, L, Luzy, A.P, Pascau, J, Soulet, C, Taddei, A, Taquet, N, Tomas, L, Thoreau, E, Varvier, E, Vial, E, Hennequin, L.F. | 登録日 | 2018-06-21 | 公開日 | 2019-10-02 | 最終更新日 | 2024-05-15 | 実験手法 | X-RAY DIFFRACTION (2.74 Å) | 主引用文献 | Impact of Minor Structural Modifications on Properties of a Series of mTOR Inhibitors. Acs Med.Chem.Lett., 10, 2019
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2XDY
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3VI6
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![BU of 3vi6 by Molmil](/molmil-images/mine/3vi6) | Crystal Structure of human ribosomal protein L30e | 分子名称: | 60S ribosomal protein L30, FORMIC ACID | 著者 | Kawaguchi, A, Ose, T, Yao, M, Tanaka, I. | 登録日 | 2011-09-21 | 公開日 | 2011-12-21 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.59 Å) | 主引用文献 | Crystallization and preliminary X-ray structure analysis of human ribosomal protein L30e Acta Crystallogr.,Sect.F, 67, 2011
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3E2B
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![BU of 3e2b by Molmil](/molmil-images/mine/3e2b) | Crystal structure of Dynein Light chain LC8 in complex with a peptide derived from Swallow | 分子名称: | ACETATE ION, Dynein light chain 1, cytoplasmic, ... | 著者 | Benison, G, Barbar, E, Karplus, P.A. | 登録日 | 2008-08-05 | 公開日 | 2008-08-12 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | The interplay of ligand binding and quaternary structure in the diverse interactions of dynein light chain LC8. J.Mol.Biol., 384, 2008
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