1BOZ
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![BU of 1boz by Molmil](/molmil-images/mine/1boz) | STRUCTURE-BASED DESIGN AND SYNTHESIS OF LIPOPHILIC 2,4-DIAMINO-6-SUBSTITUTED QUINAZOLINES AND THEIR EVALUATION AS INHIBITORS OF DIHYDROFOLATE REDUCTASE AND POTENTIAL ANTITUMOR AGENTS | 分子名称: | N6-(2,5-DIMETHOXY-BENZYL)-N6-METHYL-PYRIDO[2,3-D]PYRIMIDINE-2,4,6-TRIAMINE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, PROTEIN (DIHYDROFOLATE REDUCTASE) | 著者 | Gangjee, A, Vidwans, A.P, Vasudevan, A, Queener, S.F, Kisliuk, R.L, Cody, V, Li, R, Galitsky, N, Luft, J.R, Pangborn, W. | 登録日 | 1998-08-06 | 公開日 | 1998-08-12 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Structure-based design and synthesis of lipophilic 2,4-diamino-6-substituted quinazolines and their evaluation as inhibitors of dihydrofolate reductases and potential antitumor agents. J.Med.Chem., 41, 1998
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6C1S
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![BU of 6c1s by Molmil](/molmil-images/mine/6c1s) | Phosphoinositide 3-Kinase gamma bound to an pyrrolopyridinone Inhibitor | 分子名称: | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION, {4-[2-(5,6-dimethoxypyridin-3-yl)-5-oxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl]-1H-pyrazol-1-yl}acetonitrile | 著者 | Jacobs, M.D, Griffin, J.P. | 登録日 | 2018-01-05 | 公開日 | 2018-06-27 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.31 Å) | 主引用文献 | Design and Synthesis of a Novel Series of Orally Bioavailable, CNS-Penetrant, Isoform Selective Phosphoinositide 3-Kinase gamma (PI3K gamma ) Inhibitors with Potential for the Treatment of Multiple Sclerosis (MS). J. Med. Chem., 61, 2018
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6TJY
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![BU of 6tjy by Molmil](/molmil-images/mine/6tjy) | Crystal structure of haemagglutinin from (A/seal/Germany/1/2014) seal H10N7 influenza virus | 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, CALCIUM ION, ... | 著者 | Zhang, J, Xiong, X, Purkiss, A, Walker, P, Gamblin, S, Skehel, J.J. | 登録日 | 2019-11-27 | 公開日 | 2020-10-21 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.82 Å) | 主引用文献 | Hemagglutinin Traits Determine Transmission of Avian A/H10N7 Influenza Virus between Mammals. Cell Host Microbe, 28, 2020
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1NAM
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![BU of 1nam by Molmil](/molmil-images/mine/1nam) | MURINE ALLOREACTIVE SCFV TCR-PEPTIDE-MHC CLASS I MOLECULE COMPLEX | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BM3.3 T Cell Receptor alpha-Chain, BM3.3 T Cell Receptor beta-Chain, ... | 著者 | Reiser, J.-B, Darnault, C, Gregoire, C, Mosser, T, Mazza, G, Kearnay, A, van der Merwe, P.A, Fontecilla-Camps, J.C, Housset, D, Malissen, B. | 登録日 | 2002-11-28 | 公開日 | 2003-03-11 | 最終更新日 | 2023-08-16 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | CDR3 loop flexibility contributes to the degeneracy of TCR recognition Nat.Immunol., 4, 2003
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2WIN
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![BU of 2win by Molmil](/molmil-images/mine/2win) | C3 convertase (C3bBb) stabilized by SCIN | 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, COMPLEMENT C3 BETA CHAIN, ... | 著者 | Wu, J, Janssen, B.J, Gros, P. | 登録日 | 2009-05-13 | 公開日 | 2009-06-09 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (3.9 Å) | 主引用文献 | Structural and functional implications of the alternative complement pathway C3 convertase stabilized by a staphylococcal inhibitor. Nat. Immunol., 10, 2009
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3K35
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![BU of 3k35 by Molmil](/molmil-images/mine/3k35) | Crystal Structure of Human SIRT6 | 分子名称: | ADENOSINE-5-DIPHOSPHORIBOSE, NAD-dependent deacetylase sirtuin-6, SULFATE ION, ... | 著者 | Pan, P.W, Dong, A, Qiu, W, Loppnau, P, Wang, J, Ravichandran, M, Bochkarev, A, Bountra, C, Weigelt, J, Arrowsmith, C.H, Min, J, Edwards, A.M, Structural Genomics Consortium (SGC) | 登録日 | 2009-10-01 | 公開日 | 2009-12-08 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Structure and biochemical functions of SIRT6. J.Biol.Chem., 286, 2011
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5CBK
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![BU of 5cbk by Molmil](/molmil-images/mine/5cbk) | Crystal structure of the strigolactone receptor ShHTL5 from Striga hermonthica | 分子名称: | 3,6,9,12,15,18,21,24,27,30,33,36,39-TRIDECAOXAHENTETRACONTANE-1,41-DIOL, CHLORIDE ION, MAGNESIUM ION, ... | 著者 | Stogios, P.J, Onopriyenko, O, Yim, V, Savchenko, A. | 登録日 | 2015-07-01 | 公開日 | 2015-10-21 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.462 Å) | 主引用文献 | Structure-function analysis identifies highly sensitive strigolactone receptors in Striga. Science, 350, 2015
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4JWR
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5K4T
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7ERO
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![BU of 7ero by Molmil](/molmil-images/mine/7ero) | Crystal structure of D-allulose 3-epimerase with D-allulose from Agrobacterium sp. SUL3 | 分子名称: | D-psicose, D-tagatose 3-epimerase, MAGNESIUM ION | 著者 | Zhu, Z.L, Miyakawa, T, Tanokura, M, Lu, F.P, Qin, H.-M. | 登録日 | 2021-05-06 | 公開日 | 2022-05-11 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.12 Å) | 主引用文献 | Growth-Coupled Evolutionary Pressure Improving Epimerases for D-Allulose Biosynthesis Using a Biosensor-Assisted In Vivo Selection Platform Adv Sci, 2024
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1YI2
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![BU of 1yi2 by Molmil](/molmil-images/mine/1yi2) | Crystal Structure Of Erythromycin Bound To The G2099A Mutant 50S Ribosomal Subunit Of Haloarcula Marismortui | 分子名称: | 23S Ribosomal RNA, 50S RIBOSOMAL PROTEIN L10E, 50S RIBOSOMAL PROTEIN L11P, ... | 著者 | Tu, D, Blaha, G, Moore, P.B, Steitz, T.A. | 登録日 | 2005-01-11 | 公開日 | 2005-04-26 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | 主引用文献 | Structures of MLSBK antibiotics bound to mutated large ribosomal subunits provide a structural explanation for resistance. Cell(Cambridge,Mass.), 121, 2005
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7ERN
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![BU of 7ern by Molmil](/molmil-images/mine/7ern) | Crystal structure of D-allulose 3-epimerase with D-fructose from Agrobacterium sp. SUL3 | 分子名称: | D-fructose, D-tagatose 3-epimerase, MAGNESIUM ION | 著者 | Zhu, Z.L, Miyakawa, T, Tanokura, M, Lu, F.P, Qin, H.-M. | 登録日 | 2021-05-06 | 公開日 | 2022-05-11 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | 主引用文献 | Growth-Coupled Evolutionary Pressure Improving Epimerases for D-Allulose Biosynthesis Using a Biosensor-Assisted In Vivo Selection Platform Adv Sci, 2024
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7ERM
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![BU of 7erm by Molmil](/molmil-images/mine/7erm) | Crystal structure of D-allulose 3-epimerase from Agrobacterium sp. SUL3 | 分子名称: | D-tagatose 3-epimerase, MAGNESIUM ION, SULFATE ION | 著者 | Zhu, Z.L, Miyakawa, T, Tanokura, M, Lu, F.P, Qin, H.-M. | 登録日 | 2021-05-06 | 公開日 | 2022-05-11 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.32 Å) | 主引用文献 | Growth-Coupled Evolutionary Pressure Improving Epimerases for D-Allulose Biosynthesis Using a Biosensor-Assisted In Vivo Selection Platform Adv Sci, 2024
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5CFC
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6TFK
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![BU of 6tfk by Molmil](/molmil-images/mine/6tfk) | Vip3Aa toxin structure | 分子名称: | MAGNESIUM ION, Vegetative insecticidal protein | 著者 | Nunez-Ramirez, R, Huesa, J, Bel, Y, Ferre, J, Casino, P, Arias-Palomo, E. | 登録日 | 2019-11-14 | 公開日 | 2020-08-12 | 最終更新日 | 2024-05-22 | 実験手法 | ELECTRON MICROSCOPY (2.9 Å) | 主引用文献 | Molecular architecture and activation of the insecticidal protein Vip3Aa from Bacillus thuringiensis. Nat Commun, 11, 2020
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1YHQ
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![BU of 1yhq by Molmil](/molmil-images/mine/1yhq) | Crystal Structure Of Azithromycin Bound To The G2099A Mutant 50S Ribosomal Subunit Of Haloarcula Marismortui | 分子名称: | 23S Ribosomal RNA, 50S RIBOSOMAL PROTEIN L10E, 50S RIBOSOMAL PROTEIN L11P, ... | 著者 | Tu, D, Blaha, G, Moore, P.B, Steitz, T.A. | 登録日 | 2005-01-10 | 公開日 | 2005-04-26 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Structures of MLSBK antibiotics bound to mutated large ribosomal subunits provide a structural explanation for resistance. Cell(Cambridge,Mass.), 121, 2005
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1BWR
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![BU of 1bwr by Molmil](/molmil-images/mine/1bwr) | PROBING THE SUBSTRATE SPECIFICITY OF THE INTRACELLULAR BRAIN PLATELET-ACTIVATING FACTOR ACETYLHYDROLASE | 分子名称: | PLATELET-ACTIVATING FACTOR ACETYLHYDROLASE | 著者 | Ho, Y.S, Sheffield, P.J, Masuyama, J, Arai, H, Li, J, Aoki, J, Inoue, K, Derewenda, U, Derewenda, Z. | 登録日 | 1998-09-27 | 公開日 | 1999-05-18 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Probing the Substrate Specificity of the Intracellular Brain Platelet-Activating Factor Acetylhydrolase Protein Eng., 12, 1999
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2VO4
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![BU of 2vo4 by Molmil](/molmil-images/mine/2vo4) | Glutathione transferase from Glycine max | 分子名称: | 2,4-D INDUCIBLE GLUTATHIONE S-TRANSFERASE, 4-NITROPHENYL METHANETHIOL, GLYCEROL, ... | 著者 | Axarli, I, Dhavala, P, Papageorgiou, A.C, Labrou, N.E. | 登録日 | 2008-02-08 | 公開日 | 2008-12-02 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | Crystallographic and Functional Characterization of the Fluorodifen-Inducible Glutathione Transferase from Glycine Max Reveals an Active Site Topography Suited for Diphenylether Herbicides and a Novel L-Site. J.Mol.Biol., 385, 2009
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6CDQ
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3X12
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![BU of 3x12 by Molmil](/molmil-images/mine/3x12) | Crystal structure of HLA-B*57:01.I80N | 分子名称: | Beta-2-microglobulin, HLA class I histocompatibility antigen, B-57 alpha chain, ... | 著者 | Vivian, J.P, Rossjohn, J. | 登録日 | 2014-10-24 | 公開日 | 2014-12-24 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | The interaction of KIR3DL1*001 with HLA class I molecules is dependent upon molecular microarchitecture within the Bw4 epitope J.Immunol., 194, 2015
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6FRC
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2IVT
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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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6CME
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![BU of 6cme by Molmil](/molmil-images/mine/6cme) | Structure of wild-type ISL2-LID in complex with LHX4-LIM1+2 | 分子名称: | LIM/homeobox protein Lhx4,Insulin gene enhancer protein ISL-2, ZINC ION | 著者 | Stokes, P.H, Silva, A, Guss, J.M, Matthews, J.M. | 登録日 | 2018-03-04 | 公開日 | 2019-04-10 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.92 Å) | 主引用文献 | Mutation in a flexible linker modulates binding affinity for modular complexes. Proteins, 87, 2019
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4R2X
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![BU of 4r2x by Molmil](/molmil-images/mine/4r2x) | Unique conformation of uridine and asymmetry of the hexameric molecule revealed in the high-resolution structures of Shewanella oneidensis uridine phosphorylase in the free form and in complex with uridine | 分子名称: | CHLORIDE ION, GLYCEROL, SULFATE ION, ... | 著者 | Safonova, T.N, Mordkovich, N.N, Manuvera, V.A, Veiko, V.P, Popov, V.O, Polyakov, K.M. | 登録日 | 2014-08-13 | 公開日 | 2014-12-10 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (0.93 Å) | 主引用文献 | High-syn conformation of uridine and asymmetry of the hexameric molecule revealed in the high-resolution structures of Shewanella oneidensis MR-1 uridine phosphorylase in the free form and in complex with uridine. Acta Crystallogr.,Sect.D, 70, 2014
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