5AR2
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![BU of 5ar2 by Molmil](/molmil-images/mine/5ar2) | RIP2 Kinase Catalytic Domain (1 - 310) | 分子名称: | CALCIUM ION, RECEPTOR-INTERACTING SERINE/THREONINE-PROTEIN KINASE 2 | 著者 | Charnley, A.K, Convery, M.A, Lakdawala Shah, A, Jones, E, Hardwicke, P, Bridges, A, Votta, B.J, Gough, P.J, Marquis, R.W, Bertin, J, Casillas, L. | 登録日 | 2015-09-23 | 公開日 | 2015-10-21 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.44 Å) | 主引用文献 | Crystal Structures of Human Rip2 Kinase Catalytic Domain Complexed with ATP-Competitive Inhibitors: Foundations for Understanding Inhibitor Selectivity. Bioorg.Med.Chem., 23, 2015
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7MY5
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![BU of 7my5 by Molmil](/molmil-images/mine/7my5) | The crystal structure of wild type PA endonuclease (2009/H1N1/CALIFORNIA) in complex with SJ000988503 | 分子名称: | 5-hydroxy-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-2-(2-methylphenyl)-6-oxo-1,6-dihydropyrimidine-4-carboxamide, Hexa Vinylpyrrolidone K15, MANGANESE (II) ION, ... | 著者 | Cuypers, M.G, Slavish, J.P, Rankovic, Z, White, S.W. | 登録日 | 2021-05-20 | 公開日 | 2022-05-25 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.38 Å) | 主引用文献 | The crystal structure of wild type PA endonuclease (2009/H1N1/CALIFORNIA) in complex with SJ000988503 To Be Published
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5Y51
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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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3EQY
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1E5N
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![BU of 1e5n by Molmil](/molmil-images/mine/1e5n) | E246C mutant of P fluorescens subsp. cellulosa xylanase A in complex with xylopentaose | 分子名称: | CALCIUM ION, ENDO-1,4-BETA-XYLANASE A, beta-D-xylopyranose-(1-4)-beta-D-xylopyranose-(1-4)-beta-D-xylopyranose-(1-4)-beta-D-xylopyranose-(1-4)-beta-D-xylopyranose | 著者 | Lo Leggio, L, Jenkins, J.A, Harris, G.W, Pickersgill, R.W. | 登録日 | 2000-07-27 | 公開日 | 2000-12-08 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | 主引用文献 | X-ray crystallographic study of xylopentaose binding to Pseudomonas fluorescens xylanase A. Proteins, 41, 2000
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8S32
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![BU of 8s32 by Molmil](/molmil-images/mine/8s32) | GroEL with bound GroTAC peptide | 分子名称: | Chaperonin GroEL, GroTAC | 著者 | Wroblewski, K, Izert-Nowakowska, M.A, Goral, T.K, Klimecka, M.M, Kmiecik, S, Gorna, M.W. | 登録日 | 2024-02-19 | 公開日 | 2024-02-28 | 実験手法 | ELECTRON MICROSCOPY (2.45 Å) | 主引用文献 | Depletion of essential GroEL protein in Escherichia coli using Clp-Interacting Peptidic Protein Erasers (CLIPPERs) To Be Published
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3IOV
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2DTU
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![BU of 2dtu by Molmil](/molmil-images/mine/2dtu) | Crystal structure of the beta hairpin loop deletion variant of RB69 gp43 in complex with DNA containing an abasic site analog | 分子名称: | 5'-D(*CP*GP*(3DR)P*CP*TP*TP*AP*TP*GP*AP*CP*AP*GP*CP*CP*GP*CP*G)-3', 5'-D(*GP*CP*GP*GP*CP*TP*GP*TP*CP*AP*TP*AP*AP*GP*A)-3', DNA polymerase | 著者 | Aller, P, Hogg, M, Konigsberg, W, Wallace, S.S, Doublie, S. | 登録日 | 2006-07-15 | 公開日 | 2006-12-05 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.37 Å) | 主引用文献 | Structural and biochemical investigation of the role in proofreading of a beta hairpin loop found in the exonuclease domain of a replicative DNA polymerase of the B family. J.Biol.Chem., 282, 2007
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3II9
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![BU of 3ii9 by Molmil](/molmil-images/mine/3ii9) | Crystal structure of glutaryl-coa dehydrogenase from Burkholderia pseudomallei at 1.73 Angstrom | 分子名称: | DI(HYDROXYETHYL)ETHER, GLYCEROL, Glutaryl-CoA dehydrogenase, ... | 著者 | Ismagilov, R.F, Li, L, Du, W.B, Staker, B, Accelerated Technologies Center for Gene to 3D Structure (ATCG3D), Seattle Structural Genomics Center for Infectious Disease (SSGCID) | 登録日 | 2009-07-31 | 公開日 | 2009-12-15 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (1.74 Å) | 主引用文献 | User-loaded SlipChip for equipment-free multiplexed nanoliter-scale experiments. J.Am.Chem.Soc., 132, 2010
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5Y2W
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![BU of 5y2w by Molmil](/molmil-images/mine/5y2w) | Structure of Synechocystis PCC6803 CcmR regulatory domain in complex with 2-PG | 分子名称: | 2-PHOSPHOGLYCOLIC ACID, Rubisco operon transcriptional regulator | 著者 | Jiang, Y.L, Wang, X.P, Sun, H, Cheng, W, Cao, D.D, Han, S.J, Li, W.F, Chen, Y, Zhou, C.Z. | 登録日 | 2017-07-27 | 公開日 | 2017-12-27 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Coordinating carbon and nitrogen metabolic signaling through the cyanobacterial global repressor NdhR. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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7N68
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![BU of 7n68 by Molmil](/molmil-images/mine/7n68) | The crystal structure of wild type PA endonuclease (2009/H1N1/CALIFORNIA) in complex with SJ000988288 | 分子名称: | Hexa Vinylpyrrolidone K15, MANGANESE (II) ION, Polymerase acidic protein,Polymerase acidic protein, ... | 著者 | Cuypers, M.G, Slavish, J.P, Rankovic, Z, White, S.W. | 登録日 | 2021-06-07 | 公開日 | 2022-06-08 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.26 Å) | 主引用文献 | Chemical scaffold recycling: Structure-guided conversion of an HIV integrase inhibitor into a potent influenza virus RNA-dependent RNA polymerase inhibitor designed to minimize resistance potential. Eur.J.Med.Chem., 247, 2023
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5YFP
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![BU of 5yfp by Molmil](/molmil-images/mine/5yfp) | Cryo-EM Structure of the Exocyst Complex | 分子名称: | Exocyst complex component EXO70, Exocyst complex component EXO84, Exocyst complex component SEC10, ... | 著者 | Mei, K, Li, Y, Wang, S, Shao, G, Wang, J, Ding, Y, Luo, G, Yue, P, Liu, J.J, Wang, X, Dong, M.Q, Guo, W, Wang, H.W. | 登録日 | 2017-09-21 | 公開日 | 2018-01-31 | 最終更新日 | 2024-03-27 | 実験手法 | ELECTRON MICROSCOPY (4.4 Å) | 主引用文献 | Cryo-EM structure of the exocyst complex Nat. Struct. Mol. Biol., 25, 2018
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5E6B
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![BU of 5e6b by Molmil](/molmil-images/mine/5e6b) | Glucocorticoid receptor DNA binding domain - RELB NF-kB response element complex | 分子名称: | DNA (5'-D(*CP*CP*GP*GP*GP*GP*AP*AP*TP*TP*CP*CP*GP*CP*CP*G)-3'), DNA (5'-D(*CP*GP*GP*CP*GP*GP*AP*AP*TP*TP*CP*CP*CP*CP*GP*G)-3'), Glucocorticoid receptor, ... | 著者 | Hudson, W.H, Rye, E.A, Herbst, A.G, Ortlund, E.A. | 登録日 | 2015-10-09 | 公開日 | 2017-02-08 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | 主引用文献 | Cryptic glucocorticoid receptor-binding sites pervade genomic NF-kappa B response elements. Nat Commun, 9, 2018
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4LVF
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![BU of 4lvf by Molmil](/molmil-images/mine/4lvf) | Fragment-based Identification of Amides Derived From trans-2-(Pyridin-3-yl)cyclopropanecarboxylic Acid as Potent Inhibitors of Human Nicotinamide Phosphoribosyltransferase (NAMPT) | 分子名称: | (1S,2S)-2-phenyl-N-(pyridin-4-yl)cyclopropanecarboxamide, 1,2-ETHANEDIOL, Nicotinamide phosphoribosyltransferase, ... | 著者 | Giannetti, A.M, Zheng, X, Skelton, N, Wang, W, Bravo, B, Feng, Y, Gunzner-Toste, J, Ho, Y, Hua, R, Wang, C, Zhao, Q, Liederer, B.M, Liu, Y, O'Brien, T, Oeh, J, Sampath, D, Shen, Y, Wang, L, Wu, H, Xiao, Y, Yuen, P, Zak, M, Zhao, G, Dragovich, P.S. | 登録日 | 2013-07-26 | 公開日 | 2013-09-25 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Identification of amides derived from 1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid as potent inhibitors of human nicotinamide phosphoribosyltransferase (NAMPT). Bioorg.Med.Chem.Lett., 23, 2013
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7N4Z
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7N53
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![BU of 7n53 by Molmil](/molmil-images/mine/7n53) | Complex structure of PAP4 with papaverine | 分子名称: | 1-(3,4-DIMETHOXYBENZYL)-6,7-DIMETHOXYISOQUINOLINE, GLYCEROL, PAP4, ... | 著者 | Kim, W, Zhang, Y. | 登録日 | 2021-06-04 | 公開日 | 2022-06-29 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Using fungible biosensors to evolve improved alkaloid biosyntheses. Nat.Chem.Biol., 18, 2022
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8IDS
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![BU of 8ids by Molmil](/molmil-images/mine/8ids) | Crystal structure of Bacillus sp. AHU2216 GH13_31 Alpha-glucosidase E256Q/N258P in complex with maltotriose | 分子名称: | Alpha-glucosidase, CALCIUM ION, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose | 著者 | Auiewiriyanukul, W, Saburi, W, Yu, J, Kato, K, Yao, M, Mori, H. | 登録日 | 2023-02-14 | 公開日 | 2023-05-03 | 最終更新日 | 2024-05-29 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Alteration of Substrate Specificity and Transglucosylation Activity of GH13_31 alpha-Glucosidase from Bacillus sp. AHU2216 through Site-Directed Mutagenesis of Asn258 on beta → alpha Loop 5. Molecules, 28, 2023
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3EQS
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7N54
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7N4W
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8IBK
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![BU of 8ibk by Molmil](/molmil-images/mine/8ibk) | Crystal structure of Bacillus sp. AHU2216 GH13_31 Alpha-glucosidase E256Q/N258G in complex with maltotriose | 分子名称: | Alpha-glucosidase, CALCIUM ION, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose | 著者 | Auiewiriyanukul, W, Saburi, W, Yu, J, Kato, K, Yao, M, Mori, H. | 登録日 | 2023-02-10 | 公開日 | 2023-05-03 | 最終更新日 | 2024-05-29 | 実験手法 | X-RAY DIFFRACTION (1.69 Å) | 主引用文献 | Alteration of Substrate Specificity and Transglucosylation Activity of GH13_31 alpha-Glucosidase from Bacillus sp. AHU2216 through Site-Directed Mutagenesis of Asn258 on beta → alpha Loop 5. Molecules, 28, 2023
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7MZP
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![BU of 7mzp by Molmil](/molmil-images/mine/7mzp) | Crystal structure of the UclD lectin-binding domain | 分子名称: | F17-like fimbril adhesin subunit UclD, IODIDE ION | 著者 | Ve, T, Lo, A.W, Schembri, M.A, Kobe, B. | 登録日 | 2021-05-24 | 公開日 | 2022-07-06 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Ucl fimbriae regulation and glycan receptor specificity contribute to gut colonisation by extra-intestinal pathogenic Escherichia coli. Plos Pathog., 18, 2022
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5YHP
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![BU of 5yhp by Molmil](/molmil-images/mine/5yhp) | Proline iminopeptidase from Psychrophilic yeast glaciozyma antarctica | 分子名称: | CITRATE ANION, Cold active proline iminopeptidase | 著者 | Rodzli, N.A, Kamaruddin, S, Jonet, A, Seman, W.M.K.W, Tab, M.M, Minor, N, Jaafar, N.R, Mahadi, N.M, Murad, A.M.A, Bakar, F.D.A, Illias, R.M.D. | 登録日 | 2017-09-29 | 公開日 | 2017-10-25 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.393 Å) | 主引用文献 | Proline iminopeptidase from Psychrophilic yeast glaciozyma antarctica To Be Published
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4LW1
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![BU of 4lw1 by Molmil](/molmil-images/mine/4lw1) | Fragment-Based Discovery of a Potent Inhibitor of Replication Protein A Protein-Protein Interactions | 分子名称: | 5-(3-chloro-4-fluorophenyl)furan-2-carboxylic acid, Replication protein A 70 kDa DNA-binding subunit | 著者 | Feldkamp, M.D, Frank, A.O, Kennedy, J.P, Waterson, A.G, Olejnczak, E.O, Pelz, N.F, Patrone, J.D, Vangamudi, B, Camper, D.V, Rossanese, O.W, Fesik, S.W, Chazin, W.J. | 登録日 | 2013-07-26 | 公開日 | 2013-12-11 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.631 Å) | 主引用文献 | Discovery of a potent inhibitor of replication protein a protein-protein interactions using a fragment-linking approach. J.Med.Chem., 56, 2013
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