7MEB
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![BU of 7meb by Molmil](/molmil-images/mine/7meb) | CDD-1 beta-lactamase in imidazole/MPD 2 minute avibactam complex | 分子名称: | (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, (4S)-2-METHYL-2,4-PENTANEDIOL, Beta-lactamase, ... | 著者 | Smith, C.A, Vakulenko, S.B. | 登録日 | 2021-04-06 | 公開日 | 2022-02-16 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | In Crystallo Time-Resolved Interaction of the Clostridioides difficile CDD-1 enzyme with Avibactam Provides New Insights into the Catalytic Mechanism of Class D beta-lactamases. Acs Infect Dis., 7, 2021
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7MEH
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![BU of 7meh by Molmil](/molmil-images/mine/7meh) | CDD-1 beta-lactamase in imidazole/MPD 60 minute avibactam complex | 分子名称: | (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, (4S)-2-METHYL-2,4-PENTANEDIOL, Beta-lactamase, ... | 著者 | Smith, C.A, Vakulenko, S.B. | 登録日 | 2021-04-06 | 公開日 | 2022-02-16 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | In Crystallo Time-Resolved Interaction of the Clostridioides difficile CDD-1 enzyme with Avibactam Provides New Insights into the Catalytic Mechanism of Class D beta-lactamases. Acs Infect Dis., 7, 2021
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6DO6
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![BU of 6do6 by Molmil](/molmil-images/mine/6do6) | NMR solution structure of wild type apo hFABP1 at 308 K | 分子名称: | Fatty acid-binding protein, liver | 著者 | Scanlon, M.J, Mohanty, B, Doak, B.C, Patil, R. | 登録日 | 2018-06-09 | 公開日 | 2018-12-26 | 最終更新日 | 2024-05-01 | 実験手法 | SOLUTION NMR | 主引用文献 | A ligand-induced structural change in fatty acid-binding protein 1 is associated with potentiation of peroxisome proliferator-activated receptor alpha agonists. J. Biol. Chem., 294, 2019
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4UAB
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![BU of 4uab by Molmil](/molmil-images/mine/4uab) | Crystal structure of a TRAP periplasmic solute binding protein from Chromohalobacter salexigens DSM 3043 (Csal_0678), Target EFI-501078, with bound ethanolamine | 分子名称: | CHLORIDE ION, ETHANOLAMINE, Twin-arginine translocation pathway signal | 著者 | Vetting, M.W, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Sojitra, S, Stead, M, Attonito, J.D, Scott Glenn, A, Chowdhury, S, Evans, B, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | 登録日 | 2014-08-08 | 公開日 | 2014-09-03 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | Experimental strategies for functional annotation and metabolism discovery: targeted screening of solute binding proteins and unbiased panning of metabolomes. Biochemistry, 54, 2015
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6DQ6
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7M1S
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6DFV
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![BU of 6dfv by Molmil](/molmil-images/mine/6dfv) | Mouse diabetogenic TCR 8F10 | 分子名称: | 1,2-ETHANEDIOL, TCR alpha chain, TCR beta chain | 著者 | Wang, Y, Dai, S. | 登録日 | 2018-05-15 | 公開日 | 2019-04-17 | 実験手法 | X-RAY DIFFRACTION (1.71 Å) | 主引用文献 | How C-terminal additions to insulin B-chain fragments create superagonists for T cells in mouse and human type 1 diabetes. Sci Immunol, 4, 2019
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7MLK
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![BU of 7mlk by Molmil](/molmil-images/mine/7mlk) | Crystal structure of human PI3Ka (p110a subunit) with MMV085400 bound to the active site determined at 2.9 angstroms resolution | 分子名称: | 4-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]benzamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | 著者 | Krake, S.H, Martinez, P.D.G, Poggi, M.L, Ferreira, M.S, Aguiar, A.C.C, Souza, G.E, Wenlock, M, Jones, B, Steinbrecher, T, Day, T, McPhail, J, Burke, J, Yeo, T, Mok, S, Uhlemann, A.C, Fidock, D.A, Chen, P, Grodsky, N, Deng, Y.L, Guido, R.V.C, Campbell, S.F, Willis, P.A, Dias, L.C. | 登録日 | 2021-04-28 | 公開日 | 2022-05-04 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.91 Å) | 主引用文献 | Discovery of 2,6-disubstituted pyrazines as potent PI4K inhibitors with antimalarial activity To Be Published
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7MHA
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2YMO
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![BU of 2ymo by Molmil](/molmil-images/mine/2ymo) | Crystal structure of Pf12 tandem 6-cys domains from Plasmodium falciparum | 分子名称: | PF12 | 著者 | Tonkin, M.L, Arredondo, S.A, Loveless, B.C, Grigg, M.E, Miller, L.H, Boulanger, M.J. | 登録日 | 2012-10-09 | 公開日 | 2013-03-27 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Structural and Biochemical Characterization of Plasmodium Falciparum 12 (Pf12) Reveals a Unique Inter-Domain Organization and the Potential for an Antiparallel Arrangement with Pf41 J.Biol.Chem., 288, 2013
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7MRI
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8BE4
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![BU of 8be4 by Molmil](/molmil-images/mine/8be4) | |
8BE5
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![BU of 8be5 by Molmil](/molmil-images/mine/8be5) | Crystal structure of SOS1-KRasG12V-Nanobody22-Nanobody75 | 分子名称: | Isoform 2B of GTPase KRas, Nanobody22, Nanobody75, ... | 著者 | Fischer, B, Wohlkonig, A, Steyaert, J. | 登録日 | 2022-10-21 | 公開日 | 2023-11-01 | 最終更新日 | 2024-08-14 | 実験手法 | X-RAY DIFFRACTION (3.13 Å) | 主引用文献 | Allosteric nanobodies to study the interactions between SOS1 and RAS. Nat Commun, 15, 2024
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8BE2
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7MVZ
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![BU of 7mvz by Molmil](/molmil-images/mine/7mvz) | Single particle cryo-EM structure of the Chaetomium thermophilum Nup188-Nic96-Nup145N complex (Nup188 residues 1-1858; Nic96 residues 240-301; Nup145N residues 640-732) | 分子名称: | Nucleoporin NIC96, Nucleoporin NUP145N, Nucleoporin NUP188 | 著者 | Petrovic, S, Samanta, D, Perriches, T, Bley, C.J, Thierbach, K, Brown, B, Nie, S, Mobbs, G.W, Stevens, T.A, Liu, X, Tomaleri, G.P, Schaus, L, Hoelz, A. | 登録日 | 2021-05-15 | 公開日 | 2022-06-15 | 最終更新日 | 2024-05-29 | 実験手法 | ELECTRON MICROSCOPY (2.81 Å) | 主引用文献 | Architecture of the linker-scaffold in the nuclear pore. Science, 376, 2022
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4ZZL
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![BU of 4zzl by Molmil](/molmil-images/mine/4zzl) | MexR R21W derepressor mutant causing multidrug resistance in P. aeruginosa by mexAB-oprM efflux pump expression | 分子名称: | GLYCEROL, MULTIDRUG RESISTANCE OPERON REPRESSOR | 著者 | Anandapadamanaban, M, Pilstal, R, Ziauddin, J.M.E, Moche, M, Wallner, B, Sunnerhagen, M. | 登録日 | 2015-04-10 | 公開日 | 2016-07-27 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.19 Å) | 主引用文献 | Mutation-Induced Population Shift in the Mexr Conformational Ensemble Disengages DNA Binding: A Novel Mechanism for Marr Family Derepression. Structure, 24, 2016
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2YBO
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![BU of 2ybo by Molmil](/molmil-images/mine/2ybo) | The x-ray structure of the SAM-dependent uroporphyrinogen III methyltransferase NirE from Pseudomonas aeruginosa in complex with SAH | 分子名称: | METHYLTRANSFERASE, S-ADENOSYL-L-HOMOCYSTEINE | 著者 | Storbeck, S, Saha, S, Krausze, J, Klink, B.U, Heinz, D.W, Layer, G. | 登録日 | 2011-03-08 | 公開日 | 2011-06-01 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Crystal Structure of the Heme D1 Biosynthesis Enzyme Nire in Complex with its Substrate Reveals New Insights Into the Catalytic Mechanism of S-Adenosyl-L-Methionine-Dependent Uroporphyrinogen III Methyltransferases. J.Biol.Chem., 286, 2011
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5AEX
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2YOQ
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![BU of 2yoq by Molmil](/molmil-images/mine/2yoq) | Structure of FAM3B PANDER E30 construct | 分子名称: | GLYCEROL, PROTEIN FAM3B | 著者 | Johansson, P, Bernstrom, J, Gorman, T, Oster, L, Backstrom, S, Schweikart, F, Xu, B, Xue, Y, Holmberg Schiavone, L. | 登録日 | 2012-10-26 | 公開日 | 2013-01-30 | 最終更新日 | 2013-02-20 | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | 主引用文献 | Fam3B Pander and Fam3C Ilei Represent a Distinct Class of Signaling Molecules with a Non-Cytokine-Like Fold. Structure, 21, 2013
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4V31
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![BU of 4v31 by Molmil](/molmil-images/mine/4v31) | Cereblon isoform 4 from Magnetospirillum gryphiswaldense in complex with Deoxyuridine | 分子名称: | 2'-DEOXYURIDINE, CEREBLON ISOFORM 4, CITRATE ANION, ... | 著者 | Hartmann, M.D, Lupas, A.N, Hernandez Alvarez, B. | 登録日 | 2014-10-15 | 公開日 | 2014-12-17 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Thalidomide Mimics Uridine Binding to an Aromatic Cage in Cereblon. J.Struct.Biol., 188, 2014
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6D9F
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![BU of 6d9f by Molmil](/molmil-images/mine/6d9f) | Protein 60 with aldehyde deformylating oxidase activity from Kitasatospora setae | 分子名称: | 1,2-ETHANEDIOL, FE (III) ION, Putative VlmB homolog, ... | 著者 | Arenas, R, Wilson, D.K, Mak, W.S, Siegel, J.B. | 登録日 | 2018-04-28 | 公開日 | 2019-05-08 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (2.03 Å) | 主引用文献 | Discovery, Design, and Structural Characterization of Alkane-Producing Enzymes across the Ferritin-like Superfamily. Biochemistry, 59, 2020
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2YXE
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5A78
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![BU of 5a78 by Molmil](/molmil-images/mine/5a78) | Crystal structure of the homing endonuclease I-CvuI in complex with I- CreI target (C1221) in the presence of 2 mM Mg revealing DNA not cleaved | 分子名称: | 24MER DNA, 5'-D(*TP*CP*AP*AP*AP*AP*CP*GP*TP*CP*GP*TP*AP *CP*GP*AP*CP*GP*TP*TP*TP*TP*GP*A)-3', DNA ENDONUCLEASE I-CVUI, ... | 著者 | Molina, R, Redondo, P, LopezMendez, B, Villate, M, Merino, N, Blanco, F.J, Valton, J, Grizot, S, Duchateau, P, Prieto, J, Montoya, G. | 登録日 | 2015-07-03 | 公開日 | 2015-09-23 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Crystal Structure of the Homing Endonuclease I-Cvui Provides a New Template for Genome Modification J.Biol.Chem., 290, 2015
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2YXJ
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![BU of 2yxj by Molmil](/molmil-images/mine/2yxj) | Crystal structure of Bcl-xL in complex with ABT-737 | 分子名称: | 4-{4-[(4'-CHLOROBIPHENYL-2-YL)METHYL]PIPERAZIN-1-YL}-N-{[4-({(1R)-3-(DIMETHYLAMINO)-1-[(PHENYLTHIO)METHYL]PROPYL}AMINO)-3-NITROPHENYL]SULFONYL}BENZAMIDE, Apoptosis regulator Bcl-X, CHLORIDE ION, ... | 著者 | Czabotar, P.E, Lee, E.F, Smith, B.J, Deshayes, K, Zobel, K, Fairlie, W.D, Colman, P.M. | 登録日 | 2007-04-26 | 公開日 | 2007-05-22 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Crystal structure of ABT-737 complexed with Bcl-xL: implications for selectivity of antagonists of the Bcl-2 family Cell Death Differ., 14, 2007
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6DO7
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![BU of 6do7 by Molmil](/molmil-images/mine/6do7) | NMR solution structure of wild type hFABP1 with GW7647 | 分子名称: | Fatty acid-binding protein, liver | 著者 | Scanlon, M.J, Mohanty, B, Doak, B.C, Patil, R. | 登録日 | 2018-06-09 | 公開日 | 2019-01-02 | 最終更新日 | 2024-05-01 | 実験手法 | SOLUTION NMR | 主引用文献 | A ligand-induced structural change in fatty acid-binding protein 1 is associated with potentiation of peroxisome proliferator-activated receptor alpha agonists. J. Biol. Chem., 294, 2019
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