8CDW
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2MN2
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![BU of 2mn2 by Molmil](/molmil-images/mine/2mn2) | 3D structure of YmoB, a modulator of biofilm formation | 分子名称: | YmoB | 著者 | Marimon, O, Cordeiro, T.N, Amata, I, Pons, M. | 登録日 | 2014-03-26 | 公開日 | 2015-04-01 | 最終更新日 | 2024-05-15 | 実験手法 | SOLUTION NMR | 主引用文献 | An oxygen-sensitive toxin-antitoxin system. Nat Commun, 7, 2016
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6SBR
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![BU of 6sbr by Molmil](/molmil-images/mine/6sbr) | The crystal structure of PfA-M1 in complex with 7-amino-1,4-dibromo-5,7,8,9-tetrahydrobenzocyclohepten-6-one | 分子名称: | 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, GLYCEROL, ... | 著者 | Salomon, E, Schmitt, M, Mouray, E, McEwen, A.G, Torchy, M, Poussin-Courmontagne, P, Alavi, S, Tarnus, C, Cavarelli, J, Florent, I, Albrecht, S. | 登録日 | 2019-07-22 | 公開日 | 2020-03-25 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.54 Å) | 主引用文献 | Aminobenzosuberone derivatives as PfA-M1 inhibitors: Molecular recognition and antiplasmodial evaluation. Bioorg.Chem., 98, 2020
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7L6H
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6PLI
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![BU of 6pli by Molmil](/molmil-images/mine/6pli) | Crystal Structure of EcDsbA in a complex with purified oxadiazole 11 | 分子名称: | 2-[4-(4-cyano-3-methylphenoxy)phenyl]-N-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]acetamide, COPPER (II) ION, Thiol:disulfide interchange protein DsbA | 著者 | Ilyichova, O.V, Bentley, M, Doak, B, Scanlon, M.J. | 登録日 | 2019-07-01 | 公開日 | 2020-05-06 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.93 Å) | 主引用文献 | Rapid Elaboration of Fragments into Leads by X-ray Crystallographic Screening of Parallel Chemical Libraries (REFiL X ). J.Med.Chem., 63, 2020
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1BE7
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![BU of 1be7 by Molmil](/molmil-images/mine/1be7) | CLOSTRIDIUM PASTEURIANUM RUBREDOXIN C42S MUTANT | 分子名称: | FE (III) ION, RUBREDOXIN | 著者 | Maher, M, Guss, J.M, Wilce, M, Wedd, A.G. | 登録日 | 1998-05-20 | 公開日 | 1998-09-23 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | The Rubredoxin from Clostridium Pasteurianum: Mutation of the Iron Cysteinyl Ligands to Serine. Crystal and Molecular Structures of the Oxidised and Dithionite-Treated Forms of the Cys42Ser Mutant J.Am.Chem.Soc., 120, 1998
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6SEA
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![BU of 6sea by Molmil](/molmil-images/mine/6sea) | Cold-adapted beta-D-galactosidase from Arthrobacter sp. 32cB mutant E441Q in complex with lactose bound in deep mode | 分子名称: | ACETATE ION, Beta-galactosidase, SODIUM ION, ... | 著者 | Rutkiewicz, M, Bujacz, A, Bujacz, G. | 登録日 | 2019-07-29 | 公開日 | 2019-09-11 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.869 Å) | 主引用文献 | Active Site Architecture and Reaction Mechanism Determination of Cold Adapted beta-d-galactosidase fromArthrobactersp. 32cB. Int J Mol Sci, 20, 2019
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5F2T
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![BU of 5f2t by Molmil](/molmil-images/mine/5f2t) | Crystal structure of membrane associated PatA from Mycobacterium smegmatis in complex with palmitate - C 2 space group | 分子名称: | MAGNESIUM ION, PALMITIC ACID, Phosphatidylinositol mannoside acyltransferase | 著者 | Albesa-Jove, D, Svetlikova, Z, Carreras-Gonzalez, A, Tersa, M, Sancho-Vaello, E, Cifuente, J.O, Mikusova, K, Guerin, M.E. | 登録日 | 2015-12-02 | 公開日 | 2016-03-09 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.06 Å) | 主引用文献 | Structural basis for selective recognition of acyl chains by the membrane-associated acyltransferase PatA. Nat Commun, 7, 2016
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5IE9
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7Z58
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![BU of 7z58 by Molmil](/molmil-images/mine/7z58) | Crystal structure of human Cathepsin L in complex with covalently bound Calpeptin | 分子名称: | 1,2-ETHANEDIOL, Calpeptin, Cathepsin L, ... | 著者 | Reinke, P.Y.A, Falke, S, Lieske, J, Ewert, W, Loboda, J, Rahmani Mashhour, A, Hauser, M, Karnicar, K, Usenik, A, Lindic, N, Lach, M, Boehler, H, Beck, T, Cox, R, Chapman, H.N, Hinrichs, W, Turk, D, Guenther, S, Meents, A. | 登録日 | 2022-03-08 | 公開日 | 2023-03-22 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | 主引用文献 | Calpeptin is a potent cathepsin inhibitor and drug candidate for SARS-CoV-2 infections. Commun Biol, 6, 2023
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7Z3T
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![BU of 7z3t by Molmil](/molmil-images/mine/7z3t) | Crystal structure of apo human Cathepsin L | 分子名称: | 1,2-ETHANEDIOL, Cathepsin L, DI(HYDROXYETHYL)ETHER, ... | 著者 | Reinke, P.Y.A, Falke, S, Lieske, J, Ewert, W, Loboda, J, Rahmani Mashhour, A, Hauser, M, Karnicar, K, Usenik, A, Lindic, N, Lach, M, Boehler, H, Beck, T, Cox, R, Chapman, H.N, Hinrichs, W, Turk, D, Guenther, S, Meents, A. | 登録日 | 2022-03-02 | 公開日 | 2023-03-22 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Calpeptin is a potent cathepsin inhibitor and drug candidate for SARS-CoV-2 infections. Commun Biol, 6, 2023
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8CB1
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![BU of 8cb1 by Molmil](/molmil-images/mine/8cb1) | Crystal structure of human lysosomal acid-alpha-glucosidase, GAA, in complex with N-PNT-DNM 15 | 分子名称: | (2R,3R,4R,5S)-2-(hydroxymethyl)-1-[5-(phenanthren-9-ylmethoxy)pentyl]piperidine-3,4,5-triol, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Sulzenbacher, G, Roig-Zamboni, V, Overkleeft, H, Artola, M. | 登録日 | 2023-01-25 | 公開日 | 2023-09-13 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | Fluorescence polarisation activity-based protein profiling for the identification of deoxynojirimycin-type inhibitors selective for lysosomal retaining alpha- and beta-glucosidases. Chem Sci, 14, 2023
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6J6Y
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![BU of 6j6y by Molmil](/molmil-images/mine/6j6y) | FGFR4 D2 - Fab complex | 分子名称: | Fab Heavy chain, Fab light chain, Fibroblast growth factor receptor 4 | 著者 | Takahashi, M, Hanzawa, H. | 登録日 | 2019-01-16 | 公開日 | 2019-08-07 | 最終更新日 | 2019-10-16 | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | 主引用文献 | Preclinical Development of U3-1784, a Novel FGFR4 Antibody Against Cancer, and Avoidance of Its On-target Toxicity. Mol.Cancer Ther., 18, 2019
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8CNI
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![BU of 8cni by Molmil](/molmil-images/mine/8cni) | PHT1 in the outward facing conformation, bound to Sb27 | 分子名称: | Solute carrier family 15 member 4, Sybody 27 | 著者 | Custodio, T, Killer, M, Loew, C. | 登録日 | 2023-02-23 | 公開日 | 2023-09-27 | 最終更新日 | 2024-02-28 | 実験手法 | ELECTRON MICROSCOPY (3.35 Å) | 主引用文献 | Molecular basis of TASL recruitment by the peptide/histidine transporter 1, PHT1. Nat Commun, 14, 2023
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7KPL
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![BU of 7kpl by Molmil](/molmil-images/mine/7kpl) | Crystal structure of hEphB1 in apo form | 分子名称: | Ephrin type-B receptor 1 | 著者 | Ahmed, M, Wang, P, Sadek, H. | 登録日 | 2020-11-11 | 公開日 | 2021-03-10 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2.705 Å) | 主引用文献 | Identification of tetracycline combinations as EphB1 tyrosine kinase inhibitors for treatment of neuropathic pain. Proc.Natl.Acad.Sci.USA, 118, 2021
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8CB6
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![BU of 8cb6 by Molmil](/molmil-images/mine/8cb6) | Crystal structure of human lysosomal acid-alpha-glucosidase, GAA, in covalent complex with TAMRA tagged 1,6-Epi-cylcophellitol aziridine activity based probe | 分子名称: | (1S,2R,3R,4R,5R)-5-[8-[4-(4-azanylbutyl)-1,2,3-triazol-1-yl]octylamino]-4-(hydroxymethyl)cyclohexane-1,2,3-triol, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Sulzenbacher, G, Roig-Zamboni, V, Overkleeft, H, Artola, M. | 登録日 | 2023-01-25 | 公開日 | 2023-09-13 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Fluorescence polarisation activity-based protein profiling for the identification of deoxynojirimycin-type inhibitors selective for lysosomal retaining alpha- and beta-glucosidases. Chem Sci, 14, 2023
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1U41
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![BU of 1u41 by Molmil](/molmil-images/mine/1u41) | Crystal structure of YLGV mutant of dimerisation domain of NF-kB p50 transcription factor | 分子名称: | Nuclear factor NF-kappa-B p105 subunit | 著者 | Chirgadze, D.Y, Demydchuk, M, Becker, M, Moran, S, Paoli, M. | 登録日 | 2004-07-23 | 公開日 | 2004-08-17 | 最終更新日 | 2023-08-23 | 実験手法 | X-RAY DIFFRACTION (2.202 Å) | 主引用文献 | Snapshot of Protein Structure Evolution Reveals Conservation of Functional Dimerization through Intertwined Folding Structure, 12, 2004
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6SE9
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![BU of 6se9 by Molmil](/molmil-images/mine/6se9) | Cold-adapted beta-D-galactosidase from Arthrobacter sp. 32cB mutant E441Q in complex with lactose bound in shallow mode | 分子名称: | ACETATE ION, Beta-galactosidase, FORMIC ACID, ... | 著者 | Rutkiewicz, M, Bujacz, A, Bujacz, G. | 登録日 | 2019-07-29 | 公開日 | 2019-09-11 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.965 Å) | 主引用文献 | Active Site Architecture and Reaction Mechanism Determination of Cold Adapted beta-d-galactosidase fromArthrobactersp. 32cB. Int J Mol Sci, 20, 2019
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1WNW
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![BU of 1wnw by Molmil](/molmil-images/mine/1wnw) | D136N mutant of Heme Oxygenase from Corynebacterium diphtheriae (HmuO) | 分子名称: | Heme oxygenase, IODIDE ION, PROTOPORPHYRIN IX CONTAINING FE, ... | 著者 | Unno, M, Matsui, T, Ikeda-Saito, M. | 登録日 | 2004-08-10 | 公開日 | 2004-11-09 | 最終更新日 | 2024-05-29 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Roles of Distal Asp in Heme Oxygenase from Corynebacterium diphtheriae, HmuO: A WATER-DRIVEN OXYGEN ACTIVATION MECHANISM J.Biol.Chem., 280, 2005
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7KPM
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![BU of 7kpm by Molmil](/molmil-images/mine/7kpm) | Crystal structure of hEphB1 bound with ADP | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, Ephrin type-B receptor 1 | 著者 | Ahmed, M, Wang, P, Sadek, H. | 登録日 | 2020-11-11 | 公開日 | 2021-03-10 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (1.608 Å) | 主引用文献 | Identification of tetracycline combinations as EphB1 tyrosine kinase inhibitors for treatment of neuropathic pain. Proc.Natl.Acad.Sci.USA, 118, 2021
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1WSS
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![BU of 1wss by Molmil](/molmil-images/mine/1wss) | Human Factor Viia-Tissue Factor in Complex with peptide-mimetic inhibitor that has two charged groups in P2 and P4 | 分子名称: | CALCIUM ION, Coagulation factor VII, N-[(3-CARBOXYBENZYL)SULFONYL]ISOLEUCYL-N~1~-{4-[AMINO(IMINO)METHYL]BENZYL}-5-IMINOORNITHINAMIDE, ... | 著者 | Kadono, S, Sakamoto, A, Kikuchi, Y, Oh-Eda, M, Yabuta, N, Koga, T, Hattori, K, Shiraishi, T, Haramura, M, Kodama, H, Ono, Y, Esaki, T, Sato, H, Watanabe, Y, Itoh, S, Ohta, M, Kozono, T. | 登録日 | 2004-11-10 | 公開日 | 2005-11-10 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Structure of human factor VIIa/tissue factor in complex with a peptide-mimetic inhibitor: high selectivity against thrombin by introducing two charged groups in P2 and P4. Acta Crystallogr.,Sect.F, 61, 2005
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8CAN
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3O6J
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![BU of 3o6j by Molmil](/molmil-images/mine/3o6j) | Crystal Structure of 4-Chlorocatechol Dioxygenase from Rhodococcus opacus 1CP in complex with hydroxyquinol | 分子名称: | (2R)-3-(PHOSPHONOOXY)-2-(TETRADECANOYLOXY)PROPYL PALMITATE, CHLORIDE ION, Chlorocatechol 1,2-dioxygenase, ... | 著者 | Ferraroni, M, Briganti, F, Kolomitseva, M, Golovleva, L. | 登録日 | 2010-07-29 | 公開日 | 2011-08-17 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | X-ray structures of 4-chlorocatechol 1,2-dioxygenase adducts with substituted catechols: new perspectives in the molecular basis of intradiol ring cleaving dioxygenases specificity. J. Struct. Biol., 181, 2013
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4MER
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![BU of 4mer by Molmil](/molmil-images/mine/4mer) | Crystal structure of the novel protein and virulence factor sHIP (Q99XU0) from Streptococcus pyogenes | 分子名称: | streptococcal Histidine-rich glycoprotein Interacting Protein | 著者 | Wisniewska, M, Happonen, L, Frick, M.-I, Bjorck, L, Streicher, W, Malmstrom, J, Wikstrom, M. | 登録日 | 2013-08-27 | 公開日 | 2014-05-21 | 最終更新日 | 2014-07-16 | 実験手法 | X-RAY DIFFRACTION (2.41 Å) | 主引用文献 | Functional and Structural Properties of a Novel Protein and Virulence Factor (Protein sHIP) in Streptococcus pyogenes. J.Biol.Chem., 289, 2014
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1WV7
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![BU of 1wv7 by Molmil](/molmil-images/mine/1wv7) | Human Factor Viia-Tissue Factor Complexed with ethylsulfonamide-D-5-propoxy-Trp-Gln-p-aminobenzamidine | 分子名称: | CALCIUM ION, Coagulation factor VII, N-(ETHYLSULFONYL)-5-PROPOXY-L-TRYPTOPHYL-N~1~-{4-[AMINO(IMINO)METHYL]BENZYL}-L-GLUTAMAMIDE, ... | 著者 | Kadono, S, Sakamoto, A, Kikuchi, Y, Oh-eda, M, Yabuta, N, Yoshihashi, K, Kitazawa, T, Suzuki, T, Koga, T, Hattori, K, Shiraishi, T, Haramura, M, Kodama, H, Ono, Y, Esaki, T, Sato, H, Watanabe, Y, Itoh, S, Ohta, M, Kozono, T. | 登録日 | 2004-12-11 | 公開日 | 2005-12-11 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Structure-based design of P3 moieties in the peptide mimetic factor VIIa inhibitor Biochem.Biophys.Res.Commun., 327, 2005
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