2F1G
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![BU of 2f1g by Molmil](/molmil-images/mine/2f1g) | Cathepsin S in complex with non-covalent 2-(Benzoxazol-2-ylamino)-acetamide | 分子名称: | Cathepsin S, GLYCEROL, N~2~-1,3-BENZOXAZOL-2-YL-3-CYCLOHEXYL-N-{2-[(4-METHOXYPHENYL)AMINO]ETHYL}-L-ALANINAMIDE | 著者 | Spraggon, G, Hornsby, M, Lesley, S.A, Tully, D.C, Harris, J.L, Karenewsky, D.S, Kulathila, R, Clark, K. | 登録日 | 2005-11-14 | 公開日 | 2006-04-04 | 最終更新日 | 2011-07-13 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Synthesis and evaluation of arylaminoethyl amides as noncovalent inhibitors of cathepsin S. Part 3: Heterocyclic P3. Bioorg.Med.Chem.Lett., 16, 2006
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2HHN
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![BU of 2hhn by Molmil](/molmil-images/mine/2hhn) | Cathepsin S in complex with non covalent arylaminoethyl amide. | 分子名称: | Cathepsin S, N-[(1R)-1-[(BENZYLSULFONYL)METHYL]-2-{[(1S)-1-METHYL-2-{[4-(TRIFLUOROMETHOXY)PHENYL]AMINO}ETHYL]AMINO}-2-OXOETHYL]MORPHOLINE-4-CARBOXAMIDE, SULFATE ION | 著者 | Spraggon, G, Hornsby, M, Lesley, S.A, Tully, D.C, Harris, J.L, Karenewsky, D.S, Kulathila, R, Clark, K. | 登録日 | 2006-06-28 | 公開日 | 2007-05-08 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | 主引用文献 | Synthesis and SAR of arylaminoethyl amides as noncovalent inhibitors of cathepsin S: P3 cyclic ethers Bioorg.Med.Chem.Lett., 16, 2006
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2OP3
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![BU of 2op3 by Molmil](/molmil-images/mine/2op3) | The structure of cathepsin S with a novel 2-arylphenoxyacetaldehyde inhibitor derived by the Substrate Activity Screening (SAS) method | 分子名称: | 2,5,8,11,14,17,20,23,26,29,32,35,38,41,44,47,50,53,56,59,62,65,68,71,74,77,80-HEPTACOSAOXADOOCTACONTAN-82-OL, 2-[(2',3',4'-TRIFLUOROBIPHENYL-2-YL)OXY]ETHANOL, Cathepsin S, ... | 著者 | Spraggon, G, Inagaki, H, Tsuruoka, H, Hornsby, M, Lesley, S.A, Ellman, J.A. | 登録日 | 2007-01-26 | 公開日 | 2007-05-22 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Characterization and optimization of selective, nonpeptidic inhibitors of cathepsin S with an unprecedented binding mode. J.Med.Chem., 50, 2007
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1QQR
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![BU of 1qqr by Molmil](/molmil-images/mine/1qqr) | CRYSTAL STRUCTURE OF STREPTOKINASE DOMAIN B | 分子名称: | STREPTOKINASE DOMAIN B | 著者 | Spraggon, G, Zhang, X.X, Ponting, C.P, Fox, V.F, Phillips, C, Smith, R.A.G, Jones, E.Y, Dobson, C, Stuart, D.I. | 登録日 | 1999-06-07 | 公開日 | 1999-06-17 | 最終更新日 | 2023-08-16 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Crystal Structure of Streptokinse Domain B To be Published
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1SJ5
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![BU of 1sj5 by Molmil](/molmil-images/mine/1sj5) | Crystal structure of a duf151 family protein (tm0160) from thermotoga maritima at 2.8 A resolution | 分子名称: | conserved hypothetical protein TM0160 | 著者 | Spraggon, G, Panatazatos, D, Klock, H.E, Wilson, I.A, Woods Jr, V.L, Lesley, S.A, Joint Center for Structural Genomics (JCSG) | 登録日 | 2004-03-02 | 公開日 | 2005-03-01 | 最終更新日 | 2023-08-23 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | On the use of DXMS to produce more crystallizable proteins: structures of the T. maritima proteins TM0160 and TM1171. Protein Sci., 13, 2004
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1I7S
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![BU of 1i7s by Molmil](/molmil-images/mine/1i7s) | ANTHRANILATE SYNTHASE FROM SERRATIA MARCESCENS IN COMPLEX WITH ITS END PRODUCT INHIBITOR L-TRYPTOPHAN | 分子名称: | ANTHRANILATE SYNTHASE, TRPG, TRYPTOPHAN | 著者 | Spraggon, G, Kim, C, Nguyen-Huu, X, Yee, M.-C, Yanofsky, C, Mills, S.E. | 登録日 | 2001-03-10 | 公開日 | 2001-05-16 | 最終更新日 | 2023-08-09 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | The structures of anthranilate synthase of Serratia marcescens crystallized in the presence of (i) its substrates, chorismate and glutamine, and a product, glutamate, and (ii) its end-product inhibitor, L-tryptophan. Proc.Natl.Acad.Sci.USA, 98, 2001
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1I7Q
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![BU of 1i7q by Molmil](/molmil-images/mine/1i7q) | ANTHRANILATE SYNTHASE FROM S. MARCESCENS | 分子名称: | ANTHRANILATE SYNTHASE, BENZOIC ACID, GLUTAMIC ACID, ... | 著者 | Spraggon, G, Kim, C, Nguyen-Huu, X, Yee, M.-C, Yanofsky, C, Mills, S.E. | 登録日 | 2001-03-10 | 公開日 | 2001-05-16 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | The structures of anthranilate synthase of Serratia marcescens crystallized in the presence of (i) its substrates, chorismate and glutamine, and a product, glutamate, and (ii) its end-product inhibitor, L-tryptophan. Proc.Natl.Acad.Sci.USA, 98, 2001
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1FZA
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1FZB
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![BU of 1fzb by Molmil](/molmil-images/mine/1fzb) | CRYSTAL STRUCTURE OF CROSSLINKED FRAGMENT D | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, FIBRINOGEN, ... | 著者 | Spraggon, G, Everse, S.J, Doolittle, R.F. | 登録日 | 1997-08-05 | 公開日 | 1997-12-03 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | Crystal structures of fragment D from human fibrinogen and its crosslinked counterpart from fibrin. Nature, 389, 1997
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5LOZ
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![BU of 5loz by Molmil](/molmil-images/mine/5loz) | |
5OJW
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![BU of 5ojw by Molmil](/molmil-images/mine/5ojw) | S. cerevisiae UBC13 - MMs2 complex | 分子名称: | Ubiquitin-conjugating enzyme E2 13, Ubiquitin-conjugating enzyme variant MMS2 | 著者 | Sharon, I, Rathi, R, Levin-Kravets, O, Attali, I, Prag, G. | 登録日 | 2017-07-24 | 公開日 | 2017-08-02 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | S. cerevisiae UBC13 - MMs2 complex To Be Published
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4Z9S
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![BU of 4z9s by Molmil](/molmil-images/mine/4z9s) | |
5LN1
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![BU of 5ln1 by Molmil](/molmil-images/mine/5ln1) | STRUCTURE OF UBIQUITYLATED-RPN10 FROM YEAST; | 分子名称: | 26S proteasome regulatory subunit RPN10, Polyubiquitin-B | 著者 | Keren-Kaplan, T, Attali, I, Levin-Kravets, O, Prag, G. | 登録日 | 2016-08-02 | 公開日 | 2016-10-19 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (3.14 Å) | 主引用文献 | Structure of ubiquitylated-Rpn10 provides insight into its autoregulation mechanism. Nat Commun, 7, 2016
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1U5T
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![BU of 1u5t by Molmil](/molmil-images/mine/1u5t) | Structure of the ESCRT-II endosomal trafficking complex | 分子名称: | Defective in vacuolar protein sorting; Vps36p, Hypothetical 23.6 kDa protein in YUH1-URA8 intergenic region, appears to be functionally related to SNF7; Snf8p | 著者 | Hierro, A, Sun, J, Rusnak, A.S, Kim, J, Prag, G, Emr, S.D, Hurley, J.H. | 登録日 | 2004-07-28 | 公開日 | 2004-09-21 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (3.6 Å) | 主引用文献 | Structure of ESCRT-II endosomal trafficking complex Nature, 431, 2004
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1FFR
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![BU of 1ffr by Molmil](/molmil-images/mine/1ffr) | CRYSTAL STRUCTURE OF CHITINASE A MUTANT Y390F COMPLEXED WITH HEXA-N-ACETYLCHITOHEXAOSE (NAG)6 | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHITINASE A | 著者 | Papanikolau, Y, Prag, G, Tavlas, G, Vorgias, C.E, Oppenheim, A.B, Petratos, K. | 登録日 | 2000-07-26 | 公開日 | 2001-09-26 | 最終更新日 | 2023-08-09 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | High resolution structural analyses of mutant chitinase A complexes with substrates provide new insight into the mechanism of catalysis. Biochemistry, 40, 2001
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5LP0
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1EIB
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![BU of 1eib by Molmil](/molmil-images/mine/1eib) | CRYSTAL STRUCTURE OF CHITINASE A MUTANT D313A COMPLEXED WITH OCTA-N-ACETYLCHITOOCTAOSE (NAG)8. | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHITINASE A | 著者 | Papanikolau, Y, Prag, G, Tavlas, G, Vorgias, C.E, Oppenheim, A.B, Petratos, K. | 登録日 | 2000-02-25 | 公開日 | 2001-02-25 | 最終更新日 | 2023-08-09 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | High resolution structural analyses of mutant chitinase A complexes with substrates provide new insight into the mechanism of catalysis. Biochemistry, 40, 2001
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1EHN
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![BU of 1ehn by Molmil](/molmil-images/mine/1ehn) | CRYSTAL STRUCTURE OF CHITINASE A MUTANT E315Q COMPLEXED WITH OCTA-N-ACETYLCHITOOCTAOSE (NAG)8. | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHITINASE A | 著者 | Papanikolau, Y, Prag, G, Tavlas, G, Vorgias, C.E, Oppenheim, A.B, Petratos, K. | 登録日 | 2000-02-22 | 公開日 | 2001-02-22 | 最終更新日 | 2023-08-09 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | High resolution structural analyses of mutant chitinase A complexes with substrates provide new insight into the mechanism of catalysis. Biochemistry, 40, 2001
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6CUJ
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6WYS
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![BU of 6wys by Molmil](/molmil-images/mine/6wys) | Lon protease proteolytic domain | 分子名称: | Lon protease homolog, mitochondrial, SULFATE ION | 著者 | Lee, C.C, Spraggon, G. | 登録日 | 2020-05-13 | 公開日 | 2021-04-14 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.229 Å) | 主引用文献 | Structure-Based Design of Selective LONP1 Inhibitors for Probing In Vitro Biology. J.Med.Chem., 64, 2021
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6WZV
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![BU of 6wzv by Molmil](/molmil-images/mine/6wzv) | Lon protease proteolytic domain | 分子名称: | Lon protease homolog, mitochondrial, N-[(1R)-1-borono-3-methylbutyl]-Nalpha-(pyrazine-2-carbonyl)-D-phenylalaninamide, ... | 著者 | Lee, C.C, Spraggon, G. | 登録日 | 2020-05-14 | 公開日 | 2021-04-14 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.51 Å) | 主引用文献 | Structure-Based Design of Selective LONP1 Inhibitors for Probing In Vitro Biology. J.Med.Chem., 64, 2021
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6X27
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![BU of 6x27 by Molmil](/molmil-images/mine/6x27) | |
6X1M
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![BU of 6x1m by Molmil](/molmil-images/mine/6x1m) | |
5FEQ
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![BU of 5feq by Molmil](/molmil-images/mine/5feq) | EGFR KINASE DOMAIN IN COMPLEX WITH A COVALENT AMINOBENZIMIDAZOLE | 分子名称: | Epidermal growth factor receptor, ~{N}-[1-[(3~{R})-1-[4-(dimethylamino)but-2-enoyl]azepan-3-yl]-7-methyl-benzimidazol-2-yl]-2-methyl-pyridine-4-carboxamide | 著者 | DiDonato, M, Spraggon, G. | 登録日 | 2015-12-17 | 公開日 | 2016-07-27 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (3.4 Å) | 主引用文献 | Discovery of (R,E)-N-(7-Chloro-1-(1-[4-(dimethylamino)but-2-enoyl]azepan-3-yl)-1H-benzo[d]imidazol-2-yl)-2-methylisonicotinamide (EGF816), a Novel, Potent, and WT Sparing Covalent Inhibitor of Oncogenic (L858R, ex19del) and Resistant (T790M) EGFR Mutants for the Treatment of EGFR Mutant Non-Small-Cell Lung Cancers. J.Med.Chem., 59, 2016
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5FEE
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![BU of 5fee by Molmil](/molmil-images/mine/5fee) | EGFR kinase domain T790M mutant in complex with a covalent aminobenzimidazole inhibitor. | 分子名称: | Epidermal growth factor receptor, ~{N}-[7-methyl-1-[(3~{R})-1-propanoylazepan-3-yl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide | 著者 | DiDonato, M, Spraggon, G. | 登録日 | 2015-12-16 | 公開日 | 2016-07-27 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Discovery of (R,E)-N-(7-Chloro-1-(1-[4-(dimethylamino)but-2-enoyl]azepan-3-yl)-1H-benzo[d]imidazol-2-yl)-2-methylisonicotinamide (EGF816), a Novel, Potent, and WT Sparing Covalent Inhibitor of Oncogenic (L858R, ex19del) and Resistant (T790M) EGFR Mutants for the Treatment of EGFR Mutant Non-Small-Cell Lung Cancers. J.Med.Chem., 59, 2016
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