6F1X
 
 | | Complex between MTH1 and compound 7 (a 7-azaindole-2-amide derivative) | | 分子名称: | 4-(3-chlorophenyl)-~{N}-ethyl-1~{H}-pyrrolo[2,3-b]pyridine-2-carboxamide, 7,8-dihydro-8-oxoguanine triphosphatase, SULFATE ION | | 著者 | Viklund, J, Talagas, A, Tresaugues, L, Andersson, M, Ericsson, U, Forsblom, R, Ginman, T, Hallberg, K, Lindstrom, J, Persson, L, Silvander, C, Rahm, F. | | 登録日 | 2017-11-23 | | 公開日 | 2018-03-07 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Creation of a Novel Class of Potent and Selective MutT Homologue 1 (MTH1) Inhibitors Using Fragment-Based Screening and Structure-Based Drug Design.
J. Med. Chem., 61, 2018
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1RTH
 | | HIGH RESOLUTION STRUCTURES OF HIV-1 RT FROM FOUR RT-INHIBITOR COMPLEXES | | 分子名称: | 6,11-DIHYDRO-11-ETHYL-6-METHYL-9-NITRO-5H-PYRIDO[2,3-B][1,5]BENZODIAZEPIN-5-ONE, HIV-1 REVERSE TRANSCRIPTASE | | 著者 | Ren, J, Esnouf, R, Garman, E, Somers, D, Ross, C, Kirby, I, Keeling, J, Darby, G, Jones, Y, Stuart, D, Stammers, D. | | 登録日 | 1995-05-03 | | 公開日 | 1996-04-03 | | 最終更新日 | 2024-06-05 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | High resolution structures of HIV-1 RT from four RT-inhibitor complexes.
Nat.Struct.Biol., 2, 1995
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6F23
 | | Complex between MTH1 and compound 16 (a 4-amino-7-azaindole derivative) | | 分子名称: | 4-[(2~{R})-2-phenylpyrrolidin-1-yl]-1~{H}-pyrrolo[2,3-b]pyridine, 7,8-dihydro-8-oxoguanine triphosphatase, GLYCEROL, ... | | 著者 | Viklund, J, Tresaugues, L, Talagas, A, Andersson, M, Ericsson, U, Forsblom, R, Ginman, T, Hallberg, K, Lindstrom, J, Persson, L, Silvander, C, Rahm, F. | | 登録日 | 2017-11-23 | | 公開日 | 2018-03-07 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.84 Å) | | 主引用文献 | Creation of a Novel Class of Potent and Selective MutT Homologue 1 (MTH1) Inhibitors Using Fragment-Based Screening and Structure-Based Drug Design.
J. Med. Chem., 61, 2018
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1USZ
 | | SeMet AfaE-3 adhesin from Escherichia Coli | | 分子名称: | AFIMBRIAL ADHESIN AFA-III, CHLORIDE ION, SULFATE ION | | 著者 | Anderson, K.L, Billington, J, Pettigrew, D, Cota, E, Roversi, P, Simpson, P, Chen, H.A, Urvil, P, Dumerle, L, Barlow, P, Medof, E, Smith, R.A.G, Nowicki, B, Le Bouguenec, C, Lea, S.M, Matthews, S. | | 登録日 | 2003-12-02 | | 公開日 | 2004-08-31 | | 最終更新日 | 2011-07-13 | | 実験手法 | X-RAY DIFFRACTION (3.28 Å) | | 主引用文献 | High Resolution Studies of the Afa/Dr Adhesin Drae and its Interaction with Chloramphenicol
J.Biol.Chem., 279, 2004
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5UE3
 | | proMMP-9desFnII | | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, Matrix metalloproteinase-9, ... | | 著者 | Alexander, R.S, Spurlino, J, Milligan, C. | | 登録日 | 2016-12-29 | | 公開日 | 2017-09-13 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.599 Å) | | 主引用文献 | Discovery of a highly selective chemical inhibitor of matrix metalloproteinase-9 (MMP-9) that allosterically inhibits zymogen activation.
J. Biol. Chem., 292, 2017
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5UG3
 | | NMR SOLUTION STRUCTURE OF ALPHA-CONOTOXIN GID MUTANT A10V | | 分子名称: | Alpha-conotoxin GID | | 著者 | Hussein, A.K, Leffler, A.E, Zebroski, H.A, Powell, S.R, Kuryatov, A, Filipenko, P, Gorson, J, Heizmann, A, Lyskov, S, Nicke, A, Lindstrom, J, Rudy, B, Bonneau, R, Holford, M, Poget, S.F. | | 登録日 | 2017-01-06 | | 公開日 | 2017-09-06 | | 最終更新日 | 2023-06-14 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Discovery of peptide ligands through docking and virtual screening at nicotinic acetylcholine receptor homology models.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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5UG5
 | | NMR SOLUTION STRUCTURE OF THE ALPHA-CONOTOXIN GID MUTANT V13Y | | 分子名称: | Alpha-conotoxin GID | | 著者 | Hussein, A, Leffler, A.E, Kuryatov, A, Zebroski, H.A, Powell, S.R, Filipenko, P, Gorson, J, Heizmann, A, Lyskov, S, Nicke, A, Lindstrom, J, Rudy, B, Bonneau, R, Holford, M, Poget, S.F. | | 登録日 | 2017-01-06 | | 公開日 | 2017-09-06 | | 最終更新日 | 2023-06-14 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Discovery of peptide ligands through docking and virtual screening at nicotinic acetylcholine receptor homology models.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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1IZI
 | | Inhibitor of HIV protease with unusual binding mode potently inhibiting multi-resistant protease mutants | | 分子名称: | CHLORIDE ION, proteinase, {(1S)-1-BENZYL-4-[3-CARBAMOYL-1-(1-CARBAMOYL-2-PHENYL-ETHYLCARBAMOYL)-(S)-PROPYLCARBAMOYL]-2-OXO-5-PHENYL-PENTYL}-CARBAMIC ACID TERT-BUTYL ESTER | | 著者 | Weber, J, Mesters, J.R, Lepsik, M, Prejdova, J, Svec, M, Sponarova, J, Mlcochova, P, Skalicka, K, Strisovsky, K, Uhlikova, T, Soucek, M, Machala, L, Stankova, M, Vondrasek, J, Klimkait, T, Kraeusslich, H.-G, Hilgenfeld, R, Konvalinka, J. | | 登録日 | 2002-10-02 | | 公開日 | 2002-12-23 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | | 主引用文献 | Unusual Binding Mode of an HIV-1 Protease Inhibitor Explains its Potency against Multi-drug-resistant Virus Strains
J.MOL.BIOL., 324, 2002
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5UE4
 | | proMMP-9desFnII complexed to JNJ0966 INHIBITOR | | 分子名称: | CALCIUM ION, Matrix metalloproteinase-9, SULFATE ION, ... | | 著者 | Alexander, R.S, Spurlino, J, Milligan, C. | | 登録日 | 2016-12-29 | | 公開日 | 2017-09-13 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Discovery of a highly selective chemical inhibitor of matrix metalloproteinase-9 (MMP-9) that allosterically inhibits zymogen activation.
J. Biol. Chem., 292, 2017
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1UT2
 | | AfaE-3 adhesin from Escherichia Coli | | 分子名称: | AFIMBRIAL ADHESIN AFA-III, SULFATE ION | | 著者 | Anderson, K.L, Billington, J, Pettigrew, D, Cota, E, Roversi, P, Simpson, P, Chen, H.A, Urvil, P, Dumerle, L, Barlow, P, Medof, E, Smith, R.A.G, Nowicki, B, Le Bouguenec, C, Lea, S.M, Matthews, S. | | 登録日 | 2003-12-02 | | 公開日 | 2004-08-31 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (3.3 Å) | | 主引用文献 | High Resolution Studies of the Afa/Dr Adhesin Drae and its Interaction with Chloramphenicol
J.Biol.Chem., 279, 2004
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5FGT
 | | Thaumatin solved by native sulphur-SAD using free-electron laser radiation | | 分子名称: | L(+)-TARTARIC ACID, Thaumatin-1 | | 著者 | Nass, K.J, Meinhart, A, Barends, T.R.M, Foucar, L, Gorel, A, Aquila, A, Botha, S, Doak, R.B, Koglin, J, Liang, M, Shoeman, R.L, Williams, G.K, Boutet, S, Schlichting, I. | | 登録日 | 2015-12-21 | | 公開日 | 2016-06-08 | | 最終更新日 | 2018-11-14 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Protein structure determination by single-wavelength anomalous diffraction phasing of X-ray free-electron laser data.
Iucrj, 3, 2016
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5FGX
 | | Thaumatin solved by native sulphur SAD using synchrotron radiation | | 分子名称: | L(+)-TARTARIC ACID, Thaumatin-1 | | 著者 | Nass, K.J, Meinhart, A, Barends, T.R.M, Foucar, L, Gorel, A, Aquila, A, Botha, S, Doak, R.B, Koglin, J, Liang, M, Shoeman, R.L, Williams, G.J, Boutet, S, Schlichting, I. | | 登録日 | 2015-12-21 | | 公開日 | 2016-06-08 | | 実験手法 | X-RAY DIFFRACTION (2.134 Å) | | 主引用文献 | Protein structure determination by single-wavelength anomalous diffraction phasing of X-ray free-electron laser data.
Iucrj, 3, 2016
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1JQT
 | | Fitting of L11 protein in the low resolution cryo-EM map of E.coli 70S ribosome | | 分子名称: | 50S Ribosomal protein L11 | | 著者 | Agrawal, R.K, Linde, J, Segupta, J, Nierhaus, K.H, Frank, J. | | 登録日 | 2001-08-07 | | 公開日 | 2001-09-07 | | 最終更新日 | 2024-02-07 | | 実験手法 | ELECTRON MICROSCOPY (18 Å) | | 主引用文献 | Localization of L11 protein on the ribosome and elucidation of its involvement in EF-G-dependent translocation.
J.Mol.Biol., 311, 2001
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1USQ
 | | Complex of E. Coli DraE adhesin with Chloramphenicol | | 分子名称: | 1,2-ETHANEDIOL, CHLORAMPHENICOL, DR HEMAGGLUTININ STRUCTURAL SUBUNIT, ... | | 著者 | Anderson, K.L, Billington, J, Pettigrew, D, Cota, E, Roversi, P, Simpson, P, Chen, H.A, Urvil, P, Dumerle, L, Barlow, P, Medof, E, Smith, R.A.G, Nowicki, B, Le Bouguenec, C, Lea, S.M, Matthews, S. | | 登録日 | 2003-11-27 | | 公開日 | 2004-08-31 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | High Resolution Studies of the Afa/Dr Adhesin Drae and its Interaction with Chloramphenicol
J.Biol.Chem., 279, 2004
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1UT1
 | | DraE adhesin from Escherichia Coli | | 分子名称: | 1,2-ETHANEDIOL, DR HEMAGGLUTININ STRUCTURAL SUBUNIT, SULFATE ION | | 著者 | Anderson, K.L, Billington, J, Pettigrew, D, Cota, E, Roversi, P, Simpson, P, Chen, H.A, Urvil, P, Dumerle, L, Barlow, P, Medof, E, Smith, R.A.G, Nowicki, B, Le Bouguenec, C, Lea, S.M, Matthews, S. | | 登録日 | 2003-12-02 | | 公開日 | 2004-08-31 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | High Resolution Studies of the Afa/Dr Adhesin Drae and its Interaction with Chloramphenicol
J.Biol.Chem., 279, 2004
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1IZH
 | | Inhibitor of HIV protease with unusual binding mode potently inhibiting multi-resistant protease mutants | | 分子名称: | proteinase, {(1S)-1-BENZYL-4-[3-CARBAMOYL-1-(1-CARBAMOYL-2-PHENYL-ETHYLCARBAMOYL)-(S)-PROPYLCARBAMOYL]-2-OXO-5-PHENYL-PENTYL}-CARBAMIC ACID TERT-BUTYL ESTER | | 著者 | Weber, J, Mesters, J.R, Lepsik, M, Prejdova, J, Svec, M, Sponarova, J, Mlcochova, P, Skalicka, K, Strisovsky, K, Uhlikova, T, Soucek, M, Machala, L, Stankova, M, Vondrasek, J, Klimkait, T, Kraeusslich, H.-G, Hilgenfeld, R, Konvalinka, J. | | 登録日 | 2002-10-02 | | 公開日 | 2002-12-23 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Unusual Binding Mode of an HIV-1 Protease Inhibitor Explains its Potency against Multi-drug-resistant Virus Strains
J.MOL.BIOL., 324, 2002
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4A1X
 | | Co-Complex structure of NS3-4A protease with the inhibitory peptide CP5-46-A (Synchrotron data) | | 分子名称: | CHLORIDE ION, CP5-46-A PEPTIDE, NONSTRUCTURAL PROTEIN 4A, ... | | 著者 | Schmelz, S, Kuegler, J, Collins, J, Heinz, D. | | 登録日 | 2011-09-20 | | 公開日 | 2012-09-19 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | High Affinity Peptide Inhibitors of the Hepatitis C Virus Ns3-4A Protease Refractory to Common Resistant Mutants.
J.Biol.Chem., 287, 2012
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4A1V
 | | Co-Complex structure of NS3-4A protease with the optimized inhibitory peptide CP5-46A-4D5E | | 分子名称: | CHLORIDE ION, CP5-46A-4D5E, NON-STRUCTURAL PROTEIN 4A, ... | | 著者 | Schmelz, S, Kuegler, J, Collins, J, Heinz, D.W. | | 登録日 | 2011-09-20 | | 公開日 | 2012-09-19 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | High Affinity Peptide Inhibitors of the Hepatitis C Virus Ns3-4A Protease Refractory to Common Resistant Mutants.
J.Biol.Chem., 287, 2012
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1GP3
 | | Human IGF2R domain 11 | | 分子名称: | CATION-INDEPENDENT MANNOSE-6-PHOSPHATE RECEPTOR | | 著者 | Brown, J, Esnouf, R.M, Jones, M.A, Linnell, J, Harlos, K, Hassan, A.B, Jones, E.Y. | | 登録日 | 2001-10-29 | | 公開日 | 2002-02-28 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Structure of a Functional Igf2R Fragment Determined from the Anomalous Scattering of Sulfur
Embo J., 21, 2002
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1S3E
 | | Crystal structure of MAOB in complex with 6-hydroxy-N-propargyl-1(R)-aminoindan | | 分子名称: | (3R)-3-(PROP-2-YNYLAMINO)INDAN-5-OL, Amine oxidase [flavin-containing] B, FLAVIN-ADENINE DINUCLEOTIDE | | 著者 | Binda, C, Hubalek, F, Li, M, Herzig, Y, Sterling, J, Edmondson, D.E, Mattevi, A. | | 登録日 | 2004-01-13 | | 公開日 | 2004-03-30 | | 最終更新日 | 2011-07-13 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Crystal Structures of Monoamine Oxidase B in Complex with Four Inhibitors of the N-Propargylaminoindan Class.
J.Med.Chem., 47, 2004
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4A1T
 | | Co-Complex of the of NS3-4A protease with the inhibitory peptide CP5- 46-A (in-House data) | | 分子名称: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, BICARBONATE ION, CHLORIDE ION, ... | | 著者 | Schmelz, S, Kuegler, J, Collins, J, Heinz, D.W. | | 登録日 | 2011-09-19 | | 公開日 | 2012-09-19 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | | 主引用文献 | High Affinity Peptide Inhibitors of the Hepatitis C Virus Ns3-4A Protease Refractory to Common Resistant Mutants.
J.Biol.Chem., 287, 2012
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2XZ0
 | | The Structure of the 2:1 (Partially Occupied) Complex Between Stearoyl Acyl Carrier Protein Desaturase from Ricinus Communis (Castor Bean) and Acyl Carrier Protein. | | 分子名称: | 1,2-ETHANEDIOL, ACYL CARRIER PROTEIN 1, CHLOROPLASTIC, ... | | 著者 | Moche, M, Guy, J.E, Whittle, E, Lengqvist, J, Shanklin, J, Lindqvist, Y. | | 登録日 | 2010-11-22 | | 公開日 | 2011-09-07 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | Remote Control of Regioselectivity in Acyl-Acyl Carrier Protein-Desaturases.
Proc.Natl.Acad.Sci.USA, 108, 2011
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1RXL
 | | Solution structure of the engineered protein Afae-dsc | | 分子名称: | Afimbrial adhesin AFA-III | | 著者 | Anderson, K.L, Billington, J, Pettigrew, D, Cota, E, Roversi, P, Simpson, P, Chen, H.A, Urvil, P, du Merle, L, Barlow, P.N, Medof, M.E, Smith, R.A, Nowicki, B, Le Bouguenec, C, Lea, S.M, Matthews, S. | | 登録日 | 2003-12-18 | | 公開日 | 2005-01-11 | | 最終更新日 | 2020-02-05 | | 実験手法 | SOLUTION NMR | | 主引用文献 | An atomic resolution model for assembly, architecture, and function of the Dr adhesins.
Mol.Cell, 15, 2004
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1S3B
 | | Crystal structure of MAOB in complex with N-methyl-N-propargyl-1(R)-aminoindan | | 分子名称: | Amine oxidase [flavin-containing] B, FLAVIN-ADENINE DINUCLEOTIDE, N-[(1S)-2,3-DIHYDRO-1H-INDEN-1-YL]-N-METHYL-N-PROP-2-YNYLAMINE | | 著者 | Binda, C, Hubalek, F, Li, M, Herzig, Y, Sterling, J, Edmondson, D.E, Mattevi, A. | | 登録日 | 2004-01-13 | | 公開日 | 2004-03-30 | | 最終更新日 | 2011-07-13 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | Crystal Structures of Monoamine Oxidase B in Complex with Four Inhibitors of the N-Propargylaminoindan Class.
J.Med.Chem., 47, 2004
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1S2Q
 | | Crystal structure of MAOB in complex with N-propargyl-1(R)-aminoindan (Rasagiline) | | 分子名称: | (1R)-N-(prop-2-en-1-yl)-2,3-dihydro-1H-inden-1-amine, Amine oxidase [flavin-containing] B, FLAVIN-ADENINE DINUCLEOTIDE | | 著者 | Binda, C, Hubalek, F, Li, M, Herzig, Y, Sterling, J, Edmondson, D.E, Mattevi, A. | | 登録日 | 2004-01-09 | | 公開日 | 2004-03-30 | | 最終更新日 | 2012-02-22 | | 実験手法 | X-RAY DIFFRACTION (2.07 Å) | | 主引用文献 | Crystal Structures of Monoamine Oxidase B in Complex with Four Inhibitors of the N-Propargylaminoindan Class.
J.Med.Chem., 47, 2004
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