4XTI
 
 | | Structure of IMP dehydrogenase of Ashbya gossypii with IMP bound to the active site | | 分子名称: | INOSINIC ACID, Inosine-5'-monophosphate dehydrogenase,Inosine-5'-monophosphate dehydrogenase, POTASSIUM ION | | 著者 | Buey, R.M, Ledesma-Amaro, R, Balsera, M, de Pereda, J.M, Revuelta, J.L. | | 登録日 | 2015-01-23 | | 公開日 | 2015-07-22 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Increased riboflavin production by manipulation of inosine 5'-monophosphate dehydrogenase in Ashbya gossypii.
Appl.Microbiol.Biotechnol., 99, 2015
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4XKU
 | | E coli BFR variant Y114F | | 分子名称: | Bacterioferritin, SULFATE ION | | 著者 | Hemmings, A.M, Le Brun, N.E, Bradley, J.M. | | 登録日 | 2015-01-12 | | 公開日 | 2015-12-16 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.78 Å) | | 主引用文献 | Three Aromatic Residues are Required for Electron Transfer during Iron Mineralization in Bacterioferritin.
Angew.Chem.Int.Ed.Engl., 54, 2015
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4XUC
 | | Synthesis and evaluation of heterocyclic catechol mimics as inhibitors of catechol-O-methyltransferase (COMT): Structure with Cmpd18 (1-(biphenyl-3-yl)-3-hydroxypyridin-4(1H)-one) | | 分子名称: | 1-(biphenyl-3-yl)-3-hydroxypyridin-4(1H)-one, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Catechol O-methyltransferase, ... | | 著者 | Allison, T, Wolkenberg, S, Sanders, J.M, Soisson, S.M. | | 登録日 | 2015-01-25 | | 公開日 | 2015-04-15 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Synthesis and Evaluation of Heterocyclic Catechol Mimics as Inhibitors of Catechol-O-methyltransferase (COMT).
Acs Med.Chem.Lett., 6, 2015
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4XVX
 | | Crystal structure of an acyl-ACP dehydrogenase | | 分子名称: | 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, Acyl-[acyl-carrier-protein] dehydrogenase MbtN, DIHYDROFLAVINE-ADENINE DINUCLEOTIDE, ... | | 著者 | Chai, A, Johnston, J.M, Bunker, R.D, Lott, J.S, Baker, E.N, TB Structural Genomics Consortium (TBSGC) | | 登録日 | 2015-01-28 | | 公開日 | 2015-02-11 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | A covalent adduct of MbtN, an acyl-ACP dehydrogenase from Mycobacterium tuberculosis, reveals an unusual acyl-binding pocket.
Acta Crystallogr.,Sect.D, 71, 2015
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4D89
 | | Crystal Structure of Human Beta Secretase in Complex with NVP-BXD552, derived from a soaking experiment | | 分子名称: | (3S,4S,5R)-3-(4-amino-3-{[(2R)-3-ethoxy-1,1,1-trifluoropropan-2-yl]oxy}-5-fluorobenzyl)-5-[(3-tert-butylbenzyl)amino]tetrahydro-2H-thiopyran-4-ol 1,1-dioxide, Beta-secretase 1 | | 著者 | Rondeau, J.M, Bourgier, E. | | 登録日 | 2012-01-10 | | 公開日 | 2012-11-21 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | Discovery of cyclic sulfone hydroxyethylamines as potent and selective beta-site APP-cleaving enzyme 1 (BACE1) inhibitors: structure based design and in vivo reduction of amyloid beta-peptides
J.Med.Chem., 55, 2012
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4D8F
 | | Chlamydia trachomatis NrdB with a Mn/Fe cofactor (procedure 1 - high Mn) | | 分子名称: | ACETIC ACID, FE (III) ION, MANGANESE (II) ION, ... | | 著者 | Dassama, L.M.K, Boal, A.K, Krebs, C, Rosenzweig, A.C, Bollinger Jr, J.M. | | 登録日 | 2012-01-10 | | 公開日 | 2012-02-15 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Evidence that the beta subunit of Chlamydia trachomatis ribonucleotide reductase is active with the manganese ion of its manganese(IV)/iron(III) cofactor in site 1.
J.Am.Chem.Soc., 134, 2012
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4Y0A
 | | Shikimate kinase from Acinetobacter baumannii in complex with shikimate | | 分子名称: | (3R,4S,5R)-3,4,5-TRIHYDROXYCYCLOHEX-1-ENE-1-CARBOXYLIC ACID, SULFATE ION, Shikimate kinase | | 著者 | Sutton, K.A, Breen, J, MacDonald, U, Beanan, J.M, Olson, R, Russo, T.A, Schultz, L.W, Umland, T.C. | | 登録日 | 2015-02-05 | | 公開日 | 2015-08-12 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.911 Å) | | 主引用文献 | Structure of shikimate kinase, an in vivo essential metabolic enzyme in the nosocomial pathogen Acinetobacter baumannii, in complex with shikimate.
Acta Crystallogr.,Sect.D, 71, 2015
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4XUD
 | | Synthesis and evaluation of heterocyclic catechol mimics as inhibitors of catechol-O-methyltransferase (COMT): Structure with Cmpd32 ([1-(biphenyl-3-yl)-5-hydroxy-4-oxo-1,4-dihydropyridin-3-yl]boronic acid) | | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Catechol O-methyltransferase, MAGNESIUM ION, ... | | 著者 | Allison, T, Wolkenberg, S, Sanders, J.M, Soisson, S.M. | | 登録日 | 2015-01-25 | | 公開日 | 2015-04-15 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Synthesis and Evaluation of Heterocyclic Catechol Mimics as Inhibitors of Catechol-O-methyltransferase (COMT).
Acs Med.Chem.Lett., 6, 2015
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4XUL
 | | Crystal structure of M. chilensis Mg662 protein complexed with GTP | | 分子名称: | GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, SODIUM ION, ... | | 著者 | Lartigue, A, Priet, S, Claverie, J.M, Abergel, C. | | 登録日 | 2015-01-26 | | 公開日 | 2016-02-03 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.26 Å) | | 主引用文献 | Crystal structure of M. chilensis Mg662 protein complexed with GTP
To Be Published
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4XKS
 | | E. coli BFR variant Y45F | | 分子名称: | Bacterioferritin, SULFATE ION | | 著者 | Hemmings, A.M, Le Brun, N.E, Bradley, J.M. | | 登録日 | 2015-01-12 | | 公開日 | 2015-12-16 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.57 Å) | | 主引用文献 | Three Aromatic Residues are Required for Electron Transfer during Iron Mineralization in Bacterioferritin.
Angew.Chem.Int.Ed.Engl., 54, 2015
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4XS0
 | | Human methemoglobin in complex with the second and third NEAT domains of IsdH(F365Y/A369F/Y642A) from Staphylococcus aureus | | 分子名称: | CHLORIDE ION, Hemoglobin subunit alpha, Hemoglobin subunit beta, ... | | 著者 | Dickson, C.F, Jacques, D.A, Guss, J.M, Gell, D.A. | | 登録日 | 2015-01-21 | | 公開日 | 2015-06-03 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.55 Å) | | 主引用文献 | The structure of haemoglobin bound to the haemoglobin receptor IsdH from Staphylococcus aureus shows disruption of the native alpha-globin haem pocket.
Acta Crystallogr.,Sect.D, 71, 2015
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1JFW
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4XWU
 | | Structure of the IMP dehydrogenase from Ashbya gossypii | | 分子名称: | Inosine-5'-monophosphate dehydrogenase,Inosine-5'-monophosphate dehydrogenase | | 著者 | Buey, R.M, Ledesma-Amaro, R, Balsera, M, de Pereda, J.M, Revuelta, J.L. | | 登録日 | 2015-01-29 | | 公開日 | 2015-07-22 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | Increased riboflavin production by manipulation of inosine 5'-monophosphate dehydrogenase in Ashbya gossypii.
Appl.Microbiol.Biotechnol., 99, 2015
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4XUE
 | | Synthesis and evaluation of heterocyclic catechol mimics as inhibitors of catechol-O-methyltransferase (COMT): Structure with Cmpd27b | | 分子名称: | 2-(biphenyl-3-yl)-5-hydroxy-3-methylpyrimidin-4(3H)-one, Catechol O-methyltransferase, MAGNESIUM ION, ... | | 著者 | Allison, T, Wolkenberg, S, Sanders, J.M, Soisson, S.M. | | 登録日 | 2015-01-25 | | 公開日 | 2015-04-15 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Synthesis and Evaluation of Heterocyclic Catechol Mimics as Inhibitors of Catechol-O-methyltransferase (COMT).
Acs Med.Chem.Lett., 6, 2015
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4D88
 | | Crystal Structure of Human Beta Secretase in Complex with NVP-BXQ490 | | 分子名称: | (3S,4S,5R)-3-{4-amino-3-fluoro-5-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]benzyl}-5-[(3-tert-butylbenzyl)amino]tetrahydro-2H-thiopyran-4-ol 1,1-dioxide, Beta-secretase 1 | | 著者 | Rondeau, J.M, Bourgier, E. | | 登録日 | 2012-01-10 | | 公開日 | 2012-11-21 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Discovery of cyclic sulfone hydroxyethylamines as potent and selective beta-site APP-cleaving enzyme 1 (BACE1) inhibitors: structure based design and in vivo reduction of amyloid beta-peptides
J.Med.Chem., 55, 2012
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4D8G
 | | Chlamydia trachomatis NrdB with a Mn/Fe cofactor (procedure 2 - low Mn) | | 分子名称: | FE (III) ION, MANGANESE (II) ION, Ribonucleoside-diphosphate reductase subunit beta | | 著者 | Dassama, L.M.K, Boal, A.K, Krebs, C, Rosenzweig, A.C, Bollinger Jr, J.M. | | 登録日 | 2012-01-10 | | 公開日 | 2012-02-15 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | Evidence that the beta subunit of Chlamydia trachomatis ribonucleotide reductase is active with the manganese ion of its manganese(IV)/iron(III) cofactor in site 1.
J.Am.Chem.Soc., 134, 2012
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4D85
 | | Crystal Structure of Human Beta Secretase in Complex with NVP-BVI151 | | 分子名称: | (3R,4S,5S)-3-[(3-tert-butylbenzyl)amino]-5-[(4,4,7'-trifluoro-1',2'-dihydrospiro[cyclohexane-1,3'-indol]-5'-yl)methyl]tetrahydro-2H-thiopyran-4-ol 1,1-dioxide, Beta-secretase 1, IODIDE ION | | 著者 | Rondeau, J.M, Bourgier, E. | | 登録日 | 2012-01-10 | | 公開日 | 2012-11-21 | | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | | 主引用文献 | Discovery of cyclic sulfone hydroxyethylamines as potent and selective beta-site APP-cleaving enzyme 1 (BACE1) inhibitors: structure based design and in vivo reduction of amyloid beta-peptides
J.Med.Chem., 55, 2012
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3D0B
 | | Crystal Structure of Benzamide Tetrahydro-4H-carbazol-4-one bound to Hsp90 | | 分子名称: | 2-[(2-methoxyethyl)amino]-4-(4-oxo-1,2,3,4-tetrahydro-9H-carbazol-9-yl)benzamide, Heat shock protein HSP 90-alpha | | 著者 | Barta, T.E, Veal, J.M, Huang, K.H, Hall, S.H. | | 登録日 | 2008-05-01 | | 公開日 | 2008-06-17 | | 最終更新日 | 2024-04-10 | | 実験手法 | X-RAY DIFFRACTION (1.74 Å) | | 主引用文献 | Discovery of benzamide tetrahydro-4H-carbazol-4-ones as novel small molecule inhibitors of Hsp90
BIOORG.MED.CHEM.LETT., 18, 2008
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4YGK
 | | NaSCN--Interactions between Hofmeister Anions and the Binding Pocket of a Protein | | 分子名称: | Carbonic anhydrase 2, HYDROXIDE ION, THIOCYANATE ION, ... | | 著者 | Fox, J.M, Kang, K, Sherman, W, Heroux, A, Sastry, G.M, Baghbanzadeh, M, Lockett, M.R, Whitesides, G.M. | | 登録日 | 2015-02-26 | | 公開日 | 2015-03-25 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Interactions between Hofmeister Anions and the Binding Pocket of a Protein.
J.Am.Chem.Soc., 137, 2015
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4Y6C
 | | Q17M crystal structure of Podosopora anserina putative kinesin light chain nearly identical TPR-like repeats | | 分子名称: | ANSERINA PUTATIVE KINESIN LIGHT chain, SULFATE ION | | 著者 | Marold, J.D, Kavran, J.M, Bowman, G.D, Barrick, D. | | 登録日 | 2015-02-12 | | 公開日 | 2015-10-07 | | 最終更新日 | 2017-11-01 | | 実験手法 | X-RAY DIFFRACTION (1.772 Å) | | 主引用文献 | A Naturally Occurring Repeat Protein with High Internal Sequence Identity Defines a New Class of TPR-like Proteins.
Structure, 23, 2015
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4YPI
 | | Structure of Ebola virus nucleoprotein N-terminal fragment bound to a peptide derived from Ebola VP35 | | 分子名称: | Nucleoprotein, Polymerase cofactor VP35 | | 著者 | Leung, D.W, Borek, D.M, Binning, J.M, Otwinowski, Z, Amarasinghe, G.K, Center for Structural Genomics of Infectious Diseases (CSGID) | | 登録日 | 2015-03-13 | | 公開日 | 2015-04-08 | | 最終更新日 | 2019-12-04 | | 実験手法 | X-RAY DIFFRACTION (3.71 Å) | | 主引用文献 | An Intrinsically Disordered Peptide from Ebola Virus VP35 Controls Viral RNA Synthesis by Modulating Nucleoprotein-RNA Interactions.
Cell Rep, 11, 2015
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4YUH
 | | Multiconformer synchrotron model of CypA at 150 K | | 分子名称: | Peptidyl-prolyl cis-trans isomerase A | | 著者 | Keedy, D.A, Kenner, L.R, Warkentin, M, Woldeyes, R.A, Thompson, M.C, Brewster, A.S, Van Benschoten, A.H, Baxter, E.L, Hopkins, J.B, Uervirojnangkoorn, M, McPhillips, S.E, Song, J, Mori, R.A, Holton, J.M, Weis, W.I, Brunger, A.T, Soltis, M, Lemke, H, Gonzalez, A, Sauter, N.K, Cohen, A.E, van den Bedem, H, Thorne, R.E, Fraser, J.S. | | 登録日 | 2015-03-18 | | 公開日 | 2015-10-14 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.34 Å) | | 主引用文献 | Mapping the conformational landscape of a dynamic enzyme by multitemperature and XFEL crystallography.
Elife, 4, 2015
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4YUO
 | | High-resolution multiconformer synchrotron model of CypA at 273 K | | 分子名称: | Peptidyl-prolyl cis-trans isomerase A | | 著者 | Keedy, D.A, Kenner, L.R, Warkentin, M, Woldeyes, R.A, Thompson, M.C, Brewster, A.S, Van Benschoten, A.H, Baxter, E.L, Hopkins, J.B, Uervirojnangkoorn, M, McPhillips, S.E, Song, J, Mori, R.A, Holton, J.M, Weis, W.I, Brunger, A.T, Soltis, M, Lemke, H, Gonzalez, A, Sauter, N.K, Cohen, A.E, van den Bedem, H, Thorne, R.E, Fraser, J.S. | | 登録日 | 2015-03-18 | | 公開日 | 2015-05-20 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | | 主引用文献 | Mapping the conformational landscape of a dynamic enzyme by multitemperature and XFEL crystallography.
Elife, 4, 2015
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2W2S
 | | Structure of the Lagos bat virus matrix protein | | 分子名称: | MATRIX PROTEIN | | 著者 | Graham, S.C, Assenberg, R, Delmas, O, Verma, A, Gholami, A, Talbi, C, Owens, R.J, Stuart, D.I, Grimes, J.M, Bourhy, H. | | 登録日 | 2008-11-03 | | 公開日 | 2009-01-13 | | 最終更新日 | 2019-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.75 Å) | | 主引用文献 | Rhabdovirus Matrix Protein Structures Reveal a Novel Mode of Self-Association.
Plos Pathog., 4, 2008
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4YUJ
 | | Multiconformer synchrotron model of CypA at 240 K | | 分子名称: | Peptidyl-prolyl cis-trans isomerase A | | 著者 | Keedy, D.A, Kenner, L.R, Warkentin, M, Woldeyes, R.A, Thompson, M.C, Brewster, A.S, Van Benschoten, A.H, Baxter, E.L, Hopkins, J.B, Uervirojnangkoorn, M, McPhillips, S.E, Song, J, Mori, R.A, Holton, J.M, Weis, W.I, Brunger, A.T, Soltis, M, Lemke, H, Gonzalez, A, Sauter, N.K, Cohen, A.E, van den Bedem, H, Thorne, R.E, Fraser, J.S. | | 登録日 | 2015-03-18 | | 公開日 | 2015-10-14 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.42 Å) | | 主引用文献 | Mapping the conformational landscape of a dynamic enzyme by multitemperature and XFEL crystallography.
Elife, 4, 2015
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