3PM3
 
 | | Bovine trypsin variant X(tripleIle227) in complex with small molecule inhibitor | | 分子名称: | CALCIUM ION, Cationic trypsin, GLYCEROL, ... | | 著者 | Tziridis, A, Neumann, P, Kolenko, P, Stubbs, M.T. | | 登録日 | 2010-11-16 | | 公開日 | 2011-12-07 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (1.53 Å) | | 主引用文献 | Correlating structure and ligand affinity in drug discovery: a cautionary tale involving second shell residues.
Biol.Chem., 395, 2014
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3PLB
 | | Bovine trypsin variant X(tripleIle227) in complex with small molecule inhibitor | | 分子名称: | BENZAMIDINE, CALCIUM ION, Cationic trypsin, ... | | 著者 | Tziridis, A, Neumann, P, Kolenko, P, Stubbs, M.T. | | 登録日 | 2010-11-15 | | 公開日 | 2011-12-07 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (1.18 Å) | | 主引用文献 | Correlating structure and ligand affinity in drug discovery: a cautionary tale involving second shell residues.
Biol.Chem., 395, 2014
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3PLP
 | | Bovine trypsin variant X(tripleIle227) in complex with small molecule inhibitor | | 分子名称: | 2,7-BIS-(4-AMIDINOBENZYLIDENE)-CYCLOHEPTAN-1-ONE, CALCIUM ION, Cationic trypsin, ... | | 著者 | Tziridis, A, Neumann, P, Braeuer, U, Kolenko, P, Stubbs, M.T. | | 登録日 | 2010-11-15 | | 公開日 | 2011-12-07 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (1.63 Å) | | 主引用文献 | Correlating structure and ligand affinity in drug discovery: a cautionary tale involving second shell residues.
Biol.Chem., 395, 2014
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3PLK
 | | Bovine trypsin variant X(tripleIle227) in complex with small molecule inhibitor | | 分子名称: | CALCIUM ION, Cationic trypsin, GLYCEROL, ... | | 著者 | Tziridis, A, Neumann, P, Braeuer, U, Kolenko, P, Stubbs, M.T. | | 登録日 | 2010-11-15 | | 公開日 | 2011-12-07 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (1.53 Å) | | 主引用文献 | Correlating structure and ligand affinity in drug discovery: a cautionary tale involving second shell residues.
Biol.Chem., 395, 2014
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3PWB
 | | Bovine trypsin variant X(tripleGlu217Ile227) in complex with small molecule inhibitor | | 分子名称: | BENZAMIDINE, CALCIUM ION, Cationic trypsin, ... | | 著者 | Tziridis, A, Neumann, P, Kolenko, P, Stubbs, M.T. | | 登録日 | 2010-12-08 | | 公開日 | 2011-12-21 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (1.63 Å) | | 主引用文献 | Correlating structure and ligand affinity in drug discovery: a cautionary tale involving second shell residues.
Biol.Chem., 395, 2014
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6YJ8
 | | DarB-APO | | 分子名称: | ACETATE ION, CBS domain-containing protein YkuL, DI(HYDROXYETHYL)ETHER | | 著者 | Heidemann, J.L, Neumann, P, Ficner, R. | | 登録日 | 2020-04-02 | | 公開日 | 2021-04-14 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.84 Å) | | 主引用文献 | DarB from B. subtilis
To Be Published
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6YJ9
 | | DarB in complex with 3'3'cGAMP | | 分子名称: | 2-amino-9-[(2R,3R,3aS,5R,7aR,9R,10R,10aS,12R,14aR)-9-(6-amino-9H-purin-9-yl)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecin-2-yl]-1,9-dihydro-6H-purin-6-one, CBS domain-containing protein YkuL, CHLORIDE ION | | 著者 | Heidemann, J.L, Neumann, P, Ficner, R. | | 登録日 | 2020-04-02 | | 公開日 | 2021-04-14 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | DarB from B. subtilis
To Be Published
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6YJ7
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6YJA
 | | DarB fom B. subtilis in complex with c-di-AMP | | 分子名称: | (2R,3R,3aS,5R,7aR,9R,10R,10aS,12R,14aR)-2,9-bis(6-amino-9H-purin-9-yl)octahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8 ]tetraoxadiphosphacyclododecine-3,5,10,12-tetrol 5,12-dioxide, CALCIUM ION, CBS domain-containing protein YkuL, ... | | 著者 | Heidemann, J.L, Neumann, P, Ficner, R. | | 登録日 | 2020-04-02 | | 公開日 | 2021-04-14 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | DarB from B. subtilis
To Be Published
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3C3Y
 | | Crystal Structure of PFOMT, Phenylpropanoid and Flavonoid O-methyltransferase from M. crystallinum | | 分子名称: | CALCIUM ION, O-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE | | 著者 | Kopycki, J.G, Rauh, D, Neumann, P, Stubbs, M.T. | | 登録日 | 2008-01-29 | | 公開日 | 2008-04-01 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (1.371 Å) | | 主引用文献 | Biochemical and Structural Analysis of Substrate Promiscuity in Plant Mg(2+)-Dependent O-Methyltransferases
J.Mol.Biol., 378, 2008
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3CGM
 | | Crystal structure of thermophilic SlyD | | 分子名称: | GLYCEROL, NICKEL (II) ION, Peptidyl-prolyl cis-trans isomerase, ... | | 著者 | Loew, C, Neumann, P, Stubbs, M.T, Balbach, J. | | 登録日 | 2008-03-06 | | 公開日 | 2009-03-10 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (2.41 Å) | | 主引用文献 | Crystal Structure Determination and Functional Characterization of the Metallochaperone SlyD from Thermus thermophilus
J.Mol.Biol., 398, 2010
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4HZK
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4IA5
 | | Hydratase from Lactobacillus acidophilus - SeMet derivative (apo LAH) | | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLYCEROL, ... | | 著者 | Khoshnevis, S, Neumann, P, Ficner, R. | | 登録日 | 2012-12-06 | | 公開日 | 2013-03-27 | | 最終更新日 | 2013-08-07 | | 実験手法 | X-RAY DIFFRACTION (2.22 Å) | | 主引用文献 | Crystal structure analysis of a fatty acid double-bond hydratase from Lactobacillus acidophilus
Acta Crystallogr.,Sect.D, 69, 2013
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4IA6
 | | Hydratase from lactobacillus acidophilus in a ligand bound form (LA LAH) | | 分子名称: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ... | | 著者 | Khoshnevis, S, Neumann, P, Ficner, R. | | 登録日 | 2012-12-06 | | 公開日 | 2013-03-27 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Crystal structure analysis of a fatty acid double-bond hydratase from Lactobacillus acidophilus
Acta Crystallogr.,Sect.D, 69, 2013
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1KGI
 | | Rat transthyretin (also called prealbumin) complex with 3,3',5,5'-tetraiodothyroacetic acid (t4ac) | | 分子名称: | 3,3',5,5'-TETRAIODOTHYROACETIC ACID, TRANSTHYRETIN | | 著者 | Wojtczak, A, Neumann, P, Muziol, T, Cody, V, Luft, J.R, Pangborn, W. | | 登録日 | 2001-11-27 | | 公開日 | 2002-11-27 | | 最終更新日 | 2023-08-16 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Complex of rat transthyretin with tetraiodothyroacetic acid refined at 2.1 and 1.8 A resolution.
Acta Biochim.Pol., 48, 2001
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3E07
 | | Crystal structure of spatzle cystine knot | | 分子名称: | GLYCEROL, Protein spaetzle | | 著者 | Hoffmann, A, Funkner, A, Neumann, P, Juhnke, S, Walther, M, Schierhorn, A, Weininger, U, Balbach, J, Reuter, G, Stubbs, M.T. | | 登録日 | 2008-07-31 | | 公開日 | 2008-09-23 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Biophysical Characterization of Refolded Drosophila Spatzle, a Cystine Knot Protein, Reveals Distinct Properties of Three Isoforms
J.Biol.Chem., 283, 2008
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1KGJ
 | | Rat transthyretin (also called prealbumin) complex with 3',5'-dibromoflavone (EMD21388) | | 分子名称: | 6,4'-DIHYDROXY-3-METHYL-3',5'-DIBROMOFLAVONE, TRANSTHYRETIN | | 著者 | Wojtczak, A, Neumann, P, Muziol, T, Cody, V, Luft, J.R, Pangborn, W. | | 登録日 | 2001-11-27 | | 公開日 | 2002-11-27 | | 最終更新日 | 2023-08-16 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Comparison of binding interactions of dibromoflavonoids with transthyretin.
Acta Biochim.Pol., 48, 2001
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3E7W
 | | Crystal structure of DLTA: Implications for the reaction mechanism of non-ribosomal peptide synthetase (NRPS) adenylation domains | | 分子名称: | ADENOSINE MONOPHOSPHATE, D-alanine--poly(phosphoribitol) ligase subunit 1, PHOSPHATE ION | | 著者 | Yonus, H, Neumann, P, Zimmermann, S, May, J.J, Marahiel, M.A, Stubbs, M.T. | | 登録日 | 2008-08-19 | | 公開日 | 2008-09-09 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (2.28 Å) | | 主引用文献 | Crystal structure of DltA. Implications for the reaction mechanism of non-ribosomal peptide synthetase adenylation domains
J.Biol.Chem., 283, 2008
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3E7X
 | | Crystal structure of DLTA: implications for the reaction mechanism of non-ribosomal peptide synthetase (NRPS) adenylation domains | | 分子名称: | ADENOSINE MONOPHOSPHATE, D-alanine--poly(phosphoribitol) ligase subunit 1 | | 著者 | Yonus, H, Neumann, P, Zimmermann, S, May, J.J, Marahiel, M.A, Stubbs, M.T. | | 登録日 | 2008-08-19 | | 公開日 | 2008-09-09 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Crystal structure of DltA. Implications for the reaction mechanism of non-ribosomal peptide synthetase adenylation domains
J.Biol.Chem., 283, 2008
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3EY6
 | | Crystal structure of the FK506-binding domain of human FKBP38 | | 分子名称: | FK506-binding protein 8 | | 著者 | Parthier, C, Maestre-Martinez, M, Neumann, P, Edlich, F, Fischer, G, Luecke, C, Stubbs, M.T. | | 登録日 | 2008-10-19 | | 公開日 | 2009-10-27 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (1.05 Å) | | 主引用文献 | A charge-sensitive loop in the FKBP38 catalytic domain modulates Bcl-2 binding.
J.Mol.Recognit., 24, 2011
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4JQ9
 | | Dihydrolipoyl dehydrogenase of Escherichia coli pyruvate dehydrogenase complex | | 分子名称: | CHLORIDE ION, Dihydrolipoyl dehydrogenase, FLAVIN-ADENINE DINUCLEOTIDE, ... | | 著者 | Tietzel, M, Neumann, P, Meyer, D, Ficner, R, Tittmann, K. | | 登録日 | 2013-03-20 | | 公開日 | 2014-04-02 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (2.17 Å) | | 主引用文献 | Dihydrolipoyl dehydrogenase of Escherichia coli pyruvate dehydrogenase complex
TO BE PUBLISHED
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3GJX
 | | Crystal Structure of the Nuclear Export Complex CRM1-Snurportin1-RanGTP | | 分子名称: | CHLORIDE ION, Exportin-1, GTP-binding nuclear protein Ran, ... | | 著者 | Monecke, T, Guettler, T, Neumann, P, Dickmanns, A, Goerlich, D, Ficner, R. | | 登録日 | 2009-03-09 | | 公開日 | 2009-05-26 | | 最終更新日 | 2024-05-29 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Crystal Structure of the Nuclear Export Receptor CRM1 in Complex with Snurportin1 and RanGTP.
Science, 2009
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5EK8
 | | Crystal structure of a 9R-lipoxygenase from Cyanothece PCC8801 at 2.7 Angstroms | | 分子名称: | FE (II) ION, Lipoxygenase, SODIUM ION | | 著者 | Feussner, I, Ficner, R, Neumann, P, Newie, J, Andreou, A, Einsle, O. | | 登録日 | 2015-11-03 | | 公開日 | 2015-12-23 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Crystal structure of a lipoxygenase from Cyanothece sp. may reveal novel features for substrate acquisition.
J.Lipid Res., 57, 2016
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4B2A
 | | Structure of the factor Xa-like trypsin variant triple-Ala (TGA) in complex with eglin C | | 分子名称: | 1,2-ETHANEDIOL, CALCIUM ION, CATIONIC TRYPSIN, ... | | 著者 | Menzel, A, Neumann, P, Stubbs, M.T. | | 登録日 | 2012-07-13 | | 公開日 | 2012-08-01 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (1.89 Å) | | 主引用文献 | Thermodynamic signatures in macromolecular interactions involving conformational flexibility.
Biol.Chem., 395, 2014
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4B2B
 | | Structure of the factor Xa-like trypsin variant triple-Ala (TGPA) in complex with eglin C | | 分子名称: | 1,2-ETHANEDIOL, CALCIUM ION, CATIONIC TRYPSIN, ... | | 著者 | Menzel, A, Neumann, P, Stubbs, M.T. | | 登録日 | 2012-07-13 | | 公開日 | 2012-08-01 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (1.36 Å) | | 主引用文献 | Thermodynamic signatures in macromolecular interactions involving conformational flexibility.
Biol.Chem., 395, 2014
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