4IX0
 
 | | Computational Design of an Unnatural Amino Acid Metalloprotein with Atomic Level Accuracy | | 分子名称: | NICKEL (II) ION, SULFATE ION, Unnatural Amino Acid Mediated Metalloprotein | | 著者 | Mills, J, Bolduc, J, Khare, S, Stoddard, B, Baker, D. | | 登録日 | 2013-01-24 | | 公開日 | 2013-08-21 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Computational design of an unnatural amino Acid dependent metalloprotein with atomic level accuracy.
J.Am.Chem.Soc., 135, 2013
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4WX2
 | | Crystal structure of Tryptophan Synthase from Salmonella typhimurium in complex with two F6F molecules in the alpha-site and one F6F molecule in the beta-site | | 分子名称: | 1,2-ETHANEDIOL, 2-{[4-(TRIFLUOROMETHOXY)BENZOYL]AMINO}ETHYL DIHYDROGEN PHOSPHATE, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Hilario, E, Caulkins, B.G, Young, R.P, Niks, D, Dunn, M.F, Mueller, L.J, Fan, L. | | 登録日 | 2014-11-13 | | 公開日 | 2015-11-18 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | Visualizing the tunnel in tryptophan synthase with crystallography: Insights into a selective filter for accommodating indole and rejecting water.
Biochim.Biophys.Acta, 1864, 2016
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4X4A
 | | Crystal structure of the intramolecular trans-sialidase from Ruminococcus gnavus in complex with 2,7-Anhydro-Neu5Ac | | 分子名称: | 2-ACETYLAMINO-7-(1,2-DIHYDROXY-ETHYL)-3-HYDROXY-6,8-DIOXA-BICYCLO[3.2.1]OCTANE-5-CARBOXYLIC ACID, ACETYL GROUP, Anhydrosialidase, ... | | 著者 | Owen, C.D, Tailford, L.E, Taylor, G.L, Juge, N. | | 登録日 | 2014-12-02 | | 公開日 | 2015-07-22 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.71 Å) | | 主引用文献 | Discovery of intramolecular trans-sialidases in human gut microbiota suggests novel mechanisms of mucosal adaptation.
Nat Commun, 6, 2015
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3M9Y
 | | Crystal structure of Triosephosphate isomerase from methicillin resistant Staphylococcus aureus at 1.9 Angstrom resolution | | 分子名称: | CITRIC ACID, SODIUM ION, Triosephosphate isomerase | | 著者 | Mukherjee, S, Dutta, D, Saha, B, Das, A.K. | | 登録日 | 2010-03-23 | | 公開日 | 2011-04-06 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Crystal structures of triosephosphate isomerase from methicillin resistant Staphylococcus aureus MRSA252 provide structural insights into novel modes of ligand binding and unique conformations of catalytic loop
Biochimie, 94, 2012
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4YW5
 | | Crystal Structure of Streptococcus pneumoniae NanC, complex with oseltamivir carboxylate | | 分子名称: | (3R,4R,5S)-4-(acetylamino)-5-amino-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid, 1,2-ETHANEDIOL, GLYCEROL, ... | | 著者 | Owen, C.D, Lukacik, P, Potter, J.A, Walsh, M, Taylor, G.L. | | 登録日 | 2015-03-20 | | 公開日 | 2015-09-23 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Streptococcus pneumoniae NanC: STRUCTURAL INSIGHTS INTO THE SPECIFICITY AND MECHANISM OF A SIALIDASE THAT PRODUCES A SIALIDASE INHIBITOR.
J.Biol.Chem., 290, 2015
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3LF6
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3LFO
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4X6K
 | | Crystal structure of the intramolecular trans-sialidase from Ruminococcus gnavus in complex with Siastatin B | | 分子名称: | (2S,3R,4S,5S)-2-(acetylamino)-5-carboxy-3,4-dihydroxypiperidinium, ACETYL GROUP, Anhydrosialidase | | 著者 | Owen, C.D, Tailford, L.E, Taylor, G.L, Juge, N. | | 登録日 | 2014-12-08 | | 公開日 | 2015-07-22 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.94 Å) | | 主引用文献 | Discovery of intramolecular trans-sialidases in human gut microbiota suggests novel mechanisms of mucosal adaptation.
Nat Commun, 6, 2015
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4FA3
 | | Crystal structure of human 17beta-hydroxysteroid dehydrogenase type 5 in complex with (R)-1-(naphthalen-2-ylsulfonyl)piperidine-3-carboxylic acid (86) | | 分子名称: | (3R)-1-(naphthalen-2-ylsulfonyl)piperidine-3-carboxylic acid, 1,2-ETHANEDIOL, ACETATE ION, ... | | 著者 | Turnbull, A.P, Jamieson, S.M.F, Brooke, D.G, Heinrich, D, Atwell, G.J, Silva, S, Hamilton, E.J, Rigoreau, L.J.M, Trivier, E, Soudy, C, Samlal, S.S, Owen, P.J, Schroeder, E, Raynham, T, Flanagan, J.U, Denny, W.A. | | 登録日 | 2012-05-21 | | 公開日 | 2012-10-10 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | 3-(3,4-Dihydroisoquinolin-2(1H)-ylsulfonyl)benzoic acids; a New Class of Highly Potent and Selective Inhibitors of the Type 5 17-beta-hydroxysteroid Dehydrogenase AKR1C3
J.Med.Chem., 55, 2012
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4WRB
 | | Macrophage Migration Inhibitory Factor in complex with a biaryltriazole inhibitor (3b-190) | | 分子名称: | 4-{4-[6-(2-methoxyethoxy)quinolin-2-yl]-1H-1,2,3-triazol-1-yl}phenol, GLYCEROL, ISOPROPYL ALCOHOL, ... | | 著者 | Robertson, M.J, Baxter, R.H.G, Jorgensen, W.L. | | 登録日 | 2014-10-23 | | 公開日 | 2015-03-11 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (1.81 Å) | | 主引用文献 | Design, synthesis, and protein crystallography of biaryltriazoles as potent tautomerase inhibitors of macrophage migration inhibitory factor.
J.Am.Chem.Soc., 137, 2015
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4WQQ
 | | Structure of EPNH mutant of CEL-I | | 分子名称: | CALCIUM ION, Lectin CEL-I, N-acetyl-D-galactosamine-specific C-type, ... | | 著者 | Unno, H, Hatakeyama, T. | | 登録日 | 2014-10-22 | | 公開日 | 2015-04-29 | | 最終更新日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Mannose-recognition mutant of the galactose/N-acetylgalactosamine-specific C-type lectin CEL-I engineered by site-directed mutagenesis.
Biochim.Biophys.Acta, 1850, 2015
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3MOS
 | | The structure of human Transketolase | | 分子名称: | 1,2-ETHANEDIOL, CALCIUM ION, SODIUM ION, ... | | 著者 | Parthier, C, Tittmann, K. | | 登録日 | 2010-04-23 | | 公開日 | 2010-07-28 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | The crystal structure of human transketolase and new insights into its mode of action.
J.Biol.Chem., 285, 2010
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4YJG
 | | Crystal structure of DAAO(Y228L/R283G) variant (R-3-amino 1-phenylbutane binding form) | | 分子名称: | (2R)-4-phenylbutan-2-amine, D-amino-acid oxidase, FLAVIN-ADENINE DINUCLEOTIDE, ... | | 著者 | Nakano, S, Yasukawa, K, Kawahara, N, Ishitsubo, E, Tokiwa, H, Asano, Y. | | 登録日 | 2015-03-03 | | 公開日 | 2016-04-06 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Crystal structure of DAAO variant
To Be Published
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4YIP
 | | X-ray structure of the iron/manganese cambialistic superoxide dismutase from Streptococcus mutans | | 分子名称: | FE (III) ION, Superoxide dismutase [Mn/Fe] | | 著者 | Russo Krauss, I, Merlino, A, Pica, A, Sica, F. | | 登録日 | 2015-03-02 | | 公開日 | 2016-01-13 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | | 主引用文献 | Fine tuning of metal-specific activity in the Mn-like group of cambialistic superoxide dismutases
Rsc Adv, 5, 2015
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4YNQ
 | | TREX1-dsDNA complex | | 分子名称: | DNA (24-MER), DNA (5'-D(P*GP*TP*GP*CP*TP*GP*AP*CP*GP*TP*CP*AP*GP*CP*AP*CP*GP*AP*CP*G)-3'), MAGNESIUM ION, ... | | 著者 | Fye, J.M, Harvey, S, Perrino, F.W, Hollis, T. | | 登録日 | 2015-03-10 | | 公開日 | 2015-05-27 | | 最終更新日 | 2025-02-12 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Exonuclease TREX1 degrades double-stranded DNA to prevent spontaneous lupus-like inflammatory disease.
Proc.Natl.Acad.Sci.USA, 112, 2015
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3KRE
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3KSZ
 | | Crystal Structure of C151S+H178N mutant of Glyceraldehyde-3-phosphate-dehydrogenase 1 (GAPDH 1) from Staphylococcus aureus MRSA252 complexed with NAD and G3P | | 分子名称: | 3-PHOSPHOGLYCERIC ACID, Glyceraldehyde-3-phosphate dehydrogenase 1, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | | 著者 | Mukherjee, S, Dutta, D, Saha, B, Das, A.K. | | 登録日 | 2009-11-24 | | 公開日 | 2010-08-18 | | 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 glyceraldehyde-3-phosphate dehydrogenase 1 from methicillin-resistant Staphylococcus aureus MRSA252 provides novel insights into substrate binding and catalytic mechanism.
J.Mol.Biol., 401, 2010
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4EG4
 | | Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor Chem 1289 | | 分子名称: | 2-({3-[(3,5-dibromo-2-ethoxybenzyl)amino]propyl}amino)quinolin-4(1H)-one, DIMETHYL SULFOXIDE, GLYCEROL, ... | | 著者 | Koh, C.Y, Kim, J.E, Shibata, S, Fan, E, Verlinde, C.L.M.J, Hol, W.G.J. | | 登録日 | 2012-03-30 | | 公開日 | 2012-09-12 | | 最終更新日 | 2024-10-30 | | 実験手法 | X-RAY DIFFRACTION (3.151 Å) | | 主引用文献 | Distinct States of Methionyl-tRNA Synthetase Indicate Inhibitor Binding by Conformational Selection.
Structure, 20, 2012
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4YPG
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4X47
 | | Crystal structure of the intramolecular trans-sialidase from Ruminococcus gnavus in complex with Neu5Ac2en | | 分子名称: | 2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID, Anhydrosialidase, PHOSPHATE ION | | 著者 | Owen, C.D, Tailford, L.E, Taylor, G.L, Juge, N. | | 登録日 | 2014-12-02 | | 公開日 | 2015-07-22 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Discovery of intramolecular trans-sialidases in human gut microbiota suggests novel mechanisms of mucosal adaptation.
Nat Commun, 6, 2015
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4YEI
 | | Beta1mut synthetic solenoid protein | | 分子名称: | beta1mut | | 著者 | Murray, J.W, Kraatz, S. | | 登録日 | 2015-02-24 | | 公開日 | 2016-03-09 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (3.55 Å) | | 主引用文献 | Synthetic beta-solenoid proteins with the fragment-free computational design of a beta-hairpin extension.
Proc.Natl.Acad.Sci.USA, 113, 2016
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4KSI
 | | Crystal Structure Analysis of the Acidic Leucine Aminopeptidase of Tomato | | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, GLYCEROL, ... | | 著者 | DuPrez, K.T, Scranton, M, Walling, L, Fan, L. | | 登録日 | 2013-05-17 | | 公開日 | 2013-06-12 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Structure of tomato wound-induced leucine aminopeptidase sheds light on substrate specificity.
Acta Crystallogr.,Sect.D, 70, 2014
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4YW1
 | | Crystal Structure of Streptococcus pneumoniae NanC, complex with Neu5Ac and Neu5Ac2en following soaking with 3'SL | | 分子名称: | 2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | | 著者 | Owen, C.D, Lukacik, P, Potter, J.A, Walsh, M, Taylor, G.L. | | 登録日 | 2015-03-20 | | 公開日 | 2015-09-23 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | | 主引用文献 | Streptococcus pneumoniae NanC: STRUCTURAL INSIGHTS INTO THE SPECIFICITY AND MECHANISM OF A SIALIDASE THAT PRODUCES A SIALIDASE INHIBITOR.
J.Biol.Chem., 290, 2015
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4YW3
 | | Crystal Structure of Streptococcus pneumoniae NanC, complex with Neu5Ac and Neu5Ac2en following soaking with Neu5Ac2en | | 分子名称: | 2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID, GLYCEROL, N-acetyl-alpha-neuraminic acid, ... | | 著者 | Owen, C.D, Lukacik, P, Potter, J.A, Walsh, M, Taylor, G.L. | | 登録日 | 2015-03-20 | | 公開日 | 2015-09-23 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | | 主引用文献 | Streptococcus pneumoniae NanC: STRUCTURAL INSIGHTS INTO THE SPECIFICITY AND MECHANISM OF A SIALIDASE THAT PRODUCES A SIALIDASE INHIBITOR.
J.Biol.Chem., 290, 2015
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4K6R
 | | Crystal structure of GlmU in complex with ATP | | 分子名称: | 2-acetamido-2-deoxy-1-O-phosphono-alpha-D-glucopyranose, ADENOSINE-5'-TRIPHOSPHATE, Bifunctional protein GlmU, ... | | 著者 | Vithani, N, Prakash, B. | | 登録日 | 2013-04-16 | | 公開日 | 2014-04-16 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (1.98 Å) | | 主引用文献 | GlmU (N-acetylglucosamine-1-phosphate uridyltransferase) bound to three magnesium ions and ATP at the active site.
Acta Crystallogr.,Sect.F, 70, 2014
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