2NQN
| MoeA T100W | Descriptor: | GLYCEROL, Molybdopterin biosynthesis protein moeA | Authors: | Nicolas, J, Xiang, S, Schindelin, H, Rajagopalan, K.V. | Deposit date: | 2006-10-31 | Release date: | 2007-01-16 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Mutational Analysis of Escherichia coli MoeA: Two Functional Activities Map to the Active Site Cleft. Biochemistry, 46, 2007
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2NQR
| MoeA D142N | Descriptor: | GLYCEROL, Molybdopterin biosynthesis protein moeA | Authors: | Nicolas, J, Xiang, S, Schindelin, H, Rajagopalan, K.V. | Deposit date: | 2006-10-31 | Release date: | 2007-01-16 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Mutational Analysis of Escherichia coli MoeA: Two Functional Activities Map to the Active Site Cleft. Biochemistry, 46, 2007
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2NQS
| MoeA E188A | Descriptor: | GLYCEROL, Molybdopterin biosynthesis protein moeA | Authors: | Nicolas, J, Xiang, S, Schindelin, H, Rajagopalan, K.V. | Deposit date: | 2006-10-31 | Release date: | 2007-01-16 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Mutational Analysis of Escherichia coli MoeA: Two Functional Activities Map to the Active Site Cleft. Biochemistry, 46, 2007
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2NQU
| MoeA E188Q | Descriptor: | GLYCEROL, Molybdopterin biosynthesis protein moeA | Authors: | Nicolas, J, Xiang, S, Schindelin, H, Rajagopalan, K.V. | Deposit date: | 2006-10-31 | Release date: | 2007-01-16 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Mutational Analysis of Escherichia coli MoeA: Two Functional Activities Map to the Active Site Cleft. Biochemistry, 46, 2007
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2NQQ
| MoeA R137Q | Descriptor: | GLYCEROL, Molybdopterin biosynthesis protein moeA | Authors: | Nicolas, J, Xiang, S, Schindelin, H, Rajagopalan, K.V. | Deposit date: | 2006-10-31 | Release date: | 2007-01-16 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Mutational Analysis of Escherichia coli MoeA: Two Functional Activities Map to the Active Site Cleft. Biochemistry, 46, 2007
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2NQK
| MoeA D59N mutant | Descriptor: | Molybdopterin biosynthesis protein moeA | Authors: | Nicolas, J, Xiang, S, Schindelin, H, Rajagopalan, K.V. | Deposit date: | 2006-10-31 | Release date: | 2007-01-16 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Mutational Analysis of Escherichia coli MoeA: Two Functional Activities Map to the Active Site Cleft. Biochemistry, 46, 2007
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2NRS
| MoeA S371W | Descriptor: | Molybdopterin biosynthesis protein moeA | Authors: | Nicolas, J, Xiang, S, Schindelin, H, Rajagopalan, K.V. | Deposit date: | 2006-11-02 | Release date: | 2007-01-16 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Mutational Analysis of Escherichia coli MoeA: Two Functional Activities Map to the Active Site Cleft. Biochemistry, 46, 2007
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2NRP
| MoeA R350A | Descriptor: | GLYCEROL, Molybdopterin biosynthesis protein moeA | Authors: | Nicolas, J, Xiang, S, Schindelin, H, Rajagopalan, K.V. | Deposit date: | 2006-11-02 | Release date: | 2007-01-16 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Mutational Analysis of Escherichia coli MoeA: Two Functional Activities Map to the Active Site Cleft. Biochemistry, 46, 2007
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2NRO
| MoeA K279Q | Descriptor: | Molybdopterin biosynthesis protein moeA | Authors: | Nicolas, J, Xiang, S, Schindelin, H, Rajagopalan, K.V. | Deposit date: | 2006-11-02 | Release date: | 2007-01-16 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Mutational Analysis of Escherichia coli MoeA: Two Functional Activities Map to the Active Site Cleft. Biochemistry, 46, 2007
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3Q9N
| In silico and in vitro co-evolution of a high affinity complementary protein-protein interface | Descriptor: | CARBAMOYL SARCOSINE, COENZYME A, CoA binding protein, ... | Authors: | Karanicolas, J, Corn, J.E, Chen, I, Joachimiak, L.A, Dym, O, Chung, S, Albeck, S, Unger, T, Hu, W, Liu, G, Delbecq, S, Montelione, G.T, Spiegel, C, Liu, D, Baker, D, Israel Structural Proteomics Center (ISPC) | Deposit date: | 2011-01-09 | Release date: | 2011-04-27 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | A de novo protein binding pair by computational design and directed evolution. Mol.Cell, 42, 2011
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3Q9U
| In silico and in vitro co-evolution of a high affinity complementary protein-protein interface | Descriptor: | COENZYME A, CoA binding protein, consensus ankyrin repeat | Authors: | Karanicolas, J, Corn, J.E, Chen, I, Joachimiak, L.A, Dym, O, Chung, S, Albeck, S, Unger, T, Hu, W, Liu, G, Delbecq, S, Montelione, G.T, Spiegel, C, Liu, D, Baker, D, Israel Structural Proteomics Center (ISPC) | Deposit date: | 2011-01-10 | Release date: | 2011-04-20 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | A de novo protein binding pair by computational design and directed evolution. Mol.Cell, 42, 2011
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4UYN
| SAR156497 an exquisitely selective inhibitor of Aurora kinases | Descriptor: | AURORA KINASE A, ethyl (9S)-9-[5-(1H-benzimidazol-2-ylsulfanyl)furan-2-yl]-8-hydroxy-5,6,7,9-tetrahydro-2H-pyrrolo[3,4-b]quinoline-3-carboxylate | Authors: | Carry, J.C, Clerc, F, Minoux, H, Schio, L, Mauger, J, Nair, A, Parmantier, E, Lemoigne, R, Delorme, C, Nicolas, J.P, Krick, A, Abecassis, P.Y, Crocq-Stuerga, V, Pouzieux, S, Delarbre, L, Maignan, S, Bertrand, T, Bjergarde, K, Ma, N, Lachaud, S, Guizani, H, Lebel, R, Doerflinger, G, Monget, S, Perron, S, Gasse, F, Angouillant-Boniface, O, Filoche-Romme, B, Murer, M, Gontier, S, Prevost, C, Monteiro, M.L, Combeau, C. | Deposit date: | 2014-09-02 | Release date: | 2014-11-19 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Sar156497, an Exquisitely Selective Inhibitor of Aurora Kinases. J.Med.Chem., 58, 2015
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4BFR
| Discovery and Optimization of Pyrimidone Indoline Amide PI3Kbeta Inhibitors for the Treatment of Phosphatase and TENsin homologue (PTEN)-Deficient Cancers | Descriptor: | 2-[2-(2-METHYL-2,3-DIHYDRO-INDOL-1-YL)-2-OXO-ETHYL]-6-MORPHOLIN-4-YL-3H-PYRIMIDIN-4-ONE, PHOSPHATIDYLINOSITOL 4,5-BISPHOSPHATE 3-KINASE CATALYTIC S SUBUNIT BETA ISOFORM | Authors: | Certal, V, Carry, J.C, Halley, F, Virone-Oddos, A, Thompson, F, Filoche-Romme, B, El-Ahmad, Y, Karlsson, A, Charrier, V, Delorme, C, Rak, A, Abecassis, P.Y, Amara, C, Vincent, L, Bonnevaux, H, Nicolas, J.P, Mathieu, M, Bertrand, T, Marquette, J.P, Michot, N, Benard, T, Perrin, M.A, Perron, S, Monget, S, Gruss-Leleu, F, Doerflinger, G, Guizani, H, Brollo, M, Delbarre, L, Bertin, L, Richepin, P, Loyau, V, Garcia-Echeverria, C, Lengauer, C, Schio, L. | Deposit date: | 2013-03-22 | Release date: | 2014-01-15 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Discovery and Optimization of Pyrimidone Indoline Amide Pi3Kbeta Inhibitors for the Treatment of Phosphatase and Tensin Homologue (Pten)-Deficient Cancers. J.Med.Chem., 57, 2014
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4AJW
| Discovery and Optimization of New Benzimidazole- and Benzoxazole-Pyrimidone Selective PI3KBeta Inhibitors for the Treatment of Phosphatase and TENsin homologue (PTEN)-Deficient Cancers | Descriptor: | 2-[(1-methyl-1H-benzimidazol-2-yl)methyl]-6-morpholin-4-ylpyrimidin-4(3H)-one, PHOSPHATIDYLINOSITOL-4,5-BISPHOSPHATE 3-KINASE CATALYTIC SUBUNIT DELTA ISOFORM | Authors: | Certal, V, Halley, F, Virone-Oddos, A, Delorme, C, Karlsson, A, Rak, A, Thompson, F, Filoche-Romme, B, El-Ahmad, Y, Carry, J.C, Abecassis, P.Y, Lejeune, P, Bonnevaux, H, Nicolas, J.P, Bertrand, T, Marquette, J.P, Michot, N, Benard, T, Below, P, Vade, I, Chatreaux, F, Lebourg, G, Pilorge, F, Angouillant-Boniface, O, Louboutin, A, Lengauer, C, Schio, L. | Deposit date: | 2012-02-20 | Release date: | 2012-05-16 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Discovery and Optimization of New Benzimidazole- and Benzoxazole-Pyrimidone Selective Pi3Kbeta Inhibitors for the Treatment of Phosphatase and Tensin Homologue (Pten)-Deficient Cancers. J.Med.Chem., 55, 2012
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4LQT
| 1.10A resolution crystal structure of a superfolder green fluorescent protein (W57A) mutant | Descriptor: | 1,2-ETHANEDIOL, Green fluorescent protein | Authors: | Lovell, S, Xia, Y, Vo, B, Battaile, K.P, Egan, C, Karanicolas, J. | Deposit date: | 2013-07-19 | Release date: | 2013-12-18 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | The designability of protein switches by chemical rescue of structure: mechanisms of inactivation and reactivation. J.Am.Chem.Soc., 135, 2013
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7UUY
| Structure of the sodium/iodide symporter (NIS) | Descriptor: | 1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATE, Sodium/iodide cotransporter | Authors: | Ravera, S, Nicola, J.P, Salazar-De Simone, G, Sigworth, F, Karakas, E, Amzel, L.M, Bianchet, M, Carrasco, N. | Deposit date: | 2022-04-29 | Release date: | 2022-12-21 | Last modified: | 2023-01-04 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Structural insights into the mechanism of the sodium/iodide symporter. Nature, 612, 2022
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7UUZ
| Structure of the sodium/iodide symporter (NIS) in complex with perrhenate and sodium | Descriptor: | 1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATE, PERRHENATE, SODIUM ION, ... | Authors: | Ravera, S, Nicola, J.P, Salazar-De Simone, G, Sigworth, F, Karakas, E, Amzel, L.M, Bianchet, M, Carrasco, N. | Deposit date: | 2022-04-29 | Release date: | 2022-12-21 | Last modified: | 2024-06-12 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Structural insights into the mechanism of the sodium/iodide symporter. Nature, 612, 2022
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7UV0
| Structure of the sodium/iodide symporter (NIS) in complex with iodide and sodium | Descriptor: | 1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATE, IODIDE ION, SODIUM ION, ... | Authors: | Ravera, S, Nicola, J.P, Salazar-De Simone, G, Sigworth, F, Karakas, E, Amzel, L.M, Bianchet, M, Carrasco, N. | Deposit date: | 2022-04-29 | Release date: | 2022-12-21 | Last modified: | 2023-01-04 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Structural insights into the mechanism of the sodium/iodide symporter. Nature, 612, 2022
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5IXE
| 1.75A RESOLUTION STRUCTURE OF 5-Fluoroindole BOUND BETA-GLYCOSIDASE (W33G) FROM SULFOLOBUS SOLFATARICUS | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 5-fluoro-1H-indole, Beta-galactosidase, ... | Authors: | Lovell, S, Battaile, K.P, Mehzabeen, N, Budiardjo, S.J, Karanicolas, J. | Deposit date: | 2016-03-23 | Release date: | 2016-07-20 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Full and Partial Agonism of a Designed Enzyme Switch. ACS Synth Biol, 5, 2016
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8E7B
| Crystal structure of the p53 (Y107H) core domain monoclinic P form | Descriptor: | Cellular tumor antigen p53, ZINC ION | Authors: | Lovell, S, Liu, L, Battaile, K.P, Miller, S, Karanicolas, J. | Deposit date: | 2022-08-23 | Release date: | 2023-05-17 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | An African-Specific Variant of TP53 Reveals PADI4 as a Regulator of p53-Mediated Tumor Suppression. Cancer Discov, 13, 2023
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8E7A
| Crystal structure of the p53 (Y107H) core domain orthorhombic P form | Descriptor: | Cellular tumor antigen p53, ZINC ION | Authors: | Lovell, S, Liu, L, Battaile, K.P, Miller, S, Karanicolas, J. | Deposit date: | 2022-08-23 | Release date: | 2023-05-17 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | An African-Specific Variant of TP53 Reveals PADI4 as a Regulator of p53-Mediated Tumor Suppression. Cancer Discov, 13, 2023
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4LQU
| 1.60A resolution crystal structure of a superfolder green fluorescent protein (W57G) mutant | Descriptor: | Green fluorescent protein | Authors: | Lovell, S, Xia, Y, Vo, B, Battaile, K.P, Egan, C, Karanicolas, J. | Deposit date: | 2013-07-19 | Release date: | 2013-12-18 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | The designability of protein switches by chemical rescue of structure: mechanisms of inactivation and reactivation. J.Am.Chem.Soc., 135, 2013
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4EAN
| 1.75A resolution structure of indole bound beta-glycosidase (W33G) from sulfolobus solfataricus | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Beta-galactosidase, CHLORIDE ION, ... | Authors: | Lovell, S, Battaile, K.P, Deckert, K, Brunner, L.C, Budiardjo, S.J, Karanicolas, J. | Deposit date: | 2012-03-22 | Release date: | 2012-06-13 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Designing allosteric control into enzymes by chemical rescue of structure. J.Am.Chem.Soc., 134, 2012
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4EAM
| 1.70A resolution structure of apo beta-glycosidase (W33G) from sulfolobus solfataricus | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Beta-galactosidase, ... | Authors: | Lovell, S, Battaile, K.P, Deckert, K, Brunner, L.C, Budiardjo, S.J, Karanicolas, J. | Deposit date: | 2012-03-22 | Release date: | 2012-06-13 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Designing allosteric control into enzymes by chemical rescue of structure. J.Am.Chem.Soc., 134, 2012
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