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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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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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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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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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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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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3QA9
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6W9E
 | | Crystal Structure of Human CDK9/cyclinT1 in complex with MC180295 | | Descriptor: | (4-amino-2-{[(1R,2R,4S)-bicyclo[2.2.1]heptan-2-yl]amino}-1,3-thiazol-5-yl)(2-nitrophenyl)methanone, (4-amino-2-{[(1S,2S,4R)-bicyclo[2.2.1]heptan-2-yl]amino}-1,3-thiazol-5-yl)(2-nitrophenyl)methanone, Cyclin-T1, ... | | Authors: | Zhang, P, Wu, J. | | Deposit date: | 2020-03-22 | | Release date: | 2021-09-01 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Comparative Modeling of CDK9 Inhibitors to Explore Selectivity and Structure-Activity Relationships
To Be Published
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6CWG
 | | Ricin catalytic subunit bound go A9 VHH antibody | | Descriptor: | CHLORIDE ION, Ricin, VHH antibody | | Authors: | Rudolph, M.J, Mantis, N. | | Deposit date: | 2018-03-30 | | Release date: | 2019-01-16 | | Last modified: | 2019-12-18 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Contribution of an unusual CDR2 element of a single domain antibody in ricin toxin binding affinity and neutralizing activity.
Protein Eng. Des. Sel., 31, 2018
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3PPD
 | | GGVLVN segment from Human Prostatic Acid Phosphatase Residues 260-265, involved in Semen-Derived Enhancer of Viral Infection | | Descriptor: | ACETIC ACID, GGVLVN peptide, amyloid forming segment, ... | | Authors: | Zhao, A, Sawaya, M.R, Eisenberg, D. | | Deposit date: | 2010-11-24 | | Release date: | 2011-06-29 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Structure-based design of non-natural amino-acid inhibitors of amyloid fibril formation.
Nature, 475, 2011
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5U4M
 | | RTA-V1C7-G29R-no_salt | | Descriptor: | CHLORIDE ION, Ricin, V1C7 VHH antibody | | Authors: | Rudolph, M.J, Mantis, N. | | Deposit date: | 2016-12-05 | | Release date: | 2017-12-13 | | Last modified: | 2019-12-11 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Using homology modeling to interrogate binding affinity in neutralization of ricin toxin by a family of single domain antibodies.
Proteins, 85, 2017
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5U4L
 | | RTA-V1C7_G29R-high-salt | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, PHOSPHATE ION, ... | | Authors: | Rudolph, M.J, Mantis, N. | | Deposit date: | 2016-12-05 | | Release date: | 2017-12-13 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Using homology modeling to interrogate binding affinity in neutralization of ricin toxin by a family of single domain antibodies.
Proteins, 85, 2017
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6CWK
 | | Anti-RTA VHH antibody | | Descriptor: | 1,2-ETHANEDIOL, Anti-Ricin antibody, CHLORIDE ION, ... | | Authors: | Rudolph, M.J, Mantis, N. | | Deposit date: | 2018-03-30 | | Release date: | 2019-01-16 | | Last modified: | 2019-12-18 | | Method: | X-RAY DIFFRACTION (1.256 Å) | | Cite: | Contribution of an unusual CDR2 element of a single domain antibody in ricin toxin binding affinity and neutralizing activity.
Protein Eng. Des. Sel., 31, 2018
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