6XJ5
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7M6U
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4J9T
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![BU of 4j9t by Molmil](/molmil-images/mine/4j9t) | Crystal structure of a putative, de novo designed unnatural amino acid dependent metalloprotein, northeast structural genomics consortium target OR61 | Descriptor: | ARSENIC, GLYCEROL, designed unnatural amino acid dependent metalloprotein | Authors: | Forouhar, F, Lew, S, Seetharaman, J, Mills, J.H, Khare, S.D, Everett, J.K, Baker, D, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2013-02-17 | Release date: | 2013-03-27 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Computational design of an unnatural amino Acid dependent metalloprotein with atomic level accuracy. J.Am.Chem.Soc., 135, 2013
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3T1G
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4IX0
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![BU of 4ix0 by Molmil](/molmil-images/mine/4ix0) | Computational Design of an Unnatural Amino Acid Metalloprotein with Atomic Level Accuracy | Descriptor: | NICKEL (II) ION, SULFATE ION, Unnatural Amino Acid Mediated Metalloprotein | Authors: | Mills, J, Bolduc, J, Khare, S, Stoddard, B, Baker, D. | Deposit date: | 2013-01-24 | Release date: | 2013-08-21 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Computational design of an unnatural amino Acid dependent metalloprotein with atomic level accuracy. J.Am.Chem.Soc., 135, 2013
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4IWW
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![BU of 4iww by Molmil](/molmil-images/mine/4iww) | Computational Design of an Unnatural Amino Acid Metalloprotein with Atomic Level Accuracy | Descriptor: | COBALT (II) ION, SULFATE ION, Unnatural Amino Acid Mediated Metalloprotein | Authors: | Mills, J, Bolduc, J, Khare, S, Stoddard, B, Baker, D. | Deposit date: | 2013-01-24 | Release date: | 2013-08-21 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Computational design of an unnatural amino Acid dependent metalloprotein with atomic level accuracy. J.Am.Chem.Soc., 135, 2013
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5BVB
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![BU of 5bvb by Molmil](/molmil-images/mine/5bvb) | Engineered Digoxigenin binder DIG5.1a | Descriptor: | DIG5.1a, DIGOXIGENIN | Authors: | Doyle, L.A, Stoddard, B.L. | Deposit date: | 2015-06-04 | Release date: | 2015-10-28 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.06 Å) | Cite: | CSAR Benchmark Exercise 2013: Evaluation of Results from a Combined Computational Protein Design, Docking, and Scoring/Ranking Challenge. J.Chem.Inf.Model., 56, 2016
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4J8T
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![BU of 4j8t by Molmil](/molmil-images/mine/4j8t) | Engineered Digoxigenin binder DIG10.2 | Descriptor: | DIGOXIGENIN, Engineered Digoxigenin binder protein DIG10.2 | Authors: | Stoddard, B.L, Doyle, L.A. | Deposit date: | 2013-02-14 | Release date: | 2013-06-26 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Computational design of ligand-binding proteins with high affinity and selectivity. Nature, 501, 2013
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4J9A
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![BU of 4j9a by Molmil](/molmil-images/mine/4j9a) | Engineered Digoxigenin binder DIG10.3 | Descriptor: | DIGOXIGENIN, Engineered Digoxigenin binder protein DIG10.3 | Authors: | Stoddard, B.L, Doyle, L.A. | Deposit date: | 2013-02-15 | Release date: | 2013-06-26 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Computational design of ligand-binding proteins with high affinity and selectivity. Nature, 501, 2013
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7SPE
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7SPF
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![BU of 7spf by Molmil](/molmil-images/mine/7spf) | Crystal structure of sperm whale myoglobin variant sMb5(pCaaF) | Descriptor: | Myoglobin, NITRATE ION, OXYGEN MOLECULE, ... | Authors: | Bacik, J.P, Fasan, R, Ando, N. | Deposit date: | 2021-11-02 | Release date: | 2022-06-01 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.17 Å) | Cite: | Tuning Enzyme Thermostability via Computationally Guided Covalent Stapling and Structural Basis of Enhanced Stabilization. Biochemistry, 61, 2022
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7SPG
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![BU of 7spg by Molmil](/molmil-images/mine/7spg) | Crystal structure of sperm whale myoglobin variant sMb13(pCaaF) in space group P212121 | Descriptor: | CHLORIDE ION, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Bacik, J.P, Fasan, R, Ando, N. | Deposit date: | 2021-11-02 | Release date: | 2022-06-01 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Tuning Enzyme Thermostability via Computationally Guided Covalent Stapling and Structural Basis of Enhanced Stabilization. Biochemistry, 61, 2022
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7SPH
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![BU of 7sph by Molmil](/molmil-images/mine/7sph) | Crystal structure of sperm whale myoglobin variant sMb13(pCaaF) in space group P21 | Descriptor: | Myoglobin, OXYGEN MOLECULE, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Bacik, J.P, Fasan, R, Ando, N. | Deposit date: | 2021-11-02 | Release date: | 2022-06-01 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Tuning Enzyme Thermostability via Computationally Guided Covalent Stapling and Structural Basis of Enhanced Stabilization. Biochemistry, 61, 2022
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5V1Q
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![BU of 5v1q by Molmil](/molmil-images/mine/5v1q) | Crystal structure of Streptococcus suis SuiB | Descriptor: | IRON/SULFUR CLUSTER, Radical SAM | Authors: | Davis, K.M, Bacik, J.P, Ando, N. | Deposit date: | 2017-03-02 | Release date: | 2017-08-30 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structures of the peptide-modifying radical SAM enzyme SuiB elucidate the basis of substrate recognition. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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5V1T
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![BU of 5v1t by Molmil](/molmil-images/mine/5v1t) | Crystal structure of Streptococcus suis SuiB bound to precursor peptide SuiA | Descriptor: | IRON/SULFUR CLUSTER, METHIONINE, Radical SAM, ... | Authors: | Davis, K.M, Bacik, J.P, Ando, N. | Deposit date: | 2017-03-02 | Release date: | 2017-08-30 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structures of the peptide-modifying radical SAM enzyme SuiB elucidate the basis of substrate recognition. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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5V1S
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3U13
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![BU of 3u13 by Molmil](/molmil-images/mine/3u13) | Crystal Structure of de Novo design of cystein esterase ECH13 at the resolution 1.6A, Northeast Structural Genomics Consortium Target OR51 | Descriptor: | DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, PHOSPHATE ION, ... | Authors: | Kuzin, A, Su, M, Seetharaman, J, Sahdev, S, Xiao, R, Kohan, E, Richter, F, Everett, J.K, Acton, T.B, Baker, D, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2011-09-29 | Release date: | 2011-11-23 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Computational design of catalytic dyads and oxyanion holes for ester hydrolysis. J.Am.Chem.Soc., 134, 2012
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3UAK
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![BU of 3uak by Molmil](/molmil-images/mine/3uak) | Crystal Structure of De Novo designed cysteine esterase ECH14, Northeast Structural Genomics Consortium Target OR54 | Descriptor: | De Novo designed cysteine esterase ECH14 | Authors: | Kuzin, A, Su, M, Seetharaman, J, Sahdev, S, Xiao, R, Ciccosanti, C, Richter, F, Everett, J.K, Nair, R, Acton, T.B, Rost, B, Baker, D, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2011-10-21 | Release date: | 2011-12-07 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (3.232 Å) | Cite: | Computational design of catalytic dyads and oxyanion holes for ester hydrolysis. J.Am.Chem.Soc., 134, 2012
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3U1O
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![BU of 3u1o by Molmil](/molmil-images/mine/3u1o) | THREE DIMENSIONAL STRUCTURE OF DE NOVO DESIGNED CYSTEINE ESTERASE ECH19, Northeast Structural Genomics Consortium Target OR49 | Descriptor: | De Novo design cysteine esterase ECH19, SODIUM ION, SULFATE ION | Authors: | Kuzin, A, Su, M, Lew, S, Forouhar, F, Seetharaman, J, Daya, P, Xiao, R, Ciccosanti, C, Richter, F, Everett, J.K, Acton, T.B, Baker, D, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2011-09-30 | Release date: | 2011-10-26 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.494 Å) | Cite: | Computational design of catalytic dyads and oxyanion holes for ester hydrolysis. J.Am.Chem.Soc., 134, 2012
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3U1V
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![BU of 3u1v by Molmil](/molmil-images/mine/3u1v) | X-ray Structure of De Novo design cysteine esterase FR29, Northeast Structural Genomics Consortium Target OR52 | Descriptor: | De Novo design cysteine esterase FR29 | Authors: | Kuzin, A, Su, M, Vorobiev, S.M, Seetharaman, J, Patel, D, Xiao, R, Ciccosanti, C, Richter, F, Everett, J.K, Acton, T.B, Baker, D, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2011-09-30 | Release date: | 2011-12-07 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.797 Å) | Cite: | Computational design of catalytic dyads and oxyanion holes for ester hydrolysis. J.Am.Chem.Soc., 134, 2012
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