6X8N
 
 | | Crystal Structure of H49A ABLE mutant | | Descriptor: | De novo designed ABLE protein | | Authors: | Polizzi, N.F. | | Deposit date: | 2020-06-01 | | Release date: | 2020-08-26 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | A defined structural unit enables de novo design of small-molecule-binding proteins.
Science, 369, 2020
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5GAJ
 | | Solution NMR structure of De novo designed PLOOP2X3_50 fold protein, Northeast Structural Genomics Consortium (NESG) target OR258 | | Descriptor: | DE NOVO DESIGNED PROTEIN OR258 | | Authors: | Liu, G, Castelllanos, J, Koga, R, Koga, N, Xiao, R, Pederson, K, Janjua, H, Kohan, E, Acton, T.B, Kornhaber, G, Everett, J, Baker, D, Montelione, G.T, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2015-12-01 | | Release date: | 2016-01-06 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Solution NMR structure De novo designed PLOOP2X3_50 fold protein, Northeast Structural Genomics Consortium (NESG) target OR258
To Be Published
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6ZV9
 | | Terbium(III)-bound de novo TIM barrel-ferredoxin fold fusion dimer with 4-glutamate binding site and tryptophan antenna (TFD-EE N6W) | | Descriptor: | 1,2-ETHANEDIOL, TERBIUM(III) ION, TFD-EE | | Authors: | Caldwell, S, Haydon, I, Piperidou, N, Huang, P, Hilvert, D, Baker, D, Zeymer, C. | | Deposit date: | 2020-07-24 | | Release date: | 2020-11-25 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Tight and specific lanthanide binding in a de novo TIM barrel with a large internal cavity designed by symmetric domain fusion.
Proc.Natl.Acad.Sci.USA, 117, 2020
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7TJL
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2MTQ
 | | Solution Structure of a De Novo Designed Peptide that Sequesters Toxic Heavy Metals | | Descriptor: | Designed Peptide | | Authors: | Plegaria, J.S, Zuiderweg, E.R, Stemmler, T.L, Pecoraro, V.L. | | Deposit date: | 2014-08-28 | | Release date: | 2015-04-01 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Apoprotein Structure and Metal Binding Characterization of a de Novo Designed Peptide, alpha 3DIV, that Sequesters Toxic Heavy Metals.
Biochemistry, 54, 2015
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7A8S
 | | de novo designed ba8-barrel sTIM11 with an alpha-helical extension | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, sTIM11_h3 | | Authors: | Shanmugaratnam, S, Wiese, J.G, Hocker, B. | | Deposit date: | 2020-08-31 | | Release date: | 2021-03-24 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.58 Å) | | Cite: | Extension of a de novo TIM barrel with a rationally designed secondary structure element.
Protein Sci., 30, 2021
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8R8O
 | | Hallucinated de novo TIM barrel with three helical extensions - HalluTIM3-1 | | Descriptor: | ACETATE ION, CHLORIDE ION, GLYCEROL, ... | | Authors: | Beck, J, Shanmugaratnam, S, Hocker, B. | | Deposit date: | 2023-11-29 | | Release date: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Diversifying de novo TIM barrels by hallucination.
Protein Sci., 33, 2024
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8R8N
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6ZT1
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7MGQ
 | | AICAR transformylase/IMP cyclohydrolase (ATIC) is essential for de novo purine biosynthesis and infection by Cryptococcus neoformans | | Descriptor: | 5-aminoimidazole-4-carboxamide ribonucleotide formyltransferase, MAGNESIUM ION | | Authors: | Wizrah, M.S, Chua, S.M.H, Luo, Z, Manik, M.K, Pan, M, Whyte, J.M, Robertson, A.B, Kappler, U, Kobe, B, Fraser, J.A. | | Deposit date: | 2021-04-13 | | Release date: | 2022-04-20 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.67 Å) | | Cite: | AICAR transformylase/IMP cyclohydrolase (ATIC) is essential for de novo purine biosynthesis and infection by Cryptococcus neoformans.
J.Biol.Chem., 298, 2022
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2MQ8
 | | Solution NMR Structure of De novo designed protein LFR1 1 with ferredoxin fold, Northeast Structural Genomics Consortium (NESG) Target OR414 | | Descriptor: | De novo designed protein LFR1 | | Authors: | Liu, G, Lin, Y, Koga, N, Koga, R, Xiao, R, Janjua, H, Pederson, K, Acton, T.B, Kornhaber, G, Everett, J.K, Baker, D, Montelione, G.T, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2014-06-12 | | Release date: | 2014-08-20 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Control over overall shape and size in de novo designed proteins.
Proc.Natl.Acad.Sci.USA, 112, 2015
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3P6J
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2LRH
 | | Solution NMR structure of de novo designed protein, p-loop ntpase fold, Northeast Structural Genomics Consortium target or137 | | Descriptor: | De novo designed protein | | Authors: | Liu, G, Koga, N, Koga, R, Xiao, R, Lee, H, Janjua, H, Kohan, E, Acton, T.B, Everett, J.K, Baker, D, Montelione, G.T, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2012-03-30 | | Release date: | 2012-07-04 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Solution NMR structure of de novo designed protein, p-loop ntpase fold, Northeast Structural Genomics Consortium target or137
To be Published
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2MR5
 | | Solution NMR Structure of De novo designed Protein, Northeast Structural Genomics Consortium (NESG) Target OR457 | | Descriptor: | De novo designed Protein OR457 | | Authors: | Pulavarti, S, Nivon, L, Maglaqui, M, Janjua, H, Mao, L, Xiao, R, Kornhaber, G, Baker, D, Montelione, G, Szyperski, T, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2014-07-01 | | Release date: | 2014-09-17 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Solution NMR Structure of De novo designed Protein, Northeast Structural Genomics Consortium (NESG) Target OR457
To be Published
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2N76
 | | Solution NMR Structure of De novo designed protein LFR1 1 with ferredoxin fold, Northeast Structural Genomics Consortium (NESG) Target OR414 | | Descriptor: | De novo designed protein LFR1 | | Authors: | Liu, G, Lin, Y, Koga, N, Koga, R, Xiao, R, Janjua, H, Pederson, K, Acton, T.B, Kornhaber, G, Everett, J.K, Baker, D, Montelione, G.T, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2015-09-03 | | Release date: | 2016-01-27 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Solution NMR Structure of De novo designed protein LFR1 1 with ferredoxin fold, Northeast Structural Genomics Consortium (NESG) Target OR414
To be Published
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2MTL
 | | Solution NMR Structure of De novo designed FR55, Northeast Structural Genomics Consortium (NESG) Target OR109 | | Descriptor: | De novo designed protein FR55 OR109 | | Authors: | Liu, G, Koga, N, Koga, R, Xiao, R, Hamilton, K, Ciccosanti, C, Sahdev, S, Kohan, E, Acton, T.B, Kornhaber, G, Everett, J.K, Baker, D, Montelione, G.T, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2014-08-19 | | Release date: | 2014-10-29 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Solution NMR Structure of De novo designed FR55, Northeast Structural Genomics Consortium (NESG) Target OR109
To be Published
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2MRA
 | | Solution NMR Structure of De novo designed protein, Northeast Structural Genomics Consortium (NESG) Target OR459 | | Descriptor: | De novo designed protein OR459 | | Authors: | Pulavarti, S.V.S.R.K, Kipnis, Y, Sukumaran, D, Maglaqui, M, Janjua, H, Mao, L, Xiao, R, Kornhaber, G, Baker, D, Montelione, G.T, Szyperski, T, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2014-07-02 | | Release date: | 2014-09-17 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Solution NMR Structure of De novo designed protein, Northeast Structural Genomics Consortium (NESG) Target OR459
To be Published
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2MR6
 | | Solution NMR Structure of De novo designed protein, Northeast Structural Genomics Consortium (NESG) Target OR462 | | Descriptor: | De novo designed Protein OR462 | | Authors: | Xu, X, Nivon, L, Federizon, J.F, Maglaqui, M, Janjua, H, Mao, L, Xiao, R, Kornhaber, G, Baker, D, Montelione, G.T, Szyperski, T, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2014-07-01 | | Release date: | 2014-08-06 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Solution NMR Structure of De novo designed protein, Northeast Structural Genomics Consortium (NESG) Target OR462
To be Published
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2N75
 | | Solution NMR Structure of De novo designed protein, Rossmann2x2 Fold, Northeast Structural Genomics Consortium (NESG) Target OR446 | | Descriptor: | De novo designed protein | | Authors: | Liu, G, Lin, Y, Koga, N, Koga, R, Xiao, R, Janjua, H, Pederson, K, Acton, T.B, Kornhaber, G, Everett, J.K, Baker, D, Montelione, G.T, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2015-09-03 | | Release date: | 2016-01-27 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Solution NMR Structure of De novo designed protein, Rossmann2x2 Fold, Northeast Structural Genomics Consortium (NESG) Target OR446
To be Published
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5J9F
 | | Human GAR transformylase in complex with GAR and (4-{[2-(2-Amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-6-yl)ethyl]amino}benzoyl)-L-glutamic acid (AGF183) | | Descriptor: | GLYCINAMIDE RIBONUCLEOTIDE, N-(4-{[2-(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-6-yl)ethyl]amino}benzene-1-carbonyl)-L-glutamic acid, Trifunctional purine biosynthetic protein adenosine-3 | | Authors: | Wong, J, Deis, S.M, Dann III, C.E. | | Deposit date: | 2016-04-09 | | Release date: | 2016-08-10 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Tumor Targeting with Novel 6-Substituted Pyrrolo [2,3-d] Pyrimidine Antifolates with Heteroatom Bridge Substitutions via Cellular Uptake by Folate Receptor alpha and the Proton-Coupled Folate Transporter and Inhibition of de Novo Purine Nucleotide Biosynthesis.
J.Med.Chem., 59, 2016
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6W6X
 | | Crystal Structure of ABLE Apo-protein | | Descriptor: | ACETATE ION, De novo designed ABLE protein, SULFATE ION | | Authors: | Polizzi, N.F. | | Deposit date: | 2020-03-18 | | Release date: | 2020-08-26 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.297 Å) | | Cite: | A defined structural unit enables de novo design of small-molecule-binding proteins.
Science, 369, 2020
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6W70
 | | Crystal Structure of apixaban-bound ABLE | | Descriptor: | 1-(4-METHOXYPHENYL)-7-OXO-6-[4-(2-OXOPIPERIDIN-1-YL)PHENYL]-4,5,6,7-TETRAHYDRO-1H-PYRAZOLO[3,4-C]PYRIDINE-3-CARBOXAMIDE, ACETATE ION, De novo designed ABLE, ... | | Authors: | Polizzi, N.F. | | Deposit date: | 2020-03-18 | | Release date: | 2020-08-26 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.296 Å) | | Cite: | A defined structural unit enables de novo design of small-molecule-binding proteins.
Science, 369, 2020
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7AH0
 | | Crystal structure of the de novo designed two-heme binding protein, 4D2 | | Descriptor: | 4D2, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Hutchins, G.H, Parnell, A.E, Anderson, J.L.R. | | Deposit date: | 2020-09-23 | | Release date: | 2021-10-06 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (1.91 Å) | | Cite: | An expandable, modular de novo protein platform for precision redox engineering.
Proc.Natl.Acad.Sci.USA, 120, 2023
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5EZ8
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5EZE
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