2MME
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2mme by Molmil](/molmil-images/mine/2mme) | Hybrid structure of the Shigella flexneri MxiH Type three secretion system needle | Descriptor: | MxiH | Authors: | Demers, J.P, Habenstein, B, Loquet, A, Vasa, S.K, Becker, S, Baker, D, Lange, A, Sgourakis, N.G. | Deposit date: | 2014-03-14 | Release date: | 2014-10-08 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (7.7 Å), SOLID-STATE NMR | Cite: | High-resolution structure of the Shigella type-III secretion needle by solid-state NMR and cryo-electron microscopy. Nat Commun, 5, 2014
|
|
4KY3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4ky3 by Molmil](/molmil-images/mine/4ky3) | Three-dimensional Structure of the orthorhombic crystal of computationally designed insertion domain , Northeast Structural Genomics Consortium (NESG) Target OR327 | Descriptor: | designed protein OR327 | Authors: | Kuzin, A, Su, M, Seetharaman, J, Maglaqui, M, Xiao, R, Lee, D, Gleixner, J, Baker, D, Everett, J.K, Acton, T.B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2013-05-28 | Release date: | 2013-06-19 | Last modified: | 2016-02-17 | Method: | X-RAY DIFFRACTION (2.964 Å) | Cite: | Precise assembly of complex beta sheet topologies from de novo designed building blocks. Elife, 4, 2015
|
|
4TQL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4tql by Molmil](/molmil-images/mine/4tql) | Computationally designed three helix bundle | Descriptor: | Three helix bundle | Authors: | Nannenga, B.L, Oberdorfer, G, DiMaio, F, Baker, D, Gonen, T. | Deposit date: | 2014-06-11 | Release date: | 2014-10-15 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | High thermodynamic stability of parametrically designed helical bundles. Science, 346, 2014
|
|
4S0J
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4s0j by Molmil](/molmil-images/mine/4s0j) | Biphenylalanine modified threonyl-tRNA synthetase from Pyrococcus abyssi: 11BIF, 42F, 79S, and 123V mutant | Descriptor: | Threonine--tRNA ligase | Authors: | Pearson, A.D, Mills, J.H, Song, Y, Nasertorabi, F, Han, G.W, Baker, D, Stevens, R.C, Schultz, P.G. | Deposit date: | 2014-12-31 | Release date: | 2015-03-18 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Transition states. Trapping a transition state in a computationally designed protein bottle. Science, 347, 2015
|
|
4S03
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4s03 by Molmil](/molmil-images/mine/4s03) | Biphenylalanine modified threonyl-tRNA synthetase from Pyrococcus abyssi: I11BIF, Y79I, and F123A mutant | Descriptor: | Threonine--tRNA ligase | Authors: | Pearson, A.D, Mills, J.H, Song, Y, Nasertorabi, F, Han, G.W, Baker, D, Stevens, R.C, Schultz, P.G. | Deposit date: | 2014-12-30 | Release date: | 2015-03-18 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Transition states. Trapping a transition state in a computationally designed protein bottle. Science, 347, 2015
|
|
4S0L
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4s0l by Molmil](/molmil-images/mine/4s0l) | Biphenylalanine modified threonyl-tRNA synthetase from Pyrococcus abyssi: I11BIF, Y79V, and F123V mutant | Descriptor: | Threonine--tRNA ligase | Authors: | Pearson, A.D, Mills, J.H, Song, Y, Nasertorabi, F, Han, G.W, Baker, D, Stevens, R.C, Schultz, P.G. | Deposit date: | 2014-12-31 | Release date: | 2015-03-18 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Transition states. Trapping a transition state in a computationally designed protein bottle. Science, 347, 2015
|
|
4S0K
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4s0k by Molmil](/molmil-images/mine/4s0k) | Biphenylalanine modified threonyl-tRNA synthetase from Pyrococcus abyssi: 11BIF, 42F, 79V, and 123A mutant | Descriptor: | DI(HYDROXYETHYL)ETHER, Threonine--tRNA ligase | Authors: | Pearson, A.D, Mills, J.H, Song, Y, Nasertorabi, F, Han, G.W, Baker, D, Stevens, R.C, Schultz, P.G. | Deposit date: | 2014-12-31 | Release date: | 2015-03-18 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Transition states. Trapping a transition state in a computationally designed protein bottle. Science, 347, 2015
|
|
4S02
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4s02 by Molmil](/molmil-images/mine/4s02) | Biphenylalanine modified threonyl-tRNA synthetase from Pyrococcus abyssi: I11BIF, F42W, Y79A, and F123Y mutant | Descriptor: | DI(HYDROXYETHYL)ETHER, Threonine--tRNA ligase | Authors: | Pearson, A.D, Mills, J.H, Song, Y, Nasertorabi, F, Han, G.W, Baker, D, Stevens, R.C, Schultz, P.G. | Deposit date: | 2014-12-30 | Release date: | 2015-03-18 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Transition states. Trapping a transition state in a computationally designed protein bottle. Science, 347, 2015
|
|
4J29
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4j29 by Molmil](/molmil-images/mine/4j29) | Crystal Structure of Engineered Protein. Northeast Structural Genomics Consortium Target OR258. | Descriptor: | Engineered Protein OR258 | Authors: | Vorobiev, S, Su, M, Koga, R, Seetharaman, J, Koga, N, Mao, L, Xiao, R, Kohan, E, Castelllanos, J, Everett, J.K, Acton, T.B, Baker, D, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2013-02-04 | Release date: | 2013-03-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal Structure of Engineered Protein OR258. To be Published
|
|
5HS0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5hs0 by Molmil](/molmil-images/mine/5hs0) | Computationally Designed Cyclic Tetramer ank1C4_7 | Descriptor: | Ankyrin domain protein ank1C4_7, GLYCEROL, SULFATE ION | Authors: | McNamara, D.E, Cascio, D, Fallas, J.A, Baker, D, Yeates, T.O. | Deposit date: | 2016-01-24 | Release date: | 2017-04-12 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Computational design of self-assembling cyclic protein homo-oligomers. Nat Chem, 9, 2017
|
|
5HRZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5hrz by Molmil](/molmil-images/mine/5hrz) | Computationally Designed Trimer 1na0C3_3 | Descriptor: | TPR domain protein 1na0C3_3 | Authors: | Cascio, D, McNamara, D.E, Fallas, J.A, Baker, D, Yeates, T.O. | Deposit date: | 2016-01-24 | Release date: | 2017-04-12 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Computational design of self-assembling cyclic protein homo-oligomers. Nat Chem, 9, 2017
|
|
4JCA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4jca by Molmil](/molmil-images/mine/4jca) | Crystal Structure of the apo form of the evolved variant of the computationally designed serine hydrolase, OSH55.4_H1. Northeast Structural Genomics Consortium (NESG) Target OR273 | Descriptor: | CITRIC ACID, RUBIDIUM ION, serine hydrolase | Authors: | Kuzin, A.P, Lew, S, Rajagopalan, S, Seetharaman, J, Tong, S, Everett, J.K, Acton, T.B, Baker, D, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2013-02-21 | Release date: | 2013-03-20 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.411 Å) | Cite: | Design of activated serine-containing catalytic triads with atomic-level accuracy. Nat.Chem.Biol., 10, 2014
|
|
4S0I
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4s0i by Molmil](/molmil-images/mine/4s0i) | Biphenylalanine modified threonyl-tRNA synthetase from Pyrococcus abyssi: 11BIF, 42F, 79S, and 123A mutant | Descriptor: | Threonine--tRNA ligase | Authors: | Pearson, A.D, Mills, J.H, Song, Y, Nasertorabi, F, Han, G.W, Baker, D, Stevens, R.C, Schultz, P.G. | Deposit date: | 2014-12-31 | Release date: | 2015-03-18 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.36 Å) | Cite: | Transition states. Trapping a transition state in a computationally designed protein bottle. Science, 347, 2015
|
|
4JLL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4jll by Molmil](/molmil-images/mine/4jll) | Crystal Structure of the evolved variant of the computationally designed serine hydrolase, OSH55.4_H1 covalently bound with FP-alkyne, Northeast Structural Genomics Consortium (NESG) Target OR273 | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Kuzin, A, Lew, S, Rajagopalan, S, Seetharaman, J, Tong, S, Everett, J.K, Acton, T.B, Baker, D, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2013-03-12 | Release date: | 2013-04-10 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.36 Å) | Cite: | Design of activated serine-containing catalytic triads with atomic-level accuracy. Nat.Chem.Biol., 10, 2014
|
|
5IM5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5im5 by Molmil](/molmil-images/mine/5im5) | Crystal structure of designed two-component self-assembling icosahedral cage I53-40 | Descriptor: | Designed Keto-hydroxyglutarate-aldolase/keto-deoxy-phosphogluconate aldolase, Designed Riboflavin synthase | Authors: | Liu, Y.A, Cascio, D, Sawaya, M.R, Bale, J.B, Collazo, M.J, Thomas, C, Sheffler, W, King, N.P, Baker, D, Yeates, T.O. | Deposit date: | 2016-03-05 | Release date: | 2016-07-27 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3.699 Å) | Cite: | Accurate design of megadalton-scale two-component icosahedral protein complexes. Science, 353, 2016
|
|
5IM4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5im4 by Molmil](/molmil-images/mine/5im4) | Crystal structure of designed two-component self-assembling icosahedral cage I52-32 | Descriptor: | 6,7-dimethyl-8-ribityllumazine synthase, Phosphotransferase system, mannose/fructose-specific component IIA | Authors: | Liu, Y.A, Cascio, D, Sawaya, M.R, Bale, J.B, Collazo, M.J, Thomas, C, Sheffler, W, King, N.P, Baker, D, Yeates, T.O. | Deposit date: | 2016-03-05 | Release date: | 2016-07-27 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Accurate design of megadalton-scale two-component icosahedral protein complexes. Science, 353, 2016
|
|
5IM6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5im6 by Molmil](/molmil-images/mine/5im6) | Crystal structure of designed two-component self-assembling icosahedral cage I32-28 | Descriptor: | Designed self-assembling icosahedral cage I32-28 dimeric subunit, Designed self-assembling icosahedral cage I32-28 trimeric subunit | Authors: | Liu, Y.A, Cascio, D, Sawaya, M.R, Bale, J.B, Collazo, M.J, Thomas, C, Sheffler, W, King, N.P, Baker, D, Yeates, T.O. | Deposit date: | 2016-03-05 | Release date: | 2016-07-27 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (5.588 Å) | Cite: | Accurate design of megadalton-scale two-component icosahedral protein complexes. Science, 353, 2016
|
|
4LNY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4lny by Molmil](/molmil-images/mine/4lny) | Crystal Structure of Engineered Protein, Northeast Structural Genomics Consortium Target OR422 | Descriptor: | CADMIUM ION, CHLORIDE ION, Engineered Protein OR422 | Authors: | Vorobiev, S, Su, M, Bjelic, S, Kipnis, Y, Wang, L, Sahdev, S, Xiao, R, Maglaqui, M, Kogan, S, Baker, D, Everett, J.K, Acton, T.B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2013-07-12 | Release date: | 2013-08-07 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.929 Å) | Cite: | Crystal Structure of Engineered Protein OR422. To be Published
|
|
6M6Z
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6m6z by Molmil](/molmil-images/mine/6m6z) | A de novo designed transmembrane nanopore, TMH4C4 | Descriptor: | TMH4C4 | Authors: | Lu, P, Xu, C, Reggiano, G, Xu, Q, DiMaio, F, Baker, D. | Deposit date: | 2020-03-16 | Release date: | 2020-06-24 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (5.9 Å) | Cite: | Computational design of transmembrane pores. Nature, 585, 2020
|
|
7S5B
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7s5b by Molmil](/molmil-images/mine/7s5b) | |
5HRY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5hry by Molmil](/molmil-images/mine/5hry) | Computationally Designed Cyclic Dimer ank3C2_1 | Descriptor: | ank3C2_1 | Authors: | Cascio, D, McNamara, D.E, Fallas, J.A, Baker, D, Yeates, T.O. | Deposit date: | 2016-01-24 | Release date: | 2017-04-12 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Computational design of self-assembling cyclic protein homo-oligomers. Nat Chem, 9, 2017
|
|
8T5F
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8t5f by Molmil](/molmil-images/mine/8t5f) | De novo design of high-affinity protein binders to bioactive helical peptides | Descriptor: | Parathyroid hormone | Authors: | Torres, S.V, Leung, P.J.Y, Bera, A.K, Baker, D, Kang, A. | Deposit date: | 2023-06-13 | Release date: | 2024-01-10 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | De novo design of high-affinity binders of bioactive helical peptides. Nature, 626, 2024
|
|
8T5E
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8t5e by Molmil](/molmil-images/mine/8t5e) | De novo design of high-affinity protein binders to bioactive helical peptides | Descriptor: | Bcl-2-like protein 11, Bim_fulldiff | Authors: | Torres, S.V, Leung, P.J.Y, Bera, A.K, Baker, D, Kang, A. | Deposit date: | 2023-06-13 | Release date: | 2024-01-10 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | De novo design of high-affinity binders of bioactive helical peptides. Nature, 626, 2024
|
|
4JVV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4jvv by Molmil](/molmil-images/mine/4jvv) | Crystal structure of the evolved variant of the computationally designed serine hydrolase, OSH55.4_H1, covalently bound with diisopropyl fluorophosphate (DFP), Northeast Structural Genomics Consortium (NESG) Target OR273 | Descriptor: | evolved variant of the computationally designed serine hydrolase | Authors: | Kuzin, A, Lew, S, Rajagopalan, S, Seetharaman, J, Tong, S, Everett, J.K, Acton, T.B, Baker, D, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2013-03-26 | Release date: | 2013-04-24 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.288 Å) | Cite: | Design of activated serine-containing catalytic triads with atomic-level accuracy. Nat.Chem.Biol., 10, 2014
|
|
4LT9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4lt9 by Molmil](/molmil-images/mine/4lt9) | Crystal Structure of Engineered Protein, Northeast Structural Genomics Consortium Target OR404 | Descriptor: | Engineered Protein OR404 | Authors: | Vorobiev, S, Su, M, Bjelic, S, Kipnis, Y, Wang, L, Sahdev, S, Xiao, R, Kogan, S, Maglaqui, M, Baker, D, Everett, J.K, Acton, T.B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2013-07-23 | Release date: | 2013-08-14 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Crystal Structure of Engineered Protein OR404. To be Published
|
|