6TMS
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![BU of 6tms by Molmil](/molmil-images/mine/6tms) | Crystal structure of a de novo designed hexameric helical-bundle protein | Descriptor: | SULFATE ION, a novel designed pore protein, affinity purification tag | Authors: | Xu, C, Pei, X.Y, Luisi, B.F, Baker, D. | Deposit date: | 2019-12-05 | Release date: | 2020-04-29 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Computational design of transmembrane pores. Nature, 585, 2020
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6U1S
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![BU of 6u1s by Molmil](/molmil-images/mine/6u1s) | Cryo-EM structure of a de novo designed 16-helix transmembrane nanopore, TMHC8_R. | Descriptor: | de novo designed 16-helix transmembrane nanopore, TMHC8_R | Authors: | Johnson, M.J, Reggiano, G, Xu, C, Lu, P, Hsia, Y, Brunette, T.J, DiMaio, F, Baker, D, Kollman, J. | Deposit date: | 2019-08-16 | Release date: | 2020-08-19 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (7.6 Å) | Cite: | Computational Design of Transmembrane Channels To Be Published
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6TJ1
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![BU of 6tj1 by Molmil](/molmil-images/mine/6tj1) | Crystal structure of a de novo designed hexameric helical-bundle protein | Descriptor: | De novo designed WSHC6, purification tag | Authors: | Xu, C, Pei, X.Y, Luisi, B.F, Baker, D. | Deposit date: | 2019-11-23 | Release date: | 2020-04-29 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Computational design of transmembrane pores. Nature, 585, 2020
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1ZO9
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![BU of 1zo9 by Molmil](/molmil-images/mine/1zo9) | Crystal Structure Of The Wild Type Heme Domain Of P450BM-3 with N-palmitoylmethionine | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Bifunctional P-450:NADPH-P450 reductase, GLYCEROL, ... | Authors: | Hegda, A, Chen, B, Tomchick, D.R, Bondlela, M, Haines, D.C, Schaffer, N, Machius, M, Graham, S.E, Peterson, J.A. | Deposit date: | 2005-05-12 | Release date: | 2006-08-01 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Interactions of substrates at the surface of P450s can greatly enhance substrate potency. Biochemistry, 46, 2007
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3GMT
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![BU of 3gmt by Molmil](/molmil-images/mine/3gmt) | Crystal structure of adenylate kinase from burkholderia pseudomallei | Descriptor: | Adenylate kinase, SULFATE ION | Authors: | Abendroth, J, Staker, B.L, Robinson, H, Buchko, G.W, Hewitt, S.N, Napuli, A.J, Van Voorhis, W, Stacy, R, Myler, P.J, Stewart, L, Seattle Structural Genomics Center for Infectious Disease (SSGCID) | Deposit date: | 2009-03-15 | Release date: | 2009-06-02 | Last modified: | 2013-10-30 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural characterization of Burkholderia pseudomallei adenylate kinase (Adk): profound asymmetry in the crystal structure of the 'open' state. Biochem.Biophys.Res.Commun., 394, 2010
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6M6Z
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![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
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6O35
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![BU of 6o35 by Molmil](/molmil-images/mine/6o35) | |
7KUW
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![BU of 7kuw by Molmil](/molmil-images/mine/7kuw) | |
7JZL
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![BU of 7jzl by Molmil](/molmil-images/mine/7jzl) | |
7JZN
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![BU of 7jzn by Molmil](/molmil-images/mine/7jzn) | |
7JZM
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![BU of 7jzm by Molmil](/molmil-images/mine/7jzm) | |
7JZU
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![BU of 7jzu by Molmil](/molmil-images/mine/7jzu) | |
7UNJ
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![BU of 7unj by Molmil](/molmil-images/mine/7unj) | De novo designed chlorophyll dimer protein with Zn pheophorbide a methyl ester matching geometry of purple bacterial special pair, SP1-ZnPPaM | Descriptor: | 1,2-ETHANEDIOL, SP1-ZnPPaM designed chlorophyll dimer protein, SULFATE ION, ... | Authors: | Kennedy, M.A, Stoddard, B.L, Ennist, N.M. | Deposit date: | 2022-04-11 | Release date: | 2023-04-19 | Last modified: | 2024-06-12 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | De novo design of proteins housing excitonically coupled chlorophyll special pairs. Nat.Chem.Biol., 2024
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7UNH
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![BU of 7unh by Molmil](/molmil-images/mine/7unh) | |
7UE2
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![BU of 7ue2 by Molmil](/molmil-images/mine/7ue2) | |
7UDK
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![BU of 7udk by Molmil](/molmil-images/mine/7udk) | Crystal structure of designed helical repeat protein RPB_LRP2_R4 bound to LRPx4 peptide | Descriptor: | 4xLRP, Designed helical repeat protein (DHR) RPB_LRP2_R4 | Authors: | Chang, Y, Redler, R.L, Bhabha, G, Ekiert, D.C. | Deposit date: | 2022-03-20 | Release date: | 2023-03-22 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (3.18 Å) | Cite: | De novo design of modular peptide-binding proteins by superhelical matching. Nature, 616, 2023
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7UDO
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![BU of 7udo by Molmil](/molmil-images/mine/7udo) | Crystal structure of designed helical repeat protein RPB_LRP2_R4 (proteolysis fragment?), forming pseudopolymeric filaments | Descriptor: | 1,2-ETHANEDIOL, Designed helical repeat protein (DHR) RPB_LRP2_R4, PHOSPHATE ION | Authors: | Redler, R.L, Chang, Y, Bhabha, G, Ekiert, D.C. | Deposit date: | 2022-03-20 | Release date: | 2023-03-22 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | De novo design of modular peptide-binding proteins by superhelical matching. Nature, 616, 2023
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7UDJ
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![BU of 7udj by Molmil](/molmil-images/mine/7udj) | Crystal structure of designed helical repeat protein RPB_PEW3_R4 bound to PAWx4 peptide | Descriptor: | 4xPAW peptide, De novo designed helical repeat protein RPB_PEW3_R4 | Authors: | Redler, R.L, Chang, Y, Bhabha, G, Ekiert, D. | Deposit date: | 2022-03-20 | Release date: | 2023-03-22 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | De novo design of modular peptide-binding proteins by superhelical matching. Nature, 616, 2023
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7UDL
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![BU of 7udl by Molmil](/molmil-images/mine/7udl) | Crystal structure of designed helical repeat protein RPB_PLP1_R6 bound to PLPx6 peptide | Descriptor: | 1,2-ETHANEDIOL, 6xPLP Peptide, Designed helical repeat protein (DHR) RPB_PLP1_R6 | Authors: | Chang, Y, Redler, R.L, Bhabha, G, Ekiert, D.C. | Deposit date: | 2022-03-20 | Release date: | 2023-03-22 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | De novo design of modular peptide-binding proteins by superhelical matching. Nature, 616, 2023
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7UDN
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![BU of 7udn by Molmil](/molmil-images/mine/7udn) | |
7UDM
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![BU of 7udm by Molmil](/molmil-images/mine/7udm) | Crystal structure of designed helical repeat protein RPB_PLP1_R6 in alternative conformation 1 (with peptide) | Descriptor: | 6xPLP, Designed helical repeat protein (DHR) RPB_PLP1_R6 | Authors: | Chang, Y, Redler, R.L, Bhabha, G, Ekiert, D.C. | Deposit date: | 2022-03-20 | Release date: | 2023-03-22 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | De novo design of modular peptide-binding proteins by superhelical matching. Nature, 616, 2023
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7UNI
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![BU of 7uni by Molmil](/molmil-images/mine/7uni) | De novo designed chlorophyll dimer protein with Zn pheophorbide a methyl ester, SP2-ZnPPaM | Descriptor: | 1,2-ETHANEDIOL, PHOSPHATE ION, SP2-ZnPPaM designed chlorophyll dimer protein, ... | Authors: | Kennedy, M.A, Stoddard, B.L, Ennist, N.M. | Deposit date: | 2022-04-11 | Release date: | 2023-04-19 | Last modified: | 2024-06-12 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | De novo design of proteins housing excitonically coupled chlorophyll special pairs. Nat.Chem.Biol., 2024
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3NNX
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![BU of 3nnx by Molmil](/molmil-images/mine/3nnx) | Crystal structure of phosphorylated P38 alpha in complex with DP802 | Descriptor: | 2-[3-(3-tert-butyl-5-{[(2,3-dichlorophenyl)carbamoyl]imino}-2,5-dihydro-1H-pyrazol-1-yl)phenyl]acetamide, Mitogen-activated protein kinase 14 | Authors: | Abendroth, J. | Deposit date: | 2010-06-24 | Release date: | 2010-09-15 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.28 Å) | Cite: | Switch control pocket inhibitors of p38-MAP kinase. Durable type II inhibitors that do not require binding into the canonical ATP hinge region Bioorg.Med.Chem.Lett., 20, 2010
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3NNW
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![BU of 3nnw by Molmil](/molmil-images/mine/3nnw) | Crystal structure of P38 alpha in complex with DP802 | Descriptor: | 2-[3-(3-tert-butyl-5-{[(2,3-dichlorophenyl)carbamoyl]imino}-2,5-dihydro-1H-pyrazol-1-yl)phenyl]acetamide, Mitogen-activated protein kinase 14 | Authors: | Abendroth, J. | Deposit date: | 2010-06-24 | Release date: | 2010-09-15 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | Switch control pocket inhibitors of p38-MAP kinase. Durable type II inhibitors that do not require binding into the canonical ATP hinge region Bioorg.Med.Chem.Lett., 20, 2010
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3NNV
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![BU of 3nnv by Molmil](/molmil-images/mine/3nnv) | Crystal structure of P38 alpha in complex with DP437 | Descriptor: | 1-{3-tert-butyl-1-[4-(hydroxymethyl)phenyl]-1H-pyrazol-5-yl}-3-naphthalen-1-ylurea, Mitogen-activated protein kinase 14 | Authors: | Abendroth, J. | Deposit date: | 2010-06-24 | Release date: | 2010-09-15 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Switch control pocket inhibitors of p38-MAP kinase. Durable type II inhibitors that do not require binding into the canonical ATP hinge region Bioorg.Med.Chem.Lett., 20, 2010
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