6BE7
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![BU of 6be7 by Molmil](/molmil-images/mine/6be7) | Solution structure of de novo macrocycle Design8.1 | Descriptor: | DDPT(DPR)(DAR)Q(DGN) | Authors: | Shortridge, M.D, Hosseinzadeh, P, Pardo-Avila, F, Varani, G, Baker, D. | Deposit date: | 2017-10-24 | Release date: | 2018-01-03 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | Comprehensive computational design of ordered peptide macrocycles. Science, 358, 2017
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1MOW
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![BU of 1mow by Molmil](/molmil-images/mine/1mow) | E-DreI | Descriptor: | 5'-D(*CP*CP*AP*AP*AP*CP*TP*GP*TP*CP*TP*CP*AP*AP*GP*TP*TP*CP*CP*GP*GP*CP*G)-3', 5'-D(*CP*GP*CP*CP*GP*GP*AP*AP*CP*TP*TP*GP*AP*GP*AP*CP*AP*GP*TP*TP*TP*GP*G)-3', GLYCEROL, ... | Authors: | Chevalier, B.S, Kortemme, T, Chadsey, M.S, Baker, D, Monnat Jr, R.J, Stoddard, B.L. | Deposit date: | 2002-09-10 | Release date: | 2002-11-29 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Design, Activity and Structure of a Highly Specific Artificial Endonuclease Mol.Cell, 10, 2002
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1MPU
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![BU of 1mpu by Molmil](/molmil-images/mine/1mpu) | Crystal Structure of the free human NKG2D immunoreceptor | Descriptor: | NKG2-D type II integral membrane protein, PHOSPHATE ION | Authors: | McFarland, B.J, Kortemme, T, Baker, D, Strong, R.K. | Deposit date: | 2002-09-12 | Release date: | 2003-04-15 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Symmetry Recognizing Asymmetry: Analysis of the Interactions between the C-Type Lectin-like Immunoreceptor NKG2D and MHC
Class I-like Ligands Structure, 11, 2003
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1K50
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![BU of 1k50 by Molmil](/molmil-images/mine/1k50) | A V49A Mutation Induces 3D Domain Swapping in the B1 Domain of Protein L from Peptostreptococcus magnus | Descriptor: | Protein L | Authors: | O'Neill, J.W, Kim, D.E, Johnsen, K, Baker, D, Zhang, K.Y.J. | Deposit date: | 2001-10-09 | Release date: | 2001-12-05 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Single-site mutations induce 3D domain swapping in the B1 domain of protein L from Peptostreptococcus magnus. Structure, 9, 2001
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1K53
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![BU of 1k53 by Molmil](/molmil-images/mine/1k53) | Monomeric Protein L B1 Domain with a G15A Mutation | Descriptor: | Protein L, ZINC ION | Authors: | O'Neill, J.W, Kim, D.E, Johnsen, K, Baker, D, Zhang, K.Y.J. | Deposit date: | 2001-10-09 | Release date: | 2001-12-05 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Single-site mutations induce 3D domain swapping in the B1 domain of protein L from Peptostreptococcus magnus. Structure, 9, 2001
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3E0L
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![BU of 3e0l by Molmil](/molmil-images/mine/3e0l) | Computationally Designed Ammelide Deaminase | Descriptor: | Guanine deaminase, ZINC ION | Authors: | Murphy, P.M, Bolduc, J.M, Gallaher, J.L, Stoddard, B.L, Baker, D. | Deposit date: | 2008-07-31 | Release date: | 2009-03-03 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.37 Å) | Cite: | Alteration of enzyme specificity by computational loop remodeling and design. Proc.Natl.Acad.Sci.USA, 106, 2009
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3TC6
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![BU of 3tc6 by Molmil](/molmil-images/mine/3tc6) | Crystal Structure of Engineered Protein. Northeast Structural Genomics Consortium Target OR63. | Descriptor: | DI(HYDROXYETHYL)ETHER, Indole-3-glycerol phosphate synthase, PHOSPHATE ION | Authors: | Vorobiev, S, Su, M, Bjelic, S, Kipnis, Y, Wang, L, Seetharaman, J, Sahdev, S, Xiao, R, Ciccosanti, C, Baker, D, Everett, J.K, Acton, T.B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2011-08-08 | Release date: | 2011-08-24 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Exploration of alternate catalytic mechanisms and optimization strategies for retroaldolase design. J.Mol.Biol., 426, 2014
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3J03
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![BU of 3j03 by Molmil](/molmil-images/mine/3j03) | Lidless Mm-cpn in the closed state with ATP/AlFx | Descriptor: | Lidless Mm-cpn | Authors: | Zhang, J, Ma, B, DiMaio, F, Douglas, N.R, Joachimiak, L, Baker, D, Frydman, J, Levitt, M, Chiu, W. | Deposit date: | 2011-02-10 | Release date: | 2011-05-18 | Last modified: | 2024-02-21 | Method: | ELECTRON MICROSCOPY (4.8 Å) | Cite: | Cryo-EM structure of a group II chaperonin in the prehydrolysis ATP-bound state leading to lid closure. Structure, 19, 2011
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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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4OYD
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![BU of 4oyd by Molmil](/molmil-images/mine/4oyd) | Crystal structure of a computationally designed inhibitor of an Epstein-Barr viral Bcl-2 protein | Descriptor: | 1,2-ETHANEDIOL, Apoptosis regulator BHRF1, Computationally designed Inhibitor | Authors: | Shen, B, Procko, E, Baker, D, Stoddard, B. | Deposit date: | 2014-02-11 | Release date: | 2014-07-09 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | A computationally designed inhibitor of an epstein-barr viral bcl-2 protein induces apoptosis in infected cells. Cell, 157, 2014
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6GNQ
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![BU of 6gnq by Molmil](/molmil-images/mine/6gnq) | Monoclinic crystalline form of human insulin, complexed with meta-cresol | Descriptor: | 1,2-ETHANEDIOL, Insulin, M-CRESOL, ... | Authors: | Margiolaki, I, Karavassili, F, Valmas, A, Dimarogona, M, Giannopoulou, A.E, Fili, S, Schluckebier, G, Norrman, M, Beckers, D, Fitch, A.N. | Deposit date: | 2018-05-31 | Release date: | 2019-06-12 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Monoclinic crystalline form of human insulin, complexed with meta-cresol To Be Published
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7LMX
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![BU of 7lmx by Molmil](/molmil-images/mine/7lmx) | A HIGHLY SPECIFIC INHIBITOR OF INTEGRIN ALPHA-V BETA-6 WITH A DISULFIDE | Descriptor: | Integrin inhibitor | Authors: | Dong, X, Bera, A.K, Roy, A, Shi, L, Springer, T.A, Baker, D. | Deposit date: | 2021-02-06 | Release date: | 2022-08-10 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | De novo design of highly selective miniprotein inhibitors of integrins alpha v beta 6 and alpha v beta 8. Nat Commun, 14, 2023
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7LMV
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![BU of 7lmv by Molmil](/molmil-images/mine/7lmv) | SPECIFIC INHIBITOR OF INTEGRIN ALPHA-V BETA-6 | Descriptor: | Integrin inhibitor | Authors: | Dong, X, Bera, A.K, Roy, A, Shi, L, Springer, T.A, Baker, D. | Deposit date: | 2021-02-05 | Release date: | 2022-08-10 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | De novo design of highly selective miniprotein inhibitors of integrins alpha v beta 6 and alpha v beta 8. Nat Commun, 14, 2023
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2WPT
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![BU of 2wpt by Molmil](/molmil-images/mine/2wpt) | The crystal structure of Im2 in complex with colicin E9 DNase | Descriptor: | COLICIN-E2 IMMUNITY PROTEIN, COLICIN-E9, GLYCEROL, ... | Authors: | Meenan, N.A, Sharma, A, Fleishman, S.J, Macdonald, C.J, Boetzel, R, Moore, G.R, Baker, D, Kleanthous, C. | Deposit date: | 2009-08-10 | Release date: | 2010-06-02 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | The Structural and Energetic Basis for High Selectivity in a High-Affinity Protein-Protein Interaction. Proc.Natl.Acad.Sci.USA, 107, 2010
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5AD2
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![BU of 5ad2 by Molmil](/molmil-images/mine/5ad2) | Bivalent binding to BET bromodomains | Descriptor: | (3R)-4-(2-{4-[1-(3-chloro[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-4-piperidinyl]phenoxy}ethyl)-1,3-dimethyl-2-piperazinone, BROMODOMAIN-CONTAINING PROTEIN 4 | Authors: | Waring, M.J, Chen, H, Rabow, A.A, Walker, G, Bobby, R, Boiko, S, Bradbury, R.H, Callis, R, Dale, I, Daniels, D, Flavell, L, Holdgate, G, Jowitt, T.A, Kikhney, A, McAlister, M, Ogg, D, Patel, J, Petteruti, P, Robb, G.R, Robers, M, Stratton, N, Svergun, D.I, Wang, W, Whittaker, D. | Deposit date: | 2015-08-19 | Release date: | 2016-09-28 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Potent and Selective Bivalent Inhibitors of Bet Bromodomains Nat.Chem.Biol., 12, 2016
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4K46
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![BU of 4k46 by Molmil](/molmil-images/mine/4k46) | Crystal Structure of Adenylate Kinase from Photobacterium profundum | Descriptor: | ADENOSINE MONOPHOSPHATE, ADENOSINE-5'-DIPHOSPHATE, Adenylate kinase, ... | Authors: | Cho, Y.-J, Kerns, S.J, Kern, D. | Deposit date: | 2013-04-12 | Release date: | 2014-07-16 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Alike but Different: Adenylate kinases from E. Coli, Aquifex, and P. profundum To be Published
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5AD3
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![BU of 5ad3 by Molmil](/molmil-images/mine/5ad3) | Bivalent binding to BET bromodomains | Descriptor: | 3-methoxy-N-[2-[4-[1-(3-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-4-piperidyl]phenoxy]ethyl]-N-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine, BROMODOMAIN-CONTAINING PROTEIN 4 | Authors: | Waring, M.J, Chen, H, Rabow, A.A, Walker, G, Bobby, R, Boiko, S, Bradbury, R.H, Callis, R, Dale, I, Daniels, D, Flavell, L, Holdgate, G, Jowitt, T.A, Kikhney, A, McAlister, M, Ogg, D, Patel, J, Petteruti, P, Robb, G.R, Robers, M, Stratton, N, Svergun, D.I, Wang, W, Whittaker, D. | Deposit date: | 2015-08-19 | Release date: | 2016-09-28 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.49 Å) | Cite: | Potent and Selective Bivalent Inhibitors of Bet Bromodomains Nat.Chem.Biol., 12, 2016
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5CW9
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![BU of 5cw9 by Molmil](/molmil-images/mine/5cw9) | Crystal structure of De novo designed ferredoxin-ferredoxin domain insertion protein | Descriptor: | De novo designed ferredoxin-ferredoxin domain insertion protein | Authors: | DiMaio, F, King, I.C, Gleixner, J, Doyle, L, Stoddard, B, Baker, D. | Deposit date: | 2015-07-28 | Release date: | 2015-09-23 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (3.108 Å) | Cite: | Precise assembly of complex beta sheet topologies from de novo designed building blocks. Elife, 4, 2015
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4NWP
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![BU of 4nwp by Molmil](/molmil-images/mine/4nwp) | Computationally Designed Two-Component Self-Assembling Tetrahedral Cage, T33-21, Crystallized in Space Group R32 | Descriptor: | AMMONIUM ION, Putative uncharacterized protein, SULFATE ION, ... | Authors: | McNamara, D.E, King, N.P, Bale, J.B, Sheffler, W, Baker, D, Yeates, T.O. | Deposit date: | 2013-12-06 | Release date: | 2014-05-28 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Accurate design of co-assembling multi-component protein nanomaterials. Nature, 510, 2014
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3TP4
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![BU of 3tp4 by Molmil](/molmil-images/mine/3tp4) | Crystal Structure of engineered protein at the resolution 1.98A, Northeast Structural Genomics Consortium Target OR128 | Descriptor: | ACETIC ACID, DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, ... | Authors: | Kuzin, A, Su, M, Seetharaman, J, Rajagopalan, S, 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: | 2011-09-07 | Release date: | 2011-10-05 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.979 Å) | Cite: | Design of activated serine-containing catalytic triads with atomic-level accuracy. Nat.Chem.Biol., 10, 2014
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1QYS
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![BU of 1qys by Molmil](/molmil-images/mine/1qys) | Crystal structure of Top7: A computationally designed protein with a novel fold | Descriptor: | TOP7 | Authors: | Kuhlman, B, Dantas, G, Ireton, G.C, Varani, G, Stoddard, B.L, Baker, D. | Deposit date: | 2003-09-11 | Release date: | 2003-11-25 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Design of a Novel Globular Protein Fold with Atomic-Level Accuracy Science, 302, 2003
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3SXW
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![BU of 3sxw by Molmil](/molmil-images/mine/3sxw) | Crystal Structure of Engineered Protein. Northeast Structural Genomics Consortium Target OR69. | Descriptor: | Glucose-6-phosphate isomerase | Authors: | Vorobiev, S, Su, M, Nivon, L, Seetharaman, J, Patel, P, Xiao, R, Maglaqui, M, Ciccosanti, C, Baker, D, Everett, J.K, Nair, R, Acton, T.B, Rost, B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2011-07-15 | Release date: | 2011-08-03 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.801 Å) | Cite: | Crystal Structure of Engineered Protein. Northeast Structural Genomics Consortium Target OR69. To be Published
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3SQF
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![BU of 3sqf by Molmil](/molmil-images/mine/3sqf) | Crystal structure of monomeric M-PMV retroviral protease | Descriptor: | Protease | Authors: | Jaskolski, M, Kazmierczyk, M, Gilski, M, Krzywda, S, Pichova, I, Zabranska, H, Khatib, F, DiMaio, F, Cooper, S, Thompson, J, Popovic, Z, Baker, D, Group, Foldit Contenders | Deposit date: | 2011-07-05 | Release date: | 2011-09-21 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.6324 Å) | Cite: | Crystal structure of a monomeric retroviral protease solved by protein folding game players. Nat.Struct.Mol.Biol., 18, 2011
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4NEY
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![BU of 4ney by Molmil](/molmil-images/mine/4ney) | Crystal Structure of an engineered protein with ferredoxin fold, Northeast Structural Genomics Consortium (NESG) Target OR277 | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Engineered protein OR277, tetrabutylphosphonium | Authors: | Guan, R, Lin, Y.-R, Koga, N, Koga, R, Castellanos, J, Seetharaman, J, Maglaqui, M, Sahdev, S, Mao, L, Xiao, R, Everett, J.K, Baker, D, Montelione, G.T, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2013-10-30 | Release date: | 2014-01-15 | Method: | X-RAY DIFFRACTION (2.323 Å) | Cite: | Northeast Structural Genomics Consortium Target OR277 To be published
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4NEZ
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![BU of 4nez by Molmil](/molmil-images/mine/4nez) | Crystal Structure of an engineered protein with ferredoxin fold, Northeast Structural Genomics Consortium (NESG) Target OR276 | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Engineered protein OR276, tetrabutylphosphonium | Authors: | Guan, R, Lin, Y.-R, Koga, N, Koga, R, Castellanos, J, Seetharaman, J, Maglaqui, M, Sahdev, S, Mao, L, Xiao, R, Everett, J.K, Baker, D, Montelione, G.T, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2013-10-30 | Release date: | 2014-01-15 | Method: | X-RAY DIFFRACTION (2.395 Å) | Cite: | Northeast Structural Genomics Consortium Target OR276 To be published
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