1UJZ
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![BU of 1ujz by Molmil](/molmil-images/mine/1ujz) | Crystal structure of the E7_C/Im7_C complex; a computationally designed interface between the colicin E7 DNase and the Im7 Immunity protein | Descriptor: | Designed Colicin E7 DNase, Designed Colicin E7 immunity protein | Authors: | Kortemme, T, Joachimiak, L.A, Bullock, A.N, Schuler, A.D, Stoddard, B.L, Baker, D. | Deposit date: | 2003-08-13 | Release date: | 2004-04-06 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Computational redesign of protein-protein interaction specificity NAT.STRUCT.MOL.BIOL., 11, 2004
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6UAD
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![BU of 6uad by Molmil](/molmil-images/mine/6uad) | Ketosteroid isomerase (C. testosteroni) with truncated & designed loop for precise positioning of a catalytic E38 | Descriptor: | (3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-24-OIC ACID, Ketosteroid isomerase with truncated and designed loop, PHOSPHATE ION | Authors: | Kundert, K, Thompson, M.C, Liu, L, Fraser, J.S, Kortemme, T. | Deposit date: | 2019-09-10 | Release date: | 2020-09-16 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Ketosteroid isomerase (C. testosteroni) with truncated & designed loop for precise positioning of a catalytic E38 To Be Published
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6OB5
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![BU of 6ob5 by Molmil](/molmil-images/mine/6ob5) | Computationally-designed, modular sense/response system (S3-2D) | Descriptor: | Ankyrin Repeat Domain (AR), S3-2D variant, FARNESYL DIPHOSPHATE, ... | Authors: | Thompson, M.C, Glasgow, A.A, Huang, Y.M, Fraser, J.S, Kortemme, T. | Deposit date: | 2019-03-19 | Release date: | 2019-12-04 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.208 Å) | Cite: | Computational design of a modular protein sense-response system. Science, 366, 2019
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1PVH
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![BU of 1pvh by Molmil](/molmil-images/mine/1pvh) | Crystal structure of leukemia inhibitory factor in complex with gp130 | Descriptor: | IODIDE ION, Interleukin-6 receptor beta chain, Leukemia inhibitory factor | Authors: | Boulanger, M.J, Bankovich, A.J, Kortemme, T, Baker, D, Garcia, K.C. | Deposit date: | 2003-06-27 | Release date: | 2003-10-14 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Convergent mechanisms for recognition of divergent cytokines by the shared signaling receptor gp130. Mol.Cell, 12, 2003
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4HOP
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![BU of 4hop by Molmil](/molmil-images/mine/4hop) | Crystal structure of the computationally designed NNOS-Syntrophin complex | Descriptor: | Alpha-1-syntrophin, Nitric oxide synthase, brain | Authors: | Harwood, I.M, Melero, C, Ollikainen, N, Kortemme, T. | Deposit date: | 2012-10-22 | Release date: | 2013-11-06 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.29 Å) | Cite: | Quantification of the transferability of a designed protein specificity switch reveals extensive epistasis in molecular recognition. Proc.Natl.Acad.Sci.USA, 111, 2014
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3QBV
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![BU of 3qbv by Molmil](/molmil-images/mine/3qbv) | Structure of designed orthogonal interaction between CDC42 and nucleotide exchange domains of intersectin | Descriptor: | Cell division control protein 42 homolog, GUANOSINE-5'-DIPHOSPHATE, Intersectin-1 | Authors: | Kapp, G.T, Remenyi, A, Lim, W.A, Kortemme, T. | Deposit date: | 2011-01-14 | Release date: | 2012-02-08 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Control of protein signaling using a computationally designed GTPase/GEF orthogonal pair. Proc.Natl.Acad.Sci.USA, 109, 2012
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2ERH
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![BU of 2erh by Molmil](/molmil-images/mine/2erh) | Crystal Structure of the E7_G/Im7_G complex; a designed interface between the colicin E7 DNAse and the Im7 immunity protein | Descriptor: | Colicin E7, Colicin E7 immunity protein | Authors: | Joachimiak, L.A, Kortemme, T, Stoddard, B.L, Baker, D. | Deposit date: | 2005-10-24 | Release date: | 2006-07-25 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Computational Design of a New Hydrogen Bond Network and at Least a 300-fold Specificity Switch at a Protein-Protein Interface. J.Mol.Biol., 361, 2006
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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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6UAE
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![BU of 6uae by Molmil](/molmil-images/mine/6uae) | Ketosteroid isomerase (C. testosteroni) with truncated & designed loop for precise positioning of a catalytic E38 | Descriptor: | (3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-24-OIC ACID, EQUILENIN, Ketosteroid isomerase with designed loop, ... | Authors: | Krivacic, C, Kundert, K, Thompson, M.C, Fraser, J.S, Kortemme, T. | Deposit date: | 2019-09-10 | Release date: | 2020-09-16 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Ketosteroid isomerase (C. testosteroni) with truncated & designed loop for precise positioning of a catalytic E38 To Be Published
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6VG7
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![BU of 6vg7 by Molmil](/molmil-images/mine/6vg7) | |
6VGA
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![BU of 6vga by Molmil](/molmil-images/mine/6vga) | |
6VGB
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![BU of 6vgb by Molmil](/molmil-images/mine/6vgb) | |
6W90
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![BU of 6w90 by Molmil](/molmil-images/mine/6w90) | De novo designed NTF2 fold protein NT-9 | Descriptor: | 1,2-Distearoyl-sn-glycerophosphoethanolamine, NTF2 fold protein loop-helix-loop design NT-9 | Authors: | Thompson, M.C, Pan, X, Liu, L, Fraser, J.S, Kortemme, T. | Deposit date: | 2020-03-21 | Release date: | 2020-08-19 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Expanding the space of protein geometries by computational design of de novo fold families. Science, 369, 2020
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2II0
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![BU of 2ii0 by Molmil](/molmil-images/mine/2ii0) | Crystal Structure of catalytic domain of Son of sevenless (Rem-Cdc25) in the absence of Ras | Descriptor: | Son of sevenless homolog 1 | Authors: | Freedman, T.S, Sondermann, H, Friedland, G.D, Kortemme, T, Bar-Sagi, D, Marqusee, S, Kuriyan, J. | Deposit date: | 2006-09-27 | Release date: | 2006-10-31 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | A Ras-induced conformational switch in the Ras activator Son of sevenless. Proc.Natl.Acad.Sci.Usa, 103, 2006
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7KDT
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![BU of 7kdt by Molmil](/molmil-images/mine/7kdt) | |
5WDR
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![BU of 5wdr by Molmil](/molmil-images/mine/5wdr) | Choanoflagellate Salpingoeca rosetta Ras with GMP-PNP | Descriptor: | MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, Ras protein, ... | Authors: | Kondo, Y, Gee, C.L, Kuriyan, J. | Deposit date: | 2017-07-05 | Release date: | 2017-07-19 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Deconstruction of the Ras switching cycle through saturation mutagenesis. Elife, 6, 2017
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5WDP
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![BU of 5wdp by Molmil](/molmil-images/mine/5wdp) | H-Ras mutant L120A bound to GMP-PNP at 277K | Descriptor: | CALCIUM ION, GTPase HRas, MAGNESIUM ION, ... | Authors: | Cofsky, J.C, Bandaru, P, Gee, C.L, Kuriyan, J. | Deposit date: | 2017-07-05 | Release date: | 2017-07-19 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Deconstruction of the Ras switching cycle through saturation mutagenesis. Elife, 6, 2017
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1YVB
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![BU of 1yvb by Molmil](/molmil-images/mine/1yvb) | the Plasmodium falciparum Cysteine Protease Falcipain-2 | Descriptor: | Cystatin, GLYCEROL, falcipain 2 | Authors: | Wang, S.X. | Deposit date: | 2005-02-15 | Release date: | 2006-03-28 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structural basis for unique mechanisms of folding and hemoglobin binding by a malarial protease. Proc.Natl.Acad.Sci.Usa, 103, 2006
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3SOA
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![BU of 3soa by Molmil](/molmil-images/mine/3soa) | Full-length human CaMKII | Descriptor: | 4-[(2,4-dichloro-5-methoxyphenyl)amino]-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline-3-carbonitrile, Calcium/calmodulin-dependent protein kinase type II subunit alpha with a beta 7 linker | Authors: | Chao, L.H, Kuriyan, J. | Deposit date: | 2011-06-30 | Release date: | 2011-08-31 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (3.5501 Å) | Cite: | A Mechanism for Tunable Autoinhibition in the Structure of a Human Ca(2+)/Calmodulin- Dependent Kinase II Holoenzyme. Cell(Cambridge,Mass.), 146, 2011
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8DV1
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![BU of 8dv1 by Molmil](/molmil-images/mine/8dv1) | SARS-CoV-2 Wuhan-hu-1-Spike-RBD bound to linker variant of affinity matured ACE2 mimetic CVD432 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2,Immunoglobulin gamma-1 heavy chain fusion,Immunoglobulin gamma-1 heavy chain, Spike glycoprotein | Authors: | QCRG Structural Biology Consortium, Remesh, S.G, Merz, G.E, Brilot, A.F, Chio, U, Verba, K.A. | Deposit date: | 2022-07-27 | Release date: | 2022-08-31 | Last modified: | 2023-03-15 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Computational pipeline provides mechanistic understanding of Omicron variant of concern neutralizing engineered ACE2 receptor traps. Structure, 31, 2023
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8DV2
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![BU of 8dv2 by Molmil](/molmil-images/mine/8dv2) | SARS-CoV-2 Wuhan-hu-1-Spike-RBD bound to computationally engineered ACE2 mimetic CVD293 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2,Immunoglobulin gamma-1 heavy chain fusion, Spike glycoprotein | Authors: | QCRG Structural Biology Consortium, Remesh, S.G, Merz, G.E, Brilot, A.F, Chio, U, Verba, K.A. | Deposit date: | 2022-07-27 | Release date: | 2022-08-31 | Last modified: | 2023-03-15 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Computational pipeline provides mechanistic understanding of Omicron variant of concern neutralizing engineered ACE2 receptor traps. Structure, 31, 2023
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5WDO
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![BU of 5wdo by Molmil](/molmil-images/mine/5wdo) | H-Ras bound to GMP-PNP at 277K | Descriptor: | CALCIUM ION, GTPase HRas, MAGNESIUM ION, ... | Authors: | Cofsky, J.C, Bandaru, P, Gee, C.L, Kuriyan, J. | Deposit date: | 2017-07-05 | Release date: | 2017-07-19 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Deconstruction of the Ras switching cycle through saturation mutagenesis. Elife, 6, 2017
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5WDS
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![BU of 5wds by Molmil](/molmil-images/mine/5wds) | Choanoflagellate Salpingoeca rosetta Ras with GDP bound | Descriptor: | GLYCEROL, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Kondo, Y, Gee, C.L, Kuriyan, J. | Deposit date: | 2017-07-05 | Release date: | 2017-07-19 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Deconstruction of the Ras switching cycle through saturation mutagenesis. Elife, 6, 2017
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5WDQ
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![BU of 5wdq by Molmil](/molmil-images/mine/5wdq) | H-Ras mutant L120A bound to GMP-PNP at 100K | Descriptor: | ACETATE ION, CALCIUM ION, GTPase HRas, ... | Authors: | Bandaru, P, Gee, C.L, Kuriyan, J. | Deposit date: | 2017-07-05 | Release date: | 2017-07-19 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Deconstruction of the Ras switching cycle through saturation mutagenesis. Elife, 6, 2017
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