2A5B
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![BU of 2a5b by Molmil](/molmil-images/mine/2a5b) | Avidin complexed with 8-oxodeoxyguanosine | Descriptor: | 2'-DEOXY-8-OXOGUANOSINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, Avidin | Authors: | Conners, R, Hooley, E, Thomas, S, Brady, R.L. | Deposit date: | 2005-06-30 | Release date: | 2006-05-23 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.49 Å) | Cite: | Recognition of oxidatively modified bases within the biotin-binding site of avidin. J.Mol.Biol., 357, 2006
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3QPR
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![BU of 3qpr by Molmil](/molmil-images/mine/3qpr) | HK97 Prohead I encapsidating inactive virally encoded protease | Descriptor: | Major capsid protein | Authors: | Huang, R.K, Khayat, R, Lee, K.K, Gertsman, I, Duda, R.L, Hendrix, R.W, Johnson, J.E. | Deposit date: | 2011-02-14 | Release date: | 2011-03-30 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (5.2 Å) | Cite: | The Prohead-I structure of bacteriophage HK97: implications for scaffold-mediated control of particle assembly and maturation. J.Mol.Biol., 408, 2011
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2B1H
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![BU of 2b1h by Molmil](/molmil-images/mine/2b1h) | Crystal structure analysis of anti-HIV-1 V3 Fab 2219 in complex with UG29 peptide | Descriptor: | Fab 2219, heavy chain, light chain, ... | Authors: | Stanfield, R.L, Gorny, M.K, Zolla-Pazner, S, Wilson, I.A. | Deposit date: | 2005-09-15 | Release date: | 2006-07-04 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structures of human immunodeficiency virus type 1 (HIV-1) neutralizing antibody 2219 in complex with three different V3 peptides reveal a new binding mode for HIV-1 cross-reactivity. J.Virol., 80, 2006
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2BC4
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![BU of 2bc4 by Molmil](/molmil-images/mine/2bc4) | Crystal structure of HLA-DM | Descriptor: | CHLORIDE ION, HLA class II histocompatibility antigen, DM alpha chain, ... | Authors: | Nicholson, M.J, Moradi, B, Seth, N.P, Xing, X, Cuny, G.D, Stein, R.L, Wucherpfennig, K.W. | Deposit date: | 2005-10-18 | Release date: | 2006-05-23 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.27 Å) | Cite: | Small molecules that enhance the catalytic efficiency of HLA-DM. J.Immunol., 176, 2006
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5FV8
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5FVM
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![BU of 5fvm by Molmil](/molmil-images/mine/5fvm) | Cryo electron microscopy of a complex of Tor and Lst8 | Descriptor: | SERINE/THREONINE-PROTEIN KINASE TOR2, TARGET OF RAPAMYCIN COMPLEX SUBUNIT LST8 | Authors: | Baretic, D, Berndt, A, Ohashi, Y, Johnson, C.M, Williams, R.L. | Deposit date: | 2016-02-09 | Release date: | 2016-04-20 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (6.7 Å) | Cite: | Tor Forms a Dimer Through an N-Terminal Helical Solenoid with a Complex Topology Nat.Commun., 7, 2016
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8EUO
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![BU of 8euo by Molmil](/molmil-images/mine/8euo) | Hydroxynitrile Lyase from Hevea brasiliensis with Seven Mutations | Descriptor: | (S)-hydroxynitrile lyase | Authors: | Greenberg, L.R, Walsh, M.E, Kazlauskas, R.J, Pierce, C.T, Shi, K, Aihara, H, Evans, R.L. | Deposit date: | 2022-10-19 | Release date: | 2022-11-30 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | to be published To Be Published
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5EI6
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![BU of 5ei6 by Molmil](/molmil-images/mine/5ei6) | Rapid Discovery of Pyrido[3,4-d]pyrimidine Inhibitors of Monopolar Spindle kinase 1 (MPS1) Using a Structure-Based Hydridization Approach | Descriptor: | DIMETHYL SULFOXIDE, Dual specificity protein kinase TTK, ~{N}-(2,4-dimethoxyphenyl)-5-(1-methylpyrazol-4-yl)isoquinolin-3-amine | Authors: | Innocenti, P, Woodward, H.L, Solanki, S, Naud, N, Westwood, I.M, Cronin, N, Hayes, A, Roberts, J, Henley, A.T, Baker, R, Faisal, A, Mak, G, Box, G, Valenti, M, De Haven Brandon, A, O'Fee, L, Saville, J, Schmitt, J, Burke, R, van Montfort, R.L.M, Raymaud, F.I, Eccles, S.A, Linardopoulos, S, Blagg, J, Hoelder, S. | Deposit date: | 2015-10-29 | Release date: | 2016-04-20 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Rapid Discovery of Pyrido[3,4-d]pyrimidine Inhibitors of Monopolar Spindle Kinase 1 (MPS1) Using a Structure-Based Hybridization Approach. J.Med.Chem., 59, 2016
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5EHY
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![BU of 5ehy by Molmil](/molmil-images/mine/5ehy) | Rapid Discovery of Pyrido[3,4-d]pyrimidine Inhibitors of Monopolar Spindle kinase 1 (MPS1) Using a Structure-Based Hydridization Approach | Descriptor: | 1,2-ETHANEDIOL, 2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL, 4-(furan-3-yl)-3-phenyl-2~{H}-pyrazolo[4,3-c]pyridine, ... | Authors: | Innocenti, P, Woodward, H.L, Solanki, S, Naud, N, Westwood, I.M, Cronin, N, Hayes, A, Roberts, J, Henley, A.T, Baker, R, Faisal, A, Mak, G, Box, G, Valenti, M, De Haven Brandon, A, O'Fee, L, Saville, J, Schmitt, J, Burke, R, van Montfort, R.L.M, Raymaud, F.I, Eccles, S.A, Linardopoulos, S, Blagg, J, Hoelder, S. | Deposit date: | 2015-10-29 | Release date: | 2016-04-20 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.26 Å) | Cite: | Rapid Discovery of Pyrido[3,4-d]pyrimidine Inhibitors of Monopolar Spindle Kinase 1 (MPS1) Using a Structure-Based Hybridization Approach. J.Med.Chem., 59, 2016
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5EI8
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![BU of 5ei8 by Molmil](/molmil-images/mine/5ei8) | Rapid Discovery of Pyrido[3,4-d]pyrimidine Inhibitors of Monopolar Spindle kinase 1 (MPS1) Using a Structure-Based Hydridization Approach | Descriptor: | DIMETHYL SULFOXIDE, Dual specificity protein kinase TTK, ~{N}-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-8-(1-methylpyrazol-4-yl)pyrido[3,4-d]pyrimidin-2-amine | Authors: | Innocenti, P, Woodward, H.L, Solanki, S, Naud, N, Westwood, I.M, Cronin, N, Hayes, A, Roberts, J, Henley, A.T, Baker, R, Faisal, A, Mak, G, Box, G, Valenti, M, De Haven Brandon, A, O'Fee, L, Saville, J, Schmitt, J, Burke, R, van Montfort, R.L.M, Raymaud, F.I, Eccles, S.A, Linardopoulos, S, Blagg, J, Hoelder, S. | Deposit date: | 2015-10-29 | Release date: | 2016-04-20 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.17 Å) | Cite: | Rapid Discovery of Pyrido[3,4-d]pyrimidine Inhibitors of Monopolar Spindle Kinase 1 (MPS1) Using a Structure-Based Hybridization Approach. J.Med.Chem., 59, 2016
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2B0S
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![BU of 2b0s by Molmil](/molmil-images/mine/2b0s) | Crystal structure analysis of anti-HIV-1 V3 Fab 2219 in complex with MN peptide | Descriptor: | 1,2-ETHANEDIOL, ACETIC ACID, Fab 2219, ... | Authors: | Stanfield, R.L, Gorny, M.K, Zolla-Pazner, S, Wilson, I.A. | Deposit date: | 2005-09-14 | Release date: | 2006-07-04 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structures of human immunodeficiency virus type 1 (HIV-1) neutralizing antibody 2219 in complex with three different V3 peptides reveal a new binding mode for HIV-1 cross-reactivity. J.Virol., 80, 2006
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5EHO
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![BU of 5eho by Molmil](/molmil-images/mine/5eho) | Rapid Discovery of Pyrido[3,4-d]pyrimidine Inhibitors of Monopolar Spindle kinase 1 (MPS1) Using a Structure-Based Hydridization Approach | Descriptor: | DIMETHYL SULFOXIDE, Dual specificity protein kinase TTK, ~{N}8-cyclohexyl-~{N}2-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]pyrido[3,4-d]pyrimidine-2,8-diamine | Authors: | Innocenti, P, Woodward, H.L, Solanki, S, Naud, N, Westwood, I.M, Cronin, N, Hayes, A, Roberts, J, Henley, A.T, Baker, R, Faisal, A, Mak, G, Box, G, Valenti, M, De Haven Brandon, A, O'Fee, L, Saville, J, Schmitt, J, Burke, R, van Montfort, R.L.M, Raymaud, F.I, Eccles, S.A, Linardopoulos, S, Blagg, J, Hoelder, S. | Deposit date: | 2015-10-28 | Release date: | 2016-11-09 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.18 Å) | Cite: | Rapid Discovery of Pyrido[3,4-d]pyrimidine Inhibitors of Monopolar Spindle kinase 1 (MPS1) Using a Structure-Based Hydridization Approach To Be Published
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2ANQ
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![BU of 2anq by Molmil](/molmil-images/mine/2anq) | Crystal Structure of E.coli DHFR in complex with NADPH and the inhibitor compound 10a. | Descriptor: | (2,5-dimethylbenzene-1,4-diyl)dimethanediyl bis(N-carbamimidoylcarbamimidothioate), Dihydrofolate reductase, MANGANESE (II) ION, ... | Authors: | Summerfield, R.L, Daigle, D.M, Mayer, S, Jackson, S.G, Organ, M, Hughes, D.W, Brown, E.D, Junop, M.S. | Deposit date: | 2005-08-11 | Release date: | 2006-07-25 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.13 Å) | Cite: | A 2.13 A Structure of E. coli Dihydrofolate Reductase Bound to a Novel Competitive Inhibitor Reveals a New Binding Surface Involving the M20 Loop Region J.Med.Chem., 49, 2006
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8EKG
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![BU of 8ekg by Molmil](/molmil-images/mine/8ekg) | MHETase variant Thr159Val, Met192Tyr, Tyr252Phe, Tyr503Trp | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Saunders, J.W, Frkic, R.L, Jackson, C.J. | Deposit date: | 2022-09-20 | Release date: | 2023-10-18 | Last modified: | 2024-07-10 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Increasing the Soluble Expression and Whole-Cell Activity of the Plastic-Degrading Enzyme MHETase through Consensus Design. Biochemistry, 63, 2024
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8EU1
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8ETY
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8ETZ
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![BU of 8etz by Molmil](/molmil-images/mine/8etz) | |
8EU0
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5EHL
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![BU of 5ehl by Molmil](/molmil-images/mine/5ehl) | Rapid Discovery of Pyrido[3,4-d]pyrimidine Inhibitors of Monopolar Spindle kinase 1 (MPS1) Using a Structure-Based Hydridization Approach | Descriptor: | 1-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]urea, Dual specificity protein kinase TTK | Authors: | Innocenti, P, Woodward, H.L, Solanki, S, Naud, N, Westwood, I.M, Cronin, N, Hayes, A, Roberts, J, Henley, A.T, Baker, R, Faisal, A, Mak, G, Box, G, Valenti, M, De Haven Brandon, A, O'Fee, L, Saville, J, Schmitt, J, Burke, R, van Montfort, R.L.M, Raymaud, F.I, Eccles, S.A, Linardopoulos, S, Blagg, J, Hoelder, S. | Deposit date: | 2015-10-28 | Release date: | 2016-11-09 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.66 Å) | Cite: | Rapid Discovery of Pyrido[3,4-d]pyrimidine Inhibitors of Monopolar Spindle kinase 1 (MPS1) Using a Structure-Based Hydridization Approach To Be Published
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8ETX
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8F6R
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![BU of 8f6r by Molmil](/molmil-images/mine/8f6r) | CryoEM structure of designed modular protein oligomer C6-79 | Descriptor: | De novo designed oligomeric protein C6-79 | Authors: | Redler, R.L, Edman, N.I, Baker, D, Ekiert, D, Bhabha, G. | Deposit date: | 2022-11-17 | Release date: | 2023-11-29 | Last modified: | 2024-07-24 | Method: | ELECTRON MICROSCOPY (4 Å) | Cite: | Modulation of FGF pathway signaling and vascular differentiation using designed oligomeric assemblies. Cell, 187, 2024
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8F6Q
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![BU of 8f6q by Molmil](/molmil-images/mine/8f6q) | CryoEM structure of designed modular protein oligomer C8-71 | Descriptor: | C8-71 | Authors: | Redler, R.L, Edman, N.I, Baker, D, Ekiert, D, Bhabha, G. | Deposit date: | 2022-11-17 | Release date: | 2023-11-29 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Modulation of FGF pathway signaling and vascular differentiation using designed oligomeric assemblies. Biorxiv, 2023
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8FQL
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![BU of 8fql by Molmil](/molmil-images/mine/8fql) | Portal vertex of HK97 phage | Descriptor: | Portal protein | Authors: | Huet, A, Oh, B, Maurer, J, Duda, R.L, Conway, J.F. | Deposit date: | 2023-01-06 | Release date: | 2023-06-28 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | A symmetry mismatch unraveled: How phage HK97 scaffold flexibly accommodates a 12-fold pore at a 5-fold viral capsid vertex. Sci Adv, 9, 2023
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8FQK
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![BU of 8fqk by Molmil](/molmil-images/mine/8fqk) | Asymmetric unit of HK97 phage prohead I | Descriptor: | Scaffolding domain delta | Authors: | Huet, A, Oh, B, Maurer, J, Duda, R.L, Conway, J.F. | Deposit date: | 2023-01-06 | Release date: | 2023-06-28 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | A symmetry mismatch unraveled: How phage HK97 scaffold flexibly accommodates a 12-fold pore at a 5-fold viral capsid vertex. Sci Adv, 9, 2023
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8F9Y
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![BU of 8f9y by Molmil](/molmil-images/mine/8f9y) | SAL1 from Arabidopsis thaliana | Descriptor: | MAGNESIUM ION, PHOSPHATE ION, SAL1 phosphatase | Authors: | Frkic, R.L, Kaczmarski, J.A, Tan, L, Jackson, C.J. | Deposit date: | 2022-11-24 | Release date: | 2023-01-18 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Sensing and signaling of oxidative stress in chloroplasts by inactivation of the SAL1 phosphoadenosine phosphatase. Proc.Natl.Acad.Sci.USA, 113, 2016
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