6ZYB
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5CRF
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![BU of 5crf by Molmil](/molmil-images/mine/5crf) | Structure of the penicillin-binding protein PonA1 from Mycobacterium Tuberculosis | Descriptor: | PHOSPHATE ION, Penicillin-binding protein 1A | Authors: | Filippova, E.V, Wawrzak, Z, Kiryukhina, O, Kieser, K, Endres, M, Rubin, E, Sacchettini, J, Joachimiak, A, Anderson, W.F, Midwest Center for Structural Genomics (MCSG), Structures of Mtb Proteins Conferring Susceptibility to Known Mtb Inhibitors (MTBI) | Deposit date: | 2015-07-22 | Release date: | 2016-05-04 | Last modified: | 2016-07-06 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structures of the transpeptidase domain of the Mycobacterium tuberculosis penicillin-binding protein PonA1 reveal potential mechanisms of antibiotic resistance. Febs J., 283, 2016
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5EKI
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2UWE
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![BU of 2uwe by Molmil](/molmil-images/mine/2uwe) | Large CDR3a loop alteration as a function of MHC mutation | Descriptor: | AHIII TCR ALPHA CHAIN, AHIII TCR BETA CHAIN, BETA-2-MICROGLOBULIN, ... | Authors: | Miller, P.J, Pazy, Y, Conti, B, Riddle, D, Biddison, W.E, Appella, E, Collins, E.J. | Deposit date: | 2007-03-20 | Release date: | 2007-09-25 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Single Mhc Mutation Eliminates Enthalpy Associated with T Cell Receptor Binding. J.Mol.Biol., 373, 2007
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6WKY
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![BU of 6wky by Molmil](/molmil-images/mine/6wky) | Cryo-EM of Form 1 related peptide filament, 29-24-3 | Descriptor: | peptide 29-24-3 | Authors: | Wang, F, Gnewou, O.M, Egelman, E.H, Conticello, V.P. | Deposit date: | 2020-04-17 | Release date: | 2020-12-02 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (4.2 Å) | Cite: | Structural analysis of cross alpha-helical nanotubes provides insight into the designability of filamentous peptide nanomaterials. Nat Commun, 12, 2021
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6WL4
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![BU of 6wl4 by Molmil](/molmil-images/mine/6wl4) | preTCRbeta-pMHC complex crystal structure | Descriptor: | ARG-GLY-TYR-VAL-TYR-GLN-GLY-LEU, H-2 class I histocompatibility antigen, K-B alpha chain, ... | Authors: | Li, X, Mallis, R.J, Mizsei, R, Tan, K, Reinherz, E.L, Wang, J. | Deposit date: | 2020-04-18 | Release date: | 2020-12-23 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3.6 Å) | Cite: | Pre-T cell receptors topologically sample self-ligands during thymocyte beta-selection. Science, 371, 2021
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6IWB
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![BU of 6iwb by Molmil](/molmil-images/mine/6iwb) | Crystal structure of a computationally designed protein (LD3) in complex with BCL-2 | Descriptor: | Apolipoprotein E, Apoptosis regulator Bcl-2,Apoptosis regulator Bcl-2, SULFATE ION | Authors: | Kim, S, Kwak, M.J, Oh, B.-H, Correia, B.E, Gainza, P. | Deposit date: | 2018-12-05 | Release date: | 2019-12-11 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | A computationally designed chimeric antigen receptor provides a small-molecule safety switch for T-cell therapy. Nat.Biotechnol., 38, 2020
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8Q0E
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1NUV
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![BU of 1nuv by Molmil](/molmil-images/mine/1nuv) | The Leadzyme Ribozyme Bound to Mg(H2O)6(II) and Sr(II) at 1.8 A resolution | Descriptor: | 5'-R(*CP*GP*GP*AP*CP*CP*GP*AP*GP*CP*CP*AP*G)-3', 5'-R(*GP*CP*UP*GP*GP*GP*AP*GP*UP*CP*C)-3', MAGNESIUM ION, ... | Authors: | Wedekind, J.E, Mckay, D.B. | Deposit date: | 2003-02-01 | Release date: | 2003-08-19 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | Crystal structure of the leadzyme at 1.8 A resolution: metal ion binding and the implications
for catalytic mechanism and allo site ion regulation. BIOCHEMISTRY, 42, 2003
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6G8R
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![BU of 6g8r by Molmil](/molmil-images/mine/6g8r) | SP140 PHD-Bromodomain complex with scFv | Descriptor: | 1,2-ETHANEDIOL, Nuclear body protein SP140, ZINC ION, ... | Authors: | Fairhead, M, Graslund, S, Strain-Damerell, C, Picaud, S.S, Pike, A.C.W, Pinkas, D.M, Wigren, E, Preger, C, Persson Lotsholm, H, Ossipova, E, Filippakopoulos, P, Burgess-Brown, N.A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, von Delft, F, Structural Genomics Consortium (SGC) | Deposit date: | 2018-04-09 | Release date: | 2018-04-18 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.74 Å) | Cite: | SP140 PHD-Bromodomain complex with scFv To Be Published
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8OV5
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6FRO
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![BU of 6fro by Molmil](/molmil-images/mine/6fro) | Crystal structure of Hen Egg-White Lysozyme co-crystallized in presence of 100 mM Tb-Xo4 and 100 mM potassium iodide. | Descriptor: | IODIDE ION, Lysozyme C, SODIUM ION, ... | Authors: | Engilberge, S, Riobe, F, Di Pietro, S, Girard, E, Dumont, E, Maury, O. | Deposit date: | 2018-02-16 | Release date: | 2018-10-03 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.42 Å) | Cite: | Unveiling the Binding Modes of the Crystallophore, a Terbium-based Nucleating and Phasing Molecular Agent for Protein Crystallography. Chemistry, 24, 2018
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7ZPC
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![BU of 7zpc by Molmil](/molmil-images/mine/7zpc) | CDK2 in complex 9K-DOS | Descriptor: | Cyclin-dependent kinase 2, ~{N}-(1-methylpyrazol-4-yl)-5-phenyl-pyrazolo[1,5-a]pyrimidine-7-carboxamide | Authors: | Watt, J.E, Martin, M.P, Noble, M.E.N. | Deposit date: | 2022-04-27 | Release date: | 2023-02-01 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Build-Couple-Transform: A Paradigm for Lead-like Library Synthesis with Scaffold Diversity. J.Med.Chem., 65, 2022
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8TVZ
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7NGB
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![BU of 7ngb by Molmil](/molmil-images/mine/7ngb) | Structure of Wild-Type Human Potassium Chloride Transporter KCC3 in NaCl (LMNG/CHS) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Isoform 2 of Solute carrier family 12 member 6, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | Authors: | Chi, G, Man, H, Pike, A.C.W, Wang, D, McKinley, G, Mukhopadhyay, S.M.M, MacLean, E.M, Chalk, R, Moreau, C, Snee, M, Abrusci, P, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Marsden, B.D, Burgess-Brown, N.A, Duerr, K.L. | Deposit date: | 2021-02-09 | Release date: | 2021-06-09 | Last modified: | 2021-07-28 | Method: | ELECTRON MICROSCOPY (3.64 Å) | Cite: | Phospho-regulation, nucleotide binding and ion access control in potassium-chloride cotransporters. Embo J., 40, 2021
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5AJX
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![BU of 5ajx by Molmil](/molmil-images/mine/5ajx) | Human PFKFB3 in complex with an indole inhibitor 3 | Descriptor: | (2S)-N-[4-[3-cyano-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]indol-5-yl]oxyphenyl]pyrrolidine-2-carboxamide, 6-O-phosphono-beta-D-fructofuranose, 6-PHOSPHOFRUCTO-2-KINASE/FRUCTOSE-2,6-BISPHOSPHATASE 3, ... | Authors: | Boyd, S, Brookfield, J.L, Critchlow, S.E, Cumming, I.A, Curtis, N.J, Debreczeni, J.E, Degorce, S.L, Donald, C, Evans, N.J, Groombridge, S, Hopcroft, P, Jones, N.P, Kettle, J.G, Lamont, S, Lewis, H.J, MacFaull, P, McLoughlin, S.B, Rigoreau, L.J.M, Smith, J.M, St-Gallay, S, Stock, J.K, Wheatley, E.R, Winter, J, Wingfield, J. | Deposit date: | 2015-02-27 | Release date: | 2015-04-22 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.58 Å) | Cite: | Structure-Based Design of Potent and Selective Inhibitors of the Metabolic Kinase Pfkfb3. J.Med.Chem., 58, 2015
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7NHU
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8DGB
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![BU of 8dgb by Molmil](/molmil-images/mine/8dgb) | Crystal Structure of SARS-CoV-2 Main Protease (Mpro) Q192T Mutant in Complex with Inhibitor GC376 | Descriptor: | (1R,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase nsp5 | Authors: | Lewandowski, E.M, Jacobs, L.M.C, Hu, Y, Tan, H, Wang, J, Chen, Y. | Deposit date: | 2022-06-23 | Release date: | 2022-07-13 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.87 Å) | Cite: | Naturally Occurring Mutations of SARS-CoV-2 Main Protease Confer Drug Resistance to Nirmatrelvir. Acs Cent.Sci., 9, 2023
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6VY1
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![BU of 6vy1 by Molmil](/molmil-images/mine/6vy1) | Cryo-EM structure of filamentous PFD from Methanocaldococcus jannaschii | Descriptor: | Prefoldin subunit alpha 2 | Authors: | Wang, F, Chen, Y.X, Ing, N.L, Hochbaum, A.I, Clark, D.S, Glover, D.J, Egelman, E.H. | Deposit date: | 2020-02-25 | Release date: | 2020-05-13 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (6 Å) | Cite: | Structural Determination of a Filamentous Chaperone to Fabricate Electronically Conductive Metalloprotein Nanowires. Acs Nano, 14, 2020
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8DCZ
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![BU of 8dcz by Molmil](/molmil-images/mine/8dcz) | Crystal Structure of SARS-CoV-2 Main Protease (Mpro) M165Y Mutant in Complex with Nirmatrelvir | Descriptor: | (1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5 | Authors: | Lewandowski, E.M, Hu, Y, Tan, H, Wang, J, Chen, Y. | Deposit date: | 2022-06-17 | Release date: | 2022-07-13 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.38 Å) | Cite: | Naturally Occurring Mutations of SARS-CoV-2 Main Protease Confer Drug Resistance to Nirmatrelvir. Acs Cent.Sci., 9, 2023
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6VLD
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![BU of 6vld by Molmil](/molmil-images/mine/6vld) | Crystal structure of human alpha 1,6-fucosyltransferase, FUT8 bound to GDP and A2SGP | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ASPARAGINE, Alpha-(1,6)-fucosyltransferase, ... | Authors: | Jarva, M.A, Dramicanin, M, Lingford, J.P, Mao, R, John, A, Goddard-Borger, E.D. | Deposit date: | 2020-01-23 | Release date: | 2020-02-26 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.28 Å) | Cite: | Structural basis of substrate recognition and catalysis by fucosyltransferase 8. J.Biol.Chem., 295, 2020
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8A62
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![BU of 8a62 by Molmil](/molmil-images/mine/8a62) | Small molecule stabilizer (compound 2) for FOXO1 and 14-3-3 | Descriptor: | (3~{S})-1-[3,5-bis(chloranyl)-4-oxidanyl-phenyl]carbonyl-~{N}-[2-[2-(dimethylamino)ethyldisulfanyl]ethyl]piperidine-3-carboxamide, 14-3-3 protein sigma, Forkhead box protein O1, ... | Authors: | Kenanova, D.N, Visser, E.J, Virta, J, Sijbesma, E, Centorrino, F, Zhong, M, Vickery, H, Neitz, J, Brunsveld, L, Ottmann, C, Arkin, M.R. | Deposit date: | 2022-06-16 | Release date: | 2023-04-26 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | A Systematic Approach to the Discovery of Protein-Protein Interaction Stabilizers. Acs Cent.Sci., 9, 2023
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8A6H
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![BU of 8a6h by Molmil](/molmil-images/mine/8a6h) | Small molecule stabilizer (compound 7) for C-RAF and 14-3-3 | Descriptor: | 14-3-3 protein sigma, 3-[2-(dimethylamino)ethyldisulfanyl]-1-[4-oxidanyl-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]propan-1-one, CHLORIDE ION, ... | Authors: | Kenanova, D.N, Visser, E.J, Virta, J, Sijbesma, E, Centorrino, F, Zhong, M, Vickery, H, Neitz, J, Brunsveld, L, Ottmann, C, Arkin, M.R. | Deposit date: | 2022-06-17 | Release date: | 2023-04-26 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | A Systematic Approach to the Discovery of Protein-Protein Interaction Stabilizers. Acs Cent.Sci., 9, 2023
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8DEV
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6VOJ
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![BU of 6voj by Molmil](/molmil-images/mine/6voj) | Chloroplast ATP synthase (R3, CF1FO) | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP synthase delta chain, ... | Authors: | Yang, J.-H, Williams, D, Kandiah, E, Fromme, P, Chiu, P.-L. | Deposit date: | 2020-01-30 | Release date: | 2020-09-09 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (4.34 Å) | Cite: | Structural basis of redox modulation on chloroplast ATP synthase. Commun Biol, 3, 2020
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