1YET
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3NUL
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![BU of 3nul by Molmil](/molmil-images/mine/3nul) | Profilin I from Arabidopsis thaliana | Descriptor: | GLYCEROL, PROFILIN I, SULFATE ION | Authors: | Thorn, K, Christensen, H.E.M, Shigeta, R, Huddler, D, Chua, N.-H, Shalaby, L, Lindberg, U, Schutt, C.E. | Deposit date: | 1996-11-27 | Release date: | 1997-12-03 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | The crystal structure of a major allergen from plants. Structure, 5, 1997
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8T4O
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![BU of 8t4o by Molmil](/molmil-images/mine/8t4o) | Human mitochondrial serine hydroxymethyltransferase (SHMT2) in complex with PLP, glycine and AGF347 inhibitor with no glutamate | Descriptor: | 4-[4-(2-amino-4-oxo-3,4-dihydro-5H-pyrrolo[3,2-d]pyrimidin-5-yl)butyl]-2-fluorobenzoic acid, N-GLYCINE-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YL-METHANE], Serine hydroxymethyltransferase, ... | Authors: | Katinas, J.M, Dann III, C.E. | Deposit date: | 2023-06-09 | Release date: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.68 Å) | Cite: | Structural Characterization of 5-Substituted Pyrrolo[3,2- d ]pyrimidine Antifolate Inhibitors in Complex with Human Serine Hydroxymethyl Transferase 2. Biochemistry, 2024
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8T4P
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![BU of 8t4p by Molmil](/molmil-images/mine/8t4p) | Human mitochondrial serine hydroxymethyltransferase (SHMT2) in complex with PLP, glycine and di-glutamate AGF347 inhibitor | Descriptor: | N-GLYCINE-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YL-METHANE], N-{4-[4-(2-amino-4-oxo-3,4-dihydro-5H-pyrrolo[3,2-d]pyrimidin-5-yl)butyl]-2-fluorobenzoyl}-L-gamma-glutamyl-L-glutamic acid, Serine hydroxymethyltransferase, ... | Authors: | Katinas, J.M, Dann III, C.E. | Deposit date: | 2023-06-09 | Release date: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.801 Å) | Cite: | Structural Characterization of 5-Substituted Pyrrolo[3,2- d ]pyrimidine Antifolate Inhibitors in Complex with Human Serine Hydroxymethyl Transferase 2. Biochemistry, 2024
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8TLC
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![BU of 8tlc by Molmil](/molmil-images/mine/8tlc) | Human mitochondrial serine hydroxymethyltransferase (SHMT2) in complex with PLP, glycine and tri-glutamate AGF347 inhibitor | Descriptor: | N-{4-[4-(2-amino-4-oxo-1,4-dihydro-5H-pyrrolo[3,2-d]pyrimidin-5-yl)butyl]-2-fluorobenzoyl}-D-gamma-glutamyl-L-gamma-glutamyl-D-glutamic acid, Serine hydroxymethyltransferase, mitochondrial | Authors: | Katinas, J.M, Dann III, C.E. | Deposit date: | 2023-07-26 | Release date: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.72 Å) | Cite: | Structural Characterization of 5-Substituted Pyrrolo[3,2- d ]pyrimidine Antifolate Inhibitors in Complex with Human Serine Hydroxymethyl Transferase 2. Biochemistry, 2024
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8RJZ
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![BU of 8rjz by Molmil](/molmil-images/mine/8rjz) | Crystal structure of SARS-CoV-2 main protease (MPro) in complex with the non-covalent inhibitor GUE-3801 (compound 80 in publication) | Descriptor: | (7~{S})-6-[2-[2,4-bis(chloranyl)phenoxy]ethanoyl]-14-fluoranyl-10-(iminomethyl)-9-methyl-7-(phenylmethyl)-2-oxa-6,9,10-triazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-8-one, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3C-like proteinase nsp5, ... | Authors: | Strater, N, Claff, T, Sylvester, K, Mueller, C.E, Guetschow, M, Useini, A. | Deposit date: | 2023-12-22 | Release date: | 2024-05-29 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Macrocyclic Azapeptide Nitriles: Structure-Based Discovery of Potent SARS-CoV-2 Main Protease Inhibitors as Antiviral Drugs. J.Med.Chem., 67, 2024
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8RJY
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![BU of 8rjy by Molmil](/molmil-images/mine/8rjy) | Crystal structure of SARS-CoV-2 main protease (MPro) in complex with the covalent inhibitor GUE-3899 (compound 58 in publication) | Descriptor: | 3C-like proteinase nsp5, ~{N}-[(2~{S})-1-[[(2~{S})-1-[[(4-chlorophenyl)methyl-(iminomethyl)amino]-methyl-amino]-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-3,3-dimethyl-1-oxidanylidene-butan-2-yl]thiophene-2-carboxamide | Authors: | Strater, N, Claff, T, Sylvester, K, Mueller, C.E, Guetschow, M, Useini, A. | Deposit date: | 2023-12-22 | Release date: | 2024-05-29 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | Macrocyclic Azapeptide Nitriles: Structure-Based Discovery of Potent SARS-CoV-2 Main Protease Inhibitors as Antiviral Drugs. J.Med.Chem., 67, 2024
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8RJV
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![BU of 8rjv by Molmil](/molmil-images/mine/8rjv) | Crystal structure of SARS-CoV-2 main protease (MPro) in complex with the covalent inhibitor GUE-3778 (compound 12 in publication) | Descriptor: | (phenylmethyl) ~{N}-[(2~{S})-1-[[(3-chloranyl-2-fluoranyl-phenyl)methyl-(iminomethyl)amino]-methyl-amino]-1-oxidanylidene-3-phenyl-propan-2-yl]carbamate, 3C-like proteinase nsp5 | Authors: | Strater, N, Claff, T, Sylvester, K, Mueller, C.E, Guetschow, M, Useini, A. | Deposit date: | 2023-12-21 | Release date: | 2024-05-29 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.91 Å) | Cite: | Macrocyclic Azapeptide Nitriles: Structure-Based Discovery of Potent SARS-CoV-2 Main Protease Inhibitors as Antiviral Drugs. J.Med.Chem., 67, 2024
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4F2E
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4X89
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![BU of 4x89 by Molmil](/molmil-images/mine/4x89) | NavMs voltage-gated sodium channal pore and C-terminal domain soaked with Silver nitrate | Descriptor: | HEGA-10, Ion transport protein, PENTAETHYLENE GLYCOL, ... | Authors: | Naylor, C.E, Bagneris, C, Wallace, B.A. | Deposit date: | 2014-12-10 | Release date: | 2016-03-09 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.62 Å) | Cite: | Molecular basis of ion permeability in a voltage-gated sodium channel. Embo J., 35, 2016
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4OXS
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![BU of 4oxs by Molmil](/molmil-images/mine/4oxs) | Structure of NavMS in complex with channel blocking compound | Descriptor: | BROMIDE ION, HEGA-10, Ion transport protein, ... | Authors: | Naylor, C.E, Bagneris, C, Wallace, B.A. | Deposit date: | 2014-02-06 | Release date: | 2014-06-04 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Prokaryotic NavMs channel as a structural and functional model for eukaryotic sodium channel antagonism. Proc.Natl.Acad.Sci.USA, 111, 2014
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4P9O
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4PA7
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![BU of 4pa7 by Molmil](/molmil-images/mine/4pa7) | Structure of NavMS pore and C-terminal domain crystallised in presence of channel blocking compound | Descriptor: | DODECAETHYLENE GLYCOL, HEGA-10, Ion transport protein, ... | Authors: | Naylor, C.E, Bagneris, C, Wallace, B.A. | Deposit date: | 2014-04-07 | Release date: | 2014-06-04 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3.02 Å) | Cite: | Prokaryotic NavMs channel as a structural and functional model for eukaryotic sodium channel antagonism. Proc.Natl.Acad.Sci.USA, 111, 2014
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6P2T
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![BU of 6p2t by Molmil](/molmil-images/mine/6p2t) | BshB from Bacillus subtilis complexed with citrate | Descriptor: | CITRIC ACID, N-acetyl-alpha-D-glucosaminyl L-malate deacetylase 1, SODIUM ION, ... | Authors: | Cook, P.D, Meloche, C.E. | Deposit date: | 2019-05-22 | Release date: | 2020-01-08 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.853 Å) | Cite: | X-ray crystallographic structure of BshB, the zinc-dependent deacetylase involved in bacillithiol biosynthesis. Protein Sci., 29, 2020
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3LW9
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4P2Z
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![BU of 4p2z by Molmil](/molmil-images/mine/4p2z) | Structure of NavMS T207A/F214A | Descriptor: | DODECAETHYLENE GLYCOL, HEGA-10, Ion transport protein, ... | Authors: | Bagneris, C, Naylor, C.E, Wallace, B.A. | Deposit date: | 2014-03-05 | Release date: | 2014-06-04 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3.08 Å) | Cite: | Prokaryotic NavMs channel as a structural and functional model for eukaryotic sodium channel antagonism. Proc.Natl.Acad.Sci.USA, 111, 2014
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3J9P
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![BU of 3j9p by Molmil](/molmil-images/mine/3j9p) | Structure of the TRPA1 ion channel determined by electron cryo-microscopy | Descriptor: | Maltose-binding periplasmic protein, Transient receptor potential cation channel subfamily A member 1 chimera | Authors: | Paulsen, C.E, Armache, J.-P, Gao, Y, Cheng, Y, Julius, D. | Deposit date: | 2015-02-14 | Release date: | 2015-04-08 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (4.24 Å) | Cite: | Structure of the TRPA1 ion channel suggests regulatory mechanisms. Nature, 520, 2015
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4PA4
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![BU of 4pa4 by Molmil](/molmil-images/mine/4pa4) | Structure of NavMS in complex with channel blocking compound | Descriptor: | BROMIDE ION, DODECAETHYLENE GLYCOL, HEGA-10, ... | Authors: | Naylor, C.E, Bagneris, C, Wallace, B.A. | Deposit date: | 2014-04-07 | Release date: | 2014-06-04 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (3.02 Å) | Cite: | Prokaryotic NavMs channel as a structural and functional model for eukaryotic sodium channel antagonism. Proc.Natl.Acad.Sci.USA, 111, 2014
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6P9E
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![BU of 6p9e by Molmil](/molmil-images/mine/6p9e) | Crystal structure of IL-36gamma complexed to A-552 | Descriptor: | (2S)-2-{[4-(3-amino-4-methylphenyl)-6-methylpyrimidin-2-yl]oxy}-3-methoxy-3,3-diphenylpropanoic acid, Interleukin-36 gamma | Authors: | Argiriadi, M.A, Todorovic, T, Su, Z, Putman, B, Kakavas, S.J, Salte, K.M, McDonald, H.A, Wetter, J.B, Paulsboe, S.E, Sun, Q, Gerstein, C.E, Medina, L, Sielaff, B, Sadhukhan, R, Stockmann, H, Richardson, P.L, Qiu, W, Henry, R.F, Herold, J.M, Shotwell, J.B, McGaraughty, S.P, Honore, P, Gopalakrishnan, S.M, Sun, C.C, Scott, V.E. | Deposit date: | 2019-06-10 | Release date: | 2019-06-26 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Small Molecule IL-36 gamma Antagonist as a Novel Therapeutic Approach for Plaque Psoriasis. Sci Rep, 9, 2019
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4F2F
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![BU of 4f2f by Molmil](/molmil-images/mine/4f2f) | Crystal structure of the metal binding domain (MBD) of the Streptococcus pneumoniae D39 Cu(I) exporting P-type ATPase CopA with Cu(I) | Descriptor: | CHLORIDE ION, COPPER (I) ION, Cation-transporting ATPase, ... | Authors: | Fu, Y, Dann III, C.E, Giedroc, D.P. | Deposit date: | 2012-05-07 | Release date: | 2013-01-30 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | A new structural paradigm in copper resistance in Streptococcus pneumoniae. Nat.Chem.Biol., 9, 2013
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4P30
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![BU of 4p30 by Molmil](/molmil-images/mine/4p30) | Structure of NavMS mutant in presence of PI1 compound | Descriptor: | DODECAETHYLENE GLYCOL, HEGA-10, Ion transport protein, ... | Authors: | Bagneris, C, Naylor, C.E, Wallace, B.A. | Deposit date: | 2014-03-05 | Release date: | 2014-06-04 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3.31 Å) | Cite: | Prokaryotic NavMs channel as a structural and functional model for eukaryotic sodium channel antagonism. Proc.Natl.Acad.Sci.USA, 111, 2014
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4PA6
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![BU of 4pa6 by Molmil](/molmil-images/mine/4pa6) | Structure of NavMS pore and C-terminal domain crystallised in the presence of channel blocking compound | Descriptor: | DODECAETHYLENE GLYCOL, HEGA-10, Ion transport protein, ... | Authors: | Naylor, C.E, Bagneris, C, Wallace, B.A. | Deposit date: | 2014-04-07 | Release date: | 2014-06-04 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3.36 Å) | Cite: | Prokaryotic NavMs channel as a structural and functional model for eukaryotic sodium channel antagonism. Proc.Natl.Acad.Sci.USA, 111, 2014
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4X8A
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![BU of 4x8a by Molmil](/molmil-images/mine/4x8a) | NavMS pore and C-terminal domain grown from protein purified in LiCl | Descriptor: | HEGA-10, Ion transport protein, NONAETHYLENE GLYCOL, ... | Authors: | Naylor, C.E, Bagneris, C, Wallace, B.A. | Deposit date: | 2014-12-10 | Release date: | 2016-03-09 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (3.02 Å) | Cite: | Molecular basis of ion permeability in a voltage-gated sodium channel. Embo J., 35, 2016
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3MHS
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![BU of 3mhs by Molmil](/molmil-images/mine/3mhs) | Structure of the SAGA Ubp8/Sgf11/Sus1/Sgf73 DUB module bound to ubiquitin aldehyde | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, Protein SUS1, ... | Authors: | Samara, N.L, Datta, A.B, Berndsen, C.E, Zhang, X, Yao, T, Cohen, R.E, Wolberger, C. | Deposit date: | 2010-04-08 | Release date: | 2010-04-21 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | Structural insights into the assembly and function of the SAGA deubiquitinating module. Science, 328, 2010
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3MHH
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![BU of 3mhh by Molmil](/molmil-images/mine/3mhh) | Structure of the SAGA Ubp8/Sgf11/Sus1/Sgf73 DUB module | Descriptor: | Protein SUS1, SAGA-associated factor 11, SAGA-associated factor 73, ... | Authors: | Samara, N.L, Datta, A.B, Berndsen, C.E, Zhang, X, Yao, T, Cohen, R.E, Wolberger, C. | Deposit date: | 2010-04-08 | Release date: | 2010-04-21 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Structural insights into the assembly and function of the SAGA deubiquitinating module. Science, 328, 2010
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