6QS7
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6QS6
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6QS4
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7TQ4
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![BU of 7tq4 by Molmil](/molmil-images/mine/7tq4) | Structure of SARS-CoV-2 3CL protease in complex with the cyclopropane based inhibitor 6c | Descriptor: | 3C-like proteinase, N~2~-({[(1R,2R)-2-(3-chlorophenyl)cyclopropyl]methoxy}carbonyl)-N-{(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide | Authors: | Lovell, S, Battaile, K.P, Nguyen, H.N, Chamandi, S.D, Picard, H.R, Madden, T.K, Thruman, H.A, Kim, Y, Groutas, W.C, Chang, K.O. | Deposit date: | 2022-01-26 | Release date: | 2022-06-22 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Broad-Spectrum Cyclopropane-Based Inhibitors of Coronavirus 3C-like Proteases: Biochemical, Structural, and Virological Studies. Acs Pharmacol Transl Sci, 6, 2023
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7TQ2
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![BU of 7tq2 by Molmil](/molmil-images/mine/7tq2) | Structure of SARS-CoV-2 3CL protease in complex with the cyclopropane based inhibitor 1c | Descriptor: | 3C-like proteinase, N-{(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-N~2~-({[(1R,2R)-2-phenylcyclopropyl]methoxy}carbonyl)-L-leucinamide | Authors: | Lovell, S, Kashipathy, M.M, Battaile, K.P, Nguyen, H.N, Chamandi, S.D, Picard, H.R, Madden, T.K, Thruman, H.A, Kim, Y, Groutas, W.C, Chang, K.O. | Deposit date: | 2022-01-26 | Release date: | 2022-06-22 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Broad-Spectrum Cyclopropane-Based Inhibitors of Coronavirus 3C-like Proteases: Biochemical, Structural, and Virological Studies. Acs Pharmacol Transl Sci, 6, 2023
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7TQ3
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![BU of 7tq3 by Molmil](/molmil-images/mine/7tq3) | Structure of SARS-CoV-2 3CL protease in complex with the cyclopropane based inhibitor 5c | Descriptor: | 3C-like proteinase, N~2~-({[(1R,2R)-2-(3-fluorophenyl)cyclopropyl]methoxy}carbonyl)-N-{(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide | Authors: | Lovell, S, Battaile, K.P, Nguyen, H.N, Chamandi, S.D, Picard, H.R, Madden, T.K, Thruman, H.A, Kim, Y, Groutas, W.C, Chang, K.O. | Deposit date: | 2022-01-26 | Release date: | 2022-06-22 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Broad-Spectrum Cyclopropane-Based Inhibitors of Coronavirus 3C-like Proteases: Biochemical, Structural, and Virological Studies. Acs Pharmacol Transl Sci, 6, 2023
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6R28
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7TQ8
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![BU of 7tq8 by Molmil](/molmil-images/mine/7tq8) | Structure of MERS 3CL protease in complex with the cyclopropane based inhibitor 14d | Descriptor: | (1R,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-2-{[N-({[(1R,2S)-2-propylcyclopropyl]methoxy}carbonyl)-L-leucyl]amino}propane-1-sulfonic acid, (1S,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-2-{[N-({[(1R,2S)-2-propylcyclopropyl]methoxy}carbonyl)-L-leucyl]amino}propane-1-sulfonic acid, Orf1a protein, ... | Authors: | Liu, L, Lovell, S, Battaile, K.P, Nguyen, H.N, Chamandi, S.D, Picard, H.R, Madden, T.K, Thruman, H.A, Kim, Y, Groutas, W.C, Chang, K.O. | Deposit date: | 2022-01-26 | Release date: | 2022-03-02 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Broad-Spectrum Cyclopropane-Based Inhibitors of Coronavirus 3C-like Proteases: Biochemical, Structural, and Virological Studies. Acs Pharmacol Transl Sci, 6, 2023
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3KGG
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![BU of 3kgg by Molmil](/molmil-images/mine/3kgg) | X-ray structure of perdeuterated diisopropyl fluorophosphatase (DFPase): Perdeuteration of proteins for neutron diffraction | Descriptor: | CALCIUM ION, Diisopropyl-fluorophosphatase | Authors: | Blum, M.-M, Tomanicek, S.J, John, H, Hanson, B.L, terjans, H.R, Schoenborn, B.P, Langan, P, Chen, J.C.-H. | Deposit date: | 2009-10-29 | Release date: | 2010-04-07 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | X-ray structure of perdeuterated diisopropyl fluorophosphatase (DFPase): perdeuteration of proteins for neutron diffraction. Acta Crystallogr.,Sect.F, 66, 2010
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1UZF
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![BU of 1uzf by Molmil](/molmil-images/mine/1uzf) | Complex of the anti-hypertensive drug captopril an the human testicular angiotensin I-converting enzyme | Descriptor: | 1-(3-MERCAPTO-2-METHYL-PROPIONYL)-PYRROLIDINE-2-CARBOXYLIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, ANGIOTENSIN CONVERTING ENZYME, ... | Authors: | Natesh, R, Schwager, S.L.U, Evans, H.R, Sturrock, E.D, Acharya, K.R. | Deposit date: | 2004-03-11 | Release date: | 2004-07-16 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural Details on the Binding of Antihypertensive Drugs Captopril and Enalaprilat to Human Testicular Angiotensin I-Converting Enzyme Biochemistry, 43, 2004
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1UZE
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![BU of 1uze by Molmil](/molmil-images/mine/1uze) | Complex of the anti-hypertensive drug enalaprilat and the human testicular angiotensin I-converting enzyme | Descriptor: | 1-((2S)-2-{[(1S)-1-CARBOXY-3-PHENYLPROPYL]AMINO}PROPANOYL)-L-PROLINE, ANGIOTENSIN CONVERTING ENZYME, CHLORIDE ION, ... | Authors: | Natesh, R, Schwager, S.L.U, Evans, H.R, Sturrock, E.D, Acharya, K.R. | Deposit date: | 2004-03-11 | Release date: | 2004-07-16 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Structural Details on the Binding of Antihypertensive Drugs Captopril and Enalaprilat to Human Testicular Angiotensin I-Converting Enzyme Biochemistry, 43, 2004
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1UZI
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![BU of 1uzi by Molmil](/molmil-images/mine/1uzi) | C3 EXOENZYME FROM CLOSTRIDIUM BOTULINUM, TETRAGONAL FORM | Descriptor: | CYCLO-TETRAMETAVANADATE, GLYCEROL, MONO-ADP-RIBOSYLTRANSFERASE C3, ... | Authors: | Evans, H.R, Holloway, D.E, Sutton, J.M, Ayriss, J, Shone, C.C, Acharya, K.R. | Deposit date: | 2004-03-12 | Release date: | 2004-07-29 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | C3 Exoenzyme from Clostridium Botulinum: Structure of a Tetragonal Crystal Form and a Reassessment of Nad-Induced Flexure Acta Crystallogr.,Sect.D, 60, 2004
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3L8Y
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![BU of 3l8y by Molmil](/molmil-images/mine/3l8y) | Complex of Ras with cyclen | Descriptor: | 1,4,7,10-tetraazacyclododecane, CALCIUM ION, GTPase HRas, ... | Authors: | Rosnizeck, I.C, Graf, T, Spoerner, M, Traenkle, J, Filchtinski, D, Herrmann, C, Gremer, L, Vetter, I.R, Wittinghofer, A, Koenig, B, Kalbitzer, H.R. | Deposit date: | 2010-01-04 | Release date: | 2011-01-05 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | Stabilizing a weak binding state for effectors in the human ras protein by cyclen complexes Angew.Chem.Int.Ed.Engl., 49, 2010
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3L8Z
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![BU of 3l8z by Molmil](/molmil-images/mine/3l8z) | H-Ras wildtype new crystal form | Descriptor: | CALCIUM ION, GTPase HRas, MAGNESIUM ION, ... | Authors: | Rosnizeck, I.C, Graf, T, Spoerner, M, Traenkle, J, Filchtinski, D, Herrmann, C, Gremer, L, Vetter, I.R, Wittinghofer, A, Koenig, B, Kalbitzer, H.R. | Deposit date: | 2010-01-04 | Release date: | 2011-01-05 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.44 Å) | Cite: | Stabilizing a weak binding state for effectors in the human ras protein by cyclen complexes Angew.Chem.Int.Ed.Engl., 49, 2010
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7NQC
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![BU of 7nqc by Molmil](/molmil-images/mine/7nqc) | Calmodulin extracts the Ras family protein RalA from lipid bilayers by engagement with two membrane targeting motifs | Descriptor: | CALCIUM ION, Calmodulin-1, PRO-ASN-GLY-LYS-LYS-LYS-ARG-LYS-SER-LEU-ALA-LYS-ARG-ILE-ARG-GLU-ARG-CMF, ... | Authors: | Chamberlain, S.G, Owen, D, Mott, H.R. | Deposit date: | 2021-03-01 | Release date: | 2021-09-22 | Method: | SOLUTION NMR | Cite: | Calmodulin extracts the Ras family protein RalA from lipid bilayers by engagement with two membrane-targeting motifs. Proc.Natl.Acad.Sci.USA, 118, 2021
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2W7S
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![BU of 2w7s by Molmil](/molmil-images/mine/2w7s) | SplA serine protease of Staphylococcus aureus (1.8A) | Descriptor: | SERINE PROTEASE SPLA | Authors: | Stec-Niemczyka, J, Pustelny, K, Kisielewska, M, Bista, M, Boulware, K.T, Stennicke, H.R, Thogersen, I.B, Daugherty, P.S, Enghild, J.J, Popowicz, G.M, Dubin, A, Potempa, J, Dubin, G. | Deposit date: | 2008-12-30 | Release date: | 2010-03-31 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural and Functional Characterization of Spla, an Exclusively Specific Protease of Staphylococcus Aureus Biochem.J., 419, 2009
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7OGC
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![BU of 7ogc by Molmil](/molmil-images/mine/7ogc) | GTPase HRAS under 650 MPa pressure | Descriptor: | GTPase HRas, MAGNESIUM ION, PENTAETHYLENE GLYCOL, ... | Authors: | Colloc'h, N.C, Girard, E, Prange, T, Kalbitzer, H.R. | Deposit date: | 2021-05-06 | Release date: | 2022-02-09 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Equilibria between conformational states of the Ras oncogene protein revealed by high pressure crystallography. Chem Sci, 13, 2022
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7OGA
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![BU of 7oga by Molmil](/molmil-images/mine/7oga) | GTPase HRAS under 200 MPa pressure | Descriptor: | GTPase HRas, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ... | Authors: | Colloc'h, N.C, Kalbitzer, H.R, Girard, E, Prange, T. | Deposit date: | 2021-05-06 | Release date: | 2022-02-09 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Equilibria between conformational states of the Ras oncogene protein revealed by high pressure crystallography. Chem Sci, 13, 2022
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7OGD
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![BU of 7ogd by Molmil](/molmil-images/mine/7ogd) | GTPase HRAS mutant D33K under ambient pressure | Descriptor: | GTPase HRas, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ... | Authors: | Colloc'h, N.C, Girard, E, Prange, T, Kalbitzer, H.R. | Deposit date: | 2021-05-06 | Release date: | 2022-02-09 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Equilibria between conformational states of the Ras oncogene protein revealed by high pressure crystallography. Chem Sci, 13, 2022
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3LO8
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7OG9
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![BU of 7og9 by Molmil](/molmil-images/mine/7og9) | GTPase HRAS under ambient pressure | Descriptor: | GTPase HRas, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ... | Authors: | Colloc'h, N, Girard, E, Prange, T, Kalbitzer, H.R. | Deposit date: | 2021-05-06 | Release date: | 2022-02-09 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Equilibria between conformational states of the Ras oncogene protein revealed by high pressure crystallography. Chem Sci, 13, 2022
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7OGB
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![BU of 7ogb by Molmil](/molmil-images/mine/7ogb) | GTPase HRAS under 500 MPa pressure | Descriptor: | GTPase HRas, MAGNESIUM ION, PENTAETHYLENE GLYCOL, ... | Authors: | Colloc'h, N.C, Girard, E, Prange, T, Kalbitzer, H.R. | Deposit date: | 2021-05-06 | Release date: | 2022-02-09 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Equilibria between conformational states of the Ras oncogene protein revealed by high pressure crystallography. Chem Sci, 13, 2022
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7OGF
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![BU of 7ogf by Molmil](/molmil-images/mine/7ogf) | GTPase HRAS mutant D33K under 900 MPa pressure | Descriptor: | GTPase HRas, MAGNESIUM ION, PENTAETHYLENE GLYCOL, ... | Authors: | Colloc'h, N.C, Girard, E, Prange, T, Kalbitzer, H.R. | Deposit date: | 2021-05-06 | Release date: | 2022-02-09 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Equilibria between conformational states of the Ras oncogene protein revealed by high pressure crystallography. Chem Sci, 13, 2022
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7OGE
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![BU of 7oge by Molmil](/molmil-images/mine/7oge) | GTPase HRAS mutant D33K under 200 MPa pressure | Descriptor: | GTPase HRas, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ... | Authors: | Colloc'h, N.C, Girard, E, Prange, T, Kalbitzer, H.R. | Deposit date: | 2021-05-06 | Release date: | 2022-02-09 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Equilibria between conformational states of the Ras oncogene protein revealed by high pressure crystallography. Chem Sci, 13, 2022
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7QSM
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![BU of 7qsm by Molmil](/molmil-images/mine/7qsm) | Bovine complex I in lipid nanodisc, Deactive-ligand (composite) | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, Acyl carrier protein, ... | Authors: | Chung, I, Bridges, H.R, Hirst, J. | Deposit date: | 2022-01-13 | Release date: | 2022-05-25 | Last modified: | 2022-09-28 | Method: | ELECTRON MICROSCOPY (2.3 Å) | Cite: | Cryo-EM structures define ubiquinone-10 binding to mitochondrial complex I and conformational transitions accompanying Q-site occupancy. Nat Commun, 13, 2022
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