4AY7
 
 | | methyltransferase from Methanosarcina mazei | | Descriptor: | MAGNESIUM ION, METHYLCOBALAMIN: COENZYME M METHYLTRANSFERASE, ZINC ION | | Authors: | Hoeppner, A, Thomas, F, Rueppel, A, Hensel, R, Blankenfeld, W, Bayer, P, Faust, A. | | Deposit date: | 2012-06-18 | | Release date: | 2012-10-31 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structure of the Corrinoid:Coenzyme M Methyltransferase Mtaa from Methanosarcina Mazei
Acta Crystallogr.,Sect.D, 68, 2012
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9ASW
 | | Crystal structure of SARS-CoV-2 3CL protease in complex with a m-fluorobenzyl 2-pyrrolidone inhibitor | | Descriptor: | (1R,2S)-2-({N-[({(2S)-1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-2-yl}methoxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, (1S,2S)-2-({N-[({(2S)-1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-2-yl}methoxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase nsp5, ... | | Authors: | Lovell, S, Cooper, A, Battaile, K.P, Dampalla, C.S, Groutas, W.C. | | Deposit date: | 2024-02-26 | | Release date: | 2024-07-10 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Structure-Guided Design of Potent Coronavirus Inhibitors with a 2-Pyrrolidone Scaffold: Biochemical, Crystallographic, and Virological Studies.
J.Med.Chem., 2024
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9ASZ
 | | Crystal structure of SARS-CoV-2 3CL protease in complex with a phenylethyl 2-pyrrolidone inhibitor | | Descriptor: | (1S,2S)-1-hydroxy-2-{[N-({[(2S)-5-oxo-1-(2-phenylethyl)pyrrolidin-2-yl]methoxy}carbonyl)-L-leucyl]amino}-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase nsp5 | | Authors: | Lovell, S, Cooper, A, Battaile, K.P, Dampalla, C.S, Groutas, W.C. | | Deposit date: | 2024-02-26 | | Release date: | 2024-07-10 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Structure-Guided Design of Potent Coronavirus Inhibitors with a 2-Pyrrolidone Scaffold: Biochemical, Crystallographic, and Virological Studies.
J.Med.Chem., 2024
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9AT0
 | | Crystal structure of SARS-CoV-2 3CL protease in complex with a methylcyclohexyl 2-pyrrolidone inhibitor (S-enantiomer) | | Descriptor: | (1R,2S)-2-{[N-({[(2S)-1-(cyclohexylmethyl)-5-oxopyrrolidin-2-yl]methoxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, (1S,2S)-2-{[N-({[(2S)-1-(cyclohexylmethyl)-5-oxopyrrolidin-2-yl]methoxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase nsp5, ... | | Authors: | Lovell, S, Cooper, A, Battaile, K.P, Dampalla, C.S, Groutas, W.C. | | Deposit date: | 2024-02-26 | | Release date: | 2024-07-10 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Structure-Guided Design of Potent Coronavirus Inhibitors with a 2-Pyrrolidone Scaffold: Biochemical, Crystallographic, and Virological Studies.
J.Med.Chem., 2024
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9AT3
 | | Crystal structure of SARS-CoV-2 3CL protease in complex with an ethylcyclohexyl 2-pyrrolidone inhibitor | | Descriptor: | (1R,2S)-2-{[N-({[(2S)-1-(2-cyclohexylethyl)-5-oxopyrrolidin-2-yl]methoxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, (1S,2S)-2-{[N-({[(2S)-1-(2-cyclohexylethyl)-5-oxopyrrolidin-2-yl]methoxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase nsp5, ... | | Authors: | Lovell, S, Cooper, A, Battaile, K.P, Dampalla, C.S, Groutas, W.C. | | Deposit date: | 2024-02-26 | | Release date: | 2024-07-10 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structure-Guided Design of Potent Coronavirus Inhibitors with a 2-Pyrrolidone Scaffold: Biochemical, Crystallographic, and Virological Studies.
J.Med.Chem., 2024
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9AT4
 | | Crystal structure of SARS-CoV-2 3CL protease in complex with a methylbicyclo[2.2.1]heptane 2-pyrrolidone inhibitor | | Descriptor: | (1R,2S)-2-{[N-({[(2S)-1-{[(1S,2S,4R)-bicyclo[2.2.1]heptan-2-yl]methyl}-5-oxopyrrolidin-2-yl]methoxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, (1S,2S)-2-{[N-({[(2S)-1-{[(1S,2S,4R)-bicyclo[2.2.1]heptan-2-yl]methyl}-5-oxopyrrolidin-2-yl]methoxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase nsp5, ... | | Authors: | Lovell, S, Cooper, A, Battaile, K.P, Dampalla, C.S, Groutas, W.C. | | Deposit date: | 2024-02-26 | | Release date: | 2024-07-10 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Structure-Guided Design of Potent Coronavirus Inhibitors with a 2-Pyrrolidone Scaffold: Biochemical, Crystallographic, and Virological Studies.
J.Med.Chem., 2024
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1X0C
 | | Improved Crystal Structure of Isopullulanase from Aspergillus niger ATCC 9642 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Isopullulanase | | Authors: | Mizuno, M, Tonozuka, T, Yamamura, A, Miyasaka, Y, Akeboshi, H, Kamitori, S, Nishikawa, A, Sakano, Y. | | Deposit date: | 2005-03-17 | | Release date: | 2006-06-13 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Crystal Structure of Aspergillus niger Isopullulanase, a Member of Glycoside Hydrolase Family 49
J.Mol.Biol., 376, 2008
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9AT5
 | | Crystal structure of SARS-CoV-2 3CL protease in complex with a 1-methyl-4,4-difluorocyclohexyl 2-pyrrolidone inhibitor | | Descriptor: | (1R,2S)-2-({N-[({(2S)-1-[(4,4-difluorocyclohexyl)methyl]-5-oxopyrrolidin-2-yl}methoxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, (1S,2S)-2-({N-[({(2S)-1-[(4,4-difluorocyclohexyl)methyl]-5-oxopyrrolidin-2-yl}methoxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase nsp5, ... | | Authors: | Lovell, S, Cooper, A, Battaile, K.P, Dampalla, C.S, Groutas, W.C. | | Deposit date: | 2024-02-26 | | Release date: | 2024-07-10 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Structure-Guided Design of Potent Coronavirus Inhibitors with a 2-Pyrrolidone Scaffold: Biochemical, Crystallographic, and Virological Studies.
J.Med.Chem., 2024
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9AT6
 | | Crystal structure of SARS-CoV-2 3CL protease in complex with a methylbicyclo[2.2.1]heptene 2-pyrrolidone inhibitor | | Descriptor: | (1R,2S)-2-{[N-({[(2S)-1-{[(1R,2S,4R)-bicyclo[2.2.1]hept-5-en-2-yl]methyl}-5-oxopyrrolidin-2-yl]methoxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, (1S,2S)-2-{[N-({[(2S)-1-{[(1R,2S,4R)-bicyclo[2.2.1]hept-5-en-2-yl]methyl}-5-oxopyrrolidin-2-yl]methoxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase nsp5, ... | | Authors: | Lovell, S, Cooper, A, Battaile, K.P, Dampalla, C.S, Groutas, W.C. | | Deposit date: | 2024-02-26 | | Release date: | 2024-07-10 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Structure-Guided Design of Potent Coronavirus Inhibitors with a 2-Pyrrolidone Scaffold: Biochemical, Crystallographic, and Virological Studies.
J.Med.Chem., 2024
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9AT7
 | | Crystal structure of SARS-CoV-2 3CL protease in complex with a 2,2-difluoro-5-methylbenzo[1,3]dioxole 2-pyrrolidone inhibitor | | Descriptor: | (1R,2S)-2-({N-[({(2S)-1-[(2,2-difluoro-2H-1,3-benzodioxol-5-yl)methyl]-5-oxopyrrolidin-2-yl}methoxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, (1S,2S)-2-({N-[({(2S)-1-[(2,2-difluoro-2H-1,3-benzodioxol-5-yl)methyl]-5-oxopyrrolidin-2-yl}methoxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase nsp5, ... | | Authors: | Lovell, S, Cooper, A, Battaile, K.P, Dampalla, C.S, Groutas, W.C. | | Deposit date: | 2024-02-26 | | Release date: | 2024-07-10 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structure-Guided Design of Potent Coronavirus Inhibitors with a 2-Pyrrolidone Scaffold: Biochemical, Crystallographic, and Virological Studies.
J.Med.Chem., 2024
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3IP6
 | | Structure of Atu2422-GABA receptor in complex with proline | | Descriptor: | ABC transporter, substrate binding protein (Amino acid), PROLINE, ... | | Authors: | Morera, S, Planamente, S, Vigouroux, A. | | Deposit date: | 2009-08-17 | | Release date: | 2010-07-14 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | A conserved mechanism of GABA binding and antagonism is revealed by structure-function analysis of the periplasmic binding protein Atu2422 in Agrobacterium tumefaciens.
J.Biol.Chem., 285, 2010
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9FWG
 | | LSD1/CoREST bound to bomedemstat | | Descriptor: | Bomedemstat FAD adduct, Lysine-specific histone demethylase 1A, REST corepressor 1 | | Authors: | Speranzini, V, Mattevi, A. | | Deposit date: | 2024-06-30 | | Release date: | 2024-07-10 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Characterization of structural, biochemical, pharmacokinetic, and pharmacodynamic properties of the LSD1 inhibitor bomedemstat in preclinical models.
Prostate, 84, 2024
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3IPC
 | | Structure of ATU2422-GABA F77A mutant receptor in complex with leucine | | Descriptor: | ABC transporter, substrate binding protein (Amino acid), LEUCINE, ... | | Authors: | Morera, S, Planamente, S, Vigouroux, A. | | Deposit date: | 2009-08-17 | | Release date: | 2010-07-14 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | A conserved mechanism of GABA binding and antagonism is revealed by structure-function analysis of the periplasmic binding protein Atu2422 in Agrobacterium tumefaciens.
J.Biol.Chem., 285, 2010
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3QVO
 | | Structure of a Rossmann-fold NAD(P)-binding family protein from Shigella flexneri. | | Descriptor: | 5-MERCAPTO-2-NITRO-BENZOIC ACID, NmrA family protein | | Authors: | Cuff, M.E, Xu, X, Cui, H, Edwards, A, Savchenko, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2011-02-25 | | Release date: | 2011-06-01 | | Last modified: | 2018-10-03 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structure of a Rossmann-fold NAD(P)-binding family protein from Shigella flexneri.
TO BE PUBLISHED
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5IHD
 | | Calcium(II) and copper(II) bound to the Z-DNA form of d(CGCGCG), complexed by L-lactate and succinate | | Descriptor: | (2S)-2-HYDROXYPROPANOIC ACID, CALCIUM ION, COPPER (II) ION, ... | | Authors: | Rohner, M, Medina-Molner, A, Spingler, B. | | Deposit date: | 2016-02-29 | | Release date: | 2016-06-29 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.57 Å) | | Cite: | N,N,O and N,O,N Meridional cis Coordination of Two Guanines to Copper(II) by d(CGCGCG)2.
Inorg.Chem., 55, 2016
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7PL1
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1U0K
 | | The structure of a Predicted Epimerase PA4716 from Pseudomonas aeruginosa | | Descriptor: | gene product PA4716 | | Authors: | Cuff, M.E, Ginell, S.L, Rotella, F.J, Xu, X, Savchenko, A, Edwards, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2004-07-13 | | Release date: | 2004-09-14 | | Last modified: | 2019-08-14 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | The structure of hypothetical protein PA4716 from Pseudomonas aeruginosa
TO BE PUBLISHED
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4LAV
 | | Crystal Structure Analysis of FKBP52, Crystal Form II | | Descriptor: | Peptidyl-prolyl cis-trans isomerase FKBP4, SULFATE ION | | Authors: | Bracher, A, Kozany, C, Haehle, A, Wild, P, Zacharias, M, Hausch, F. | | Deposit date: | 2013-06-20 | | Release date: | 2013-08-21 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal Structures of the Free and Ligand-Bound FK1-FK2 Domain Segment of FKBP52 Reveal a Flexible Inter-Domain Hinge.
J.Mol.Biol., 425, 2013
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7PKO
 | | CryoEM structure of Rotavirus NSP2 | | Descriptor: | Non-structural protein 2 | | Authors: | Bravo, J.P.K, Borodavka, A. | | Deposit date: | 2021-08-26 | | Release date: | 2021-09-29 | | Last modified: | 2021-10-20 | | Method: | ELECTRON MICROSCOPY (3.9 Å) | | Cite: | Structural basis of rotavirus RNA chaperone displacement and RNA annealing.
Proc.Natl.Acad.Sci.USA, 118, 2021
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7PKP
 | | NSP2 RNP complex | | Descriptor: | Non-structural protein 2 | | Authors: | Bravo, J.P.K, Borodavka, A. | | Deposit date: | 2021-08-26 | | Release date: | 2021-09-29 | | Last modified: | 2021-10-20 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Structural basis of rotavirus RNA chaperone displacement and RNA annealing.
Proc.Natl.Acad.Sci.USA, 118, 2021
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3O12
 | | The crystal structure of a functionally unknown protein from Saccharomyces cerevisiae. | | Descriptor: | 1,2-ETHANEDIOL, SULFATE ION, Uncharacterized protein YJL217W | | Authors: | Zhang, R, Tan, K, Xu, X, Cui, H, Chin, S, Savchenko, A, Edwards, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2010-07-20 | | Release date: | 2010-09-15 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | The crystal structure of a functionally unknown protein from Saccharomyces cerevisiae.
TO BE PUBLISHED
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7PJB
 | | Crystal structure of YTHDC1 with compound PSI_DC1_004 | | Descriptor: | (R)-homoproline, GLYCEROL, SULFATE ION, ... | | Authors: | Bedi, R.K, Huang, D, Caflisch, A. | | Deposit date: | 2021-08-23 | | Release date: | 2021-10-20 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structure-based design of ligands of the m6A-RNA reader YTHDC1
Eur J Med Chem Rep, 5, 2022
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3O2I
 | | The crystal structure of a functionally unknown protein from Leptospirillum sp. Group II UBA | | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, DI(HYDROXYETHYL)ETHER, Uncharacterized protein | | Authors: | Zhang, R, Tan, K, Xu, X, Cui, H, Ng, J, Savchenko, A, Edwards, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2010-07-22 | | Release date: | 2010-09-22 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.197 Å) | | Cite: | The crystal structure of a functionally unknown protein from Leptospirillum sp. Group II UBA
TO BE PUBLISHED
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7PJ8
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4DII
 | | X-ray structure of the complex between human alpha thrombin and thrombin binding aptamer in the presence of potassium ions | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide, ... | | Authors: | Russo Krauss, I, Merlino, A, Mazzarella, L, Sica, F. | | Deposit date: | 2012-01-31 | | Release date: | 2012-07-18 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | High-resolution structures of two complexes between thrombin and thrombin-binding aptamer shed light on the role of cations in the aptamer inhibitory activity.
Nucleic Acids Res., 40, 2012
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