7O2L
 
 | | Yeast 20S proteasome in complex with the covalently bound inhibitor b-lactone (2R,3S)-3-isopropyl-4-oxo-2-oxetane-carboxylate (IOC) | | Descriptor: | (2 {R},3 {S})-3-methanoyl-4-methyl-2-hydroxy-pentanoic acid, 20S proteasome, BJ4_G0020160.mRNA.1.CDS.1, ... | | Authors: | Shi, Y.M, Hirschmann, M, Shi, Y.N, Shabbir, A, Abebew, D, Tobias, N.J, Gruen, P, Crames, J.J, Poeschel, L, Kuttenlochner, W, Richter, C, Herrmann, J, Mueller, R, Thanwisai, A, Pidot, S.J, Stinear, T.P, Groll, M, Kim, Y, Bode, H. | | Deposit date: | 2021-03-30 | | Release date: | 2022-04-13 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Global analysis of biosynthetic gene clusters reveals conserved and unique natural products in entomopathogenic nematode-symbiotic bacteria.
Nat.Chem., 14, 2022
|
|
4DCD
 | | 1.6A resolution structure of PolioVirus 3C Protease Containing a covalently bound dipeptidyl inhibitor | | Descriptor: | (1S,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, Genome polyprotein, ... | | Authors: | Lovell, S, Battaile, K.P, Kim, Y, Tiew, K.-C, Mandadapu, S.R, Alliston, K.R, Groutas, W.C, Chang, K.O. | | Deposit date: | 2012-01-17 | | Release date: | 2012-09-05 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.69 Å) | | Cite: | Broad-Spectrum Antivirals against 3C or 3C-Like Proteases of Picornaviruses, Noroviruses, and Coronaviruses.
J.Virol., 86, 2012
|
|
5WEJ
 | | 1.95 A resolution structure of Norovirus 3CL protease in complex with a dipeptidyl oxazolidinone-based inhibitor | | Descriptor: | (2S)-2-{(5S)-5-[(3-chlorophenyl)methyl]-2-oxo-1,3-oxazolidin-3-yl}-4-methyl-N-{(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}pentanamide, Genome polyprotein | | Authors: | Lovell, S, Battaile, K.P, Mehzabeen, N, Damalanka, V.C, Kim, Y, Kankanamalage, A.C.G, Rathnayake, A.D, Nguyen, H.N, Chang, K.O, Groutas, W.C. | | Deposit date: | 2017-07-10 | | Release date: | 2017-12-13 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Structure-guided design, synthesis and evaluation of oxazolidinone-based inhibitors of norovirus 3CL protease.
Eur J Med Chem, 143, 2017
|
|
5WKL
 | | 1.85 A resolution structure of MERS 3CL protease in complex with piperidine-based peptidomimetic inhibitor 17 | | Descriptor: | (1R,2S)-2-{[N-({[4-benzyl-1-(tert-butoxycarbonyl)piperidin-4-yl]oxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, (1S,2S)-2-{[N-({[4-benzyl-1-(tert-butoxycarbonyl)piperidin-4-yl]oxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, Orf1a protein | | Authors: | Lovell, S, Battaile, K.P, Mehzabeen, N, Kankanamalage, A.C.G, Kim, Y, Rathnayake, A.D, Chang, K.O, Groutas, W.C. | | Deposit date: | 2017-07-25 | | Release date: | 2018-04-04 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Structure-guided design of potent and permeable inhibitors of MERS coronavirus 3CL protease that utilize a piperidine moiety as a novel design element.
Eur J Med Chem, 150, 2018
|
|
4M4X
 | |
9BZQ
 | | Structure of Class A Beta-lactamase from Bordetella bronchiseptica RB50 in a complex with Avibactam | | Descriptor: | (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, 1,2-ETHANEDIOL, FORMIC ACID, ... | | Authors: | Maltseva, N, Kim, Y, Endres, M, Joachimiak, A, Center for Structural Biology of Infectious Diseases (CSBID) | | Deposit date: | 2024-05-24 | | Release date: | 2024-06-12 | | Method: | X-RAY DIFFRACTION (1.47 Å) | | Cite: | Structure of Class A Beta-lactamase from Bordetella bronchiseptica RB50 in a complex with Avibactam
To Be Published
|
|
9BZN
 | | High resolution structure of class A Beta-lactamase from Bordetella bronchiseptica RB50 | | Descriptor: | FORMIC ACID, SULFATE ION, class A Beta-lactamase, ... | | Authors: | Maltseva, N, Kim, Y, Endres, M, Joachimiak, A, Center for Structural Biology of Infectious Diseases (CSBID) | | Deposit date: | 2024-05-24 | | Release date: | 2024-06-12 | | Method: | X-RAY DIFFRACTION (1.05 Å) | | Cite: | High resolution structure of class A Beta-lactamase from Bordetella bronchiseptica RB50
To Be Published
|
|
9BZR
 | | Structure of Class A Beta-lactamase from Bordetella bronchiseptica RB50 in a complex with clavulonate | | Descriptor: | CHLORIDE ION, MALONIC ACID, N-(2-HYDROXY-4-OXO-BUTYL)-N-(3-OXO-TRANSPROPENYL)AMINE, ... | | Authors: | Maltseva, N, Kim, Y, Endres, M, Joachimiak, A, Center for Structural Biology of Infectious Diseases (CSBID) | | Deposit date: | 2024-05-24 | | Release date: | 2024-06-12 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Structure of Class A Beta-lactamase from Bordetella bronchiseptica RB50 in a complex with clavulonate
To Be Published
|
|
6D32
 | | Crystal structure of Xenopus Smoothened in complex with cyclopamine | | Descriptor: | Cyclopamine, Smoothened,Soluble cytochrome b562,Smoothened | | Authors: | Huang, P, Zheng, S, Kim, Y, Kruse, A.C, Salic, A. | | Deposit date: | 2018-04-14 | | Release date: | 2018-05-23 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (3.751 Å) | | Cite: | Structural Basis of Smoothened Activation in Hedgehog Signaling.
Cell, 174, 2018
|
|
1K3R
 | | Crystal Structure of the Methyltransferase with a Knot from Methanobacterium thermoautotrophicum | | Descriptor: | conserved protein MT0001 | | Authors: | Zarembinski, T.I, Kim, Y, Peterson, K, Christendat, D, Dharamsi, A, Arrowsmith, C.H, Edwards, A.M, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2001-10-03 | | Release date: | 2002-05-15 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Deep trefoil knot implicated in RNA binding found in an archaebacterial protein.
Proteins, 50, 2003
|
|
6CSN
 | | Crystal structure of the designed light-gated anion channel iC++ at pH8.5 | | Descriptor: | CHLORIDE ION, OLEIC ACID, RETINAL, ... | | Authors: | Kato, H.E, Kim, Y, Yamashita, K, Kobilka, B.K, Deisseroth, K. | | Deposit date: | 2018-03-21 | | Release date: | 2018-09-05 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Structural mechanisms of selectivity and gating in anion channelrhodopsins.
Nature, 561, 2018
|
|
6CSO
 | | Crystal structure of the designed light-gated anion channel iC++ at pH6.5 | | Descriptor: | OLEIC ACID, RETINAL, iC++ | | Authors: | Kato, H.E, Kim, Y, Yamashita, K, Kobilka, B.K, Deisseroth, K. | | Deposit date: | 2018-03-21 | | Release date: | 2018-09-05 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Structural mechanisms of selectivity and gating in anion channelrhodopsins.
Nature, 561, 2018
|
|
3N8H
 | | Crystal Structure of Pantoate-beta-alanine Ligase from Francisella tularensis | | Descriptor: | ACETIC ACID, ADENOSINE MONOPHOSPHATE, GLYCEROL, ... | | Authors: | Maltseva, N, Kim, Y, Papazisi, L, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2010-05-28 | | Release date: | 2010-06-16 | | Last modified: | 2017-11-08 | | Method: | X-RAY DIFFRACTION (2.001 Å) | | Cite: | Crystal Structure of Pantoate-beta-alanine Ligase from Francisella tularensis
To be Published, 2010
|
|
3O6V
 | | Crystal structure of Uridine Phosphorylase from Vibrio cholerae O1 biovar El Tor | | Descriptor: | FORMIC ACID, GLYCEROL, Uridine phosphorylase | | Authors: | Maltseva, N, Kim, Y, Hasseman, J, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2010-07-29 | | Release date: | 2010-10-13 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.695 Å) | | Cite: | Crystal structure of Uridine Phosphorylase from Vibrio cholerae O1 biovar El Tor
To be Published
|
|
6J10
 | | Ciclopirox inhibits Hepatitis B Virus secretion by blocking capsid assembly | | Descriptor: | 6-cyclohexyl-4-methyl-1-oxidanyl-pyridin-2-one, Capsid protein | | Authors: | Park, S, Jin, M.S, Cho, Y, Kang, J, Kim, S, Park, M, Park, H, Kim, J, Park, S, Hwang, J, Kim, Y, Kim, Y.J. | | Deposit date: | 2018-12-27 | | Release date: | 2019-04-17 | | Last modified: | 2019-05-29 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Ciclopirox inhibits Hepatitis B Virus secretion by blocking capsid assembly.
Nat Commun, 10, 2019
|
|
7T49
 | | Structure of SARS-CoV-2 3CL protease in complex with inhibitor 10c | | Descriptor: | (1R,2S)-1-hydroxy-2-{[N-({[7-(methanesulfonyl)-7-azaspiro[3.5]nonan-2-yl]oxy}carbonyl)-L-leucyl]amino}-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, (1S,2S)-1-hydroxy-2-{[N-({[7-(methanesulfonyl)-7-azaspiro[3.5]nonan-2-yl]oxy}carbonyl)-L-leucyl]amino}-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase | | Authors: | Lovell, S, Liu, L, Battaile, K.P, Chamandi, S.D, Kim, Y, Groutas, W.C, Chang, K.O. | | Deposit date: | 2021-12-09 | | Release date: | 2021-12-22 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Structure-Guided Design of Potent Spirocyclic Inhibitors of Severe Acute Respiratory Syndrome Coronavirus-2 3C-like Protease.
J.Med.Chem., 65, 2022
|
|
7T40
 | | Structure of MERS 3CL protease in complex with inhibitor 10c | | Descriptor: | (1R,2S)-1-hydroxy-2-{[N-({[7-(methanesulfonyl)-7-azaspiro[3.5]nonan-2-yl]oxy}carbonyl)-L-leucyl]amino}-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, (1S,2S)-1-hydroxy-2-{[N-({[7-(methanesulfonyl)-7-azaspiro[3.5]nonan-2-yl]oxy}carbonyl)-L-leucyl]amino}-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase, ... | | Authors: | Lovell, S, Liu, L, Battaile, K.P, Chamandi, S.D, Kim, Y, Groutas, W.C, Chang, K.O. | | Deposit date: | 2021-12-09 | | Release date: | 2021-12-22 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structure-Guided Design of Potent Spirocyclic Inhibitors of Severe Acute Respiratory Syndrome Coronavirus-2 3C-like Protease.
J.Med.Chem., 65, 2022
|
|
7T4B
 | | Structure of SARS-CoV-2 3CL protease in complex with inhibitor 14c | | Descriptor: | (1R,2S)-2-{[N-({[1-(tert-butoxycarbonyl)azetidin-3-yl]methoxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3R)-2-oxo-2,3-dihydro-1H-pyrrol-3-yl]propane-1-sulfonic acid, (1S,2S)-2-{[N-({[1-(tert-butoxycarbonyl)azetidin-3-yl]methoxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3R)-2-oxo-2,3-dihydro-1H-pyrrol-3-yl]propane-1-sulfonic acid, 3C-like proteinase, ... | | Authors: | Lovell, S, Kashipathy, M.M, Battaile, K.P, Chamandi, S.D, Kim, Y, Groutas, W.C, Chang, K.O. | | Deposit date: | 2021-12-09 | | Release date: | 2021-12-22 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structure-Guided Design of Potent Spirocyclic Inhibitors of Severe Acute Respiratory Syndrome Coronavirus-2 3C-like Protease.
J.Med.Chem., 65, 2022
|
|
7T42
 | | Structure of SARS-CoV-2 3CL protease in complex with inhibitor 2c | | Descriptor: | (1R,2S)-1-hydroxy-2-{[N-({[2-(2-methylpropanoyl)-2-azaspiro[3.3]heptan-6-yl]oxy}carbonyl)-L-leucyl]amino}-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, (1S,2S)-2-[(N-{[(2-acetyl-2-azaspiro[3.3]heptan-6-yl)oxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase, ... | | Authors: | Liu, L, Lovell, S, Battaile, K.P, Chamandi, S.D, Kim, Y, Groutas, W.C, Chang, K.O. | | Deposit date: | 2021-12-09 | | Release date: | 2021-12-22 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structure-Guided Design of Potent Spirocyclic Inhibitors of Severe Acute Respiratory Syndrome Coronavirus-2 3C-like Protease.
J.Med.Chem., 65, 2022
|
|
7T4A
 | | Structure of SARS-CoV-2 3CL protease in complex with inhibitor 11c | | Descriptor: | (1R,2S)-2-[(N-{[(7-cyano-7-azaspiro[3.5]nonan-2-yl)oxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, (1S,2S)-2-[(N-{[(7-cyano-7-azaspiro[3.5]nonan-2-yl)oxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase, ... | | Authors: | Lovell, S, Liu, L, Battaile, K.P, Chamandi, S.D, Kim, Y, Groutas, W.C, Chang, K.O. | | Deposit date: | 2021-12-09 | | Release date: | 2021-12-22 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structure-Guided Design of Potent Spirocyclic Inhibitors of Severe Acute Respiratory Syndrome Coronavirus-2 3C-like Protease.
J.Med.Chem., 65, 2022
|
|
7T3Z
 | | Structure of MERS 3CL protease in complex with inhibitor 9c | | Descriptor: | (1R,2S)-2-{[N-({[(2r,4R)-7-acetyl-7-azaspiro[3.5]non-5-en-2-yl]oxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, (1S,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-2-{[N-({[7-(phenylacetyl)-7-azaspiro[3.5]nonan-2-yl]oxy}carbonyl)-L-leucyl]amino}propane-1-sulfonic acid, 3C-like proteinase | | Authors: | Lovell, S, Liu, L, Battaile, K.P, Chamandi, S.D, Kim, Y, Groutas, W.C, Chang, K.O. | | Deposit date: | 2021-12-09 | | Release date: | 2021-12-22 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Structure-Guided Design of Potent Spirocyclic Inhibitors of Severe Acute Respiratory Syndrome Coronavirus-2 3C-like Protease.
J.Med.Chem., 65, 2022
|
|
7T45
 | | Structure of SARS-CoV-2 3CL protease in complex with inhibitor 7c | | Descriptor: | (1S,2S)-2-{[N-({[7-(tert-butoxycarbonyl)-7-azaspiro[3.5]nonan-2-yl]oxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase, TETRAETHYLENE GLYCOL | | Authors: | Lovell, S, Kashipathy, M.M, Battaile, K.P, Kankanamalage, A.C.G, Kim, Y, Groutas, W.C, Chang, K.O. | | Deposit date: | 2021-12-09 | | Release date: | 2021-12-22 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Structure-Guided Design of Potent Spirocyclic Inhibitors of Severe Acute Respiratory Syndrome Coronavirus-2 3C-like Protease.
J.Med.Chem., 65, 2022
|
|
7T48
 | | Structure of SARS-CoV-2 3CL protease in complex with inhibitor 9c | | Descriptor: | (1R,2S)-2-{[N-({[(2r,4R)-7-acetyl-7-azaspiro[3.5]non-5-en-2-yl]oxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, (1S,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-2-{[N-({[7-(phenylacetyl)-7-azaspiro[3.5]nonan-2-yl]oxy}carbonyl)-L-leucyl]amino}propane-1-sulfonic acid, 3C-like proteinase, ... | | Authors: | Lovell, S, Liu, L, Battaile, K.P, Chamandi, S.D, Kim, Y, Groutas, W.C, Chang, K.O. | | Deposit date: | 2021-12-09 | | Release date: | 2021-12-22 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structure-Guided Design of Potent Spirocyclic Inhibitors of Severe Acute Respiratory Syndrome Coronavirus-2 3C-like Protease.
J.Med.Chem., 65, 2022
|
|
7T3Y
 | | Structure of MERS 3CL protease in complex with inhibitor 8c | | Descriptor: | (1R,2S)-1-hydroxy-2-{[N-({[7-(2-methylpropanoyl)-7-azaspiro[3.5]nonan-2-yl]oxy}carbonyl)-L-leucyl]amino}-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, (1S,2S)-1-hydroxy-2-{[N-({[7-(2-methylpropanoyl)-7-azaspiro[3.5]nonan-2-yl]oxy}carbonyl)-L-leucyl]amino}-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase | | Authors: | Lovell, S, Liu, L, Battaile, K.P, Chamandi, S.D, Kim, Y, Groutas, W.C, Chang, K.O. | | Deposit date: | 2021-12-09 | | Release date: | 2021-12-22 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structure-Guided Design of Potent Spirocyclic Inhibitors of Severe Acute Respiratory Syndrome Coronavirus-2 3C-like Protease.
J.Med.Chem., 65, 2022
|
|
7T46
 | | Structure of SARS-CoV-2 3CL protease in complex with inhibitor 8c | | Descriptor: | (1R,2S)-1-hydroxy-2-{[N-({[7-(2-methylpropanoyl)-7-azaspiro[3.5]nonan-2-yl]oxy}carbonyl)-L-leucyl]amino}-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, (1S,2S)-1-hydroxy-2-{[N-({[7-(2-methylpropanoyl)-7-azaspiro[3.5]nonan-2-yl]oxy}carbonyl)-L-leucyl]amino}-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase | | Authors: | Lovell, S, Liu, L, Battaile, K.P, Chamandi, S.D, Kim, Y, Groutas, W.C, Chang, K.O. | | Deposit date: | 2021-12-09 | | Release date: | 2021-12-22 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Structure-Guided Design of Potent Spirocyclic Inhibitors of Severe Acute Respiratory Syndrome Coronavirus-2 3C-like Protease.
J.Med.Chem., 65, 2022
|
|
