6WIQ
| Crystal structure of the co-factor complex of NSP7 and the C-terminal domain of NSP8 from SARS CoV-2 | Descriptor: | Non-structural protein 7, Non-structural protein 8 | Authors: | Wilamowski, M, Kim, Y, Jedrzejczak, R, Maltseva, N, Endres, M, Godzik, A, Michalska, K, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2020-04-10 | Release date: | 2020-04-22 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Transient and stabilized complexes of Nsp7, Nsp8, and Nsp12 in SARS-CoV-2 replication. Biophys.J., 120, 2021
|
|
1GWI
| The 1.92 A structure of Streptomyces coelicolor A3(2) CYP154C1: A new monooxygenase that functionalizes macrolide ring systems | Descriptor: | CYTOCHROME P450 154C1, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION | Authors: | Podust, L.M, Kim, Y, Arase, M, Neely, B.A, Beck, B.J, Bach, H, Sherman, D.H, Lamb, D.C, Kelly, S.L, Waterman, M.R. | Deposit date: | 2002-03-15 | Release date: | 2003-01-29 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | The 1.92 A Structure of Streptomyces Coelicolor A3(2) Cyp154C1: A New Monooxygenase that Functionalizes Macrolide Ring Systems J.Biol.Chem., 278, 2003
|
|
6VJC
| LmFPPS mutant T164Y in complex with 476A, IPP & Ca | Descriptor: | 3-butyl-1-(2,2-diphosphonoethyl)pyridinium, ACETATE ION, CALCIUM ION, ... | Authors: | Maheshwari, S, Kim, Y.S, Aripirala, S, Gabelli, S.B. | Deposit date: | 2020-01-15 | Release date: | 2020-11-25 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Identifying Structural Determinants of Product Specificity in Leishmania major Farnesyl Diphosphate Synthase. Biochemistry, 59, 2020
|
|
6W7I
| LmFPPS mutant T164W in complex with 476A, IPP & Ca | Descriptor: | 3-butyl-1-(2,2-diphosphonoethyl)pyridinium, ACETATE ION, CALCIUM ION, ... | Authors: | Maheshwari, S, Kim, Y.S, Aripirala, S, Gabelli, S.B. | Deposit date: | 2020-03-19 | Release date: | 2020-10-07 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Identifying Structural Determinants of Product Specificity in Leishmania major Farnesyl Diphosphate Synthase. Biochemistry, 59, 2020
|
|
6WW1
| Crystal structure of the LmFPPS mutant E97Y | Descriptor: | 3-butyl-1-(2,2-diphosphonoethyl)pyridinium, ACETATE ION, CALCIUM ION, ... | Authors: | Maheshwari, S, Kim, Y.S, Gabelli, S.B. | Deposit date: | 2020-05-07 | Release date: | 2020-10-07 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Identifying Structural Determinants of Product Specificity in Leishmania major Farnesyl Diphosphate Synthase. Biochemistry, 59, 2020
|
|
6V72
| Crystal Structure of Metallo Beta Lactamase from Erythrobacter litoralis | Descriptor: | 1,2-ETHANEDIOL, Beta-lactamase II, CALCIUM ION, ... | Authors: | Maltseva, N, Kim, Y, Clancy, S, Endres, M, Mulligan, R, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2019-12-06 | Release date: | 2019-12-25 | Last modified: | 2020-01-01 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Crystal Structure of Metallo Beta Lactamase from Erythrobacter litoralis To Be Published
|
|
6VGY
| 2.05 A resolution structure of MERS 3CL protease in complex with inhibitor 6b | Descriptor: | N~2~-{[(trans-4-ethylcyclohexyl)oxy]carbonyl}-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide, Orf1a protein | Authors: | Lovell, S, Battaile, K.P, Kashipathy, M.M, Rathnayake, A.D, Zheng, J, Kim, Y, Nguyen, H.N, Chang, K.O, Groutas, W.C. | Deposit date: | 2020-01-09 | Release date: | 2020-08-12 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | 3C-like protease inhibitors block coronavirus replication in vitro and improve survival in MERS-CoV-infected mice. Sci Transl Med, 12, 2020
|
|
4XBC
| 1.60 A resolution structure of Norovirus 3CL protease complex with a covalently bound dipeptidyl inhibitor (1R,2S)-2-({N-[(benzyloxy)carbonyl]-3-cyclohexyl-L-alanyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid (Hexagonal Form) | Descriptor: | (1R,2S)-2-({N-[(benzyloxy)carbonyl]-3-cyclohexyl-L-alanyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-LIKE PROTEASE, TETRAETHYLENE GLYCOL | Authors: | Lovell, S, Battaile, K.P, Mehzabeen, N, Kankanamalage, A.C.G, Kim, Y, Weerawarna, P.M, Uy, R.A.Z, Damalanka, V.C, Mandadapu, S.R, Alliston, K.R, Groutas, W.C, Chang, K.-O. | Deposit date: | 2014-12-16 | Release date: | 2015-03-25 | Last modified: | 2017-11-22 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structure-Guided Design and Optimization of Dipeptidyl Inhibitors of Norovirus 3CL Protease. Structure-Activity Relationships and Biochemical, X-ray Crystallographic, Cell-Based, and In Vivo Studies. J.Med.Chem., 58, 2015
|
|
6V70
| Crystal Structure of Metallo Beta Lactamase from Hirschia baltica with Cadmium in the Active Site | Descriptor: | 1,2-ETHANEDIOL, Beta-lactamase, CADMIUM ION, ... | Authors: | Maltseva, N, Kim, Y, Clancy, S, Endres, M, Mulligan, R, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2019-12-06 | Release date: | 2019-12-25 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Crystal Structure of Metallo Beta Lactamase from Hirschia baltica. To Be Published
|
|
4XBB
| 1.85A resolution structure of Norovirus 3CL protease complex with a covalently bound dipeptidyl inhibitor diethyl [(1R,2S)-2-[(N-{[(3-chlorobenzyl)oxy]carbonyl}-3-cyclohexyl-L-alanyl)amino]-1-hydroxy-3-(2-oxo-2H-pyrrol-3-yl)propyl]phosphonate | Descriptor: | 3C-LIKE PROTEASE, SULFATE ION, diethyl [(1R,2S)-2-[(N-{[(3-chlorobenzyl)oxy]carbonyl}-3-cyclohexyl-L-alanyl)amino]-1-hydroxy-3-(2-oxo-2H-pyrrol-3-yl)propyl]phosphonate | Authors: | Lovell, S, Battaile, K.P, Mehzabeen, N, Kankanamalage, A.C.G, Kim, Y, Weerawarna, P.M, Uy, R.A.Z, Damalanka, V.C, Mandadapu, S.R, Alliston, K.R, Groutas, W.C, Chang, K.-O. | Deposit date: | 2014-12-16 | Release date: | 2015-03-25 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structure-Guided Design and Optimization of Dipeptidyl Inhibitors of Norovirus 3CL Protease. Structure-Activity Relationships and Biochemical, X-ray Crystallographic, Cell-Based, and In Vivo Studies. J.Med.Chem., 58, 2015
|
|
6V54
| Crystal Structure of Metallo Beta Lactamase from Hirschia baltica | Descriptor: | 1,2-ETHANEDIOL, Beta-lactamase, CHLORIDE ION, ... | Authors: | Maltseva, N, Kim, Y, Clancy, S, Endres, M, Mulligan, R, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2019-12-03 | Release date: | 2019-12-25 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Crystal Structure of Metallo Beta Lactamase from Hirschia baltica. To Be Published
|
|
6VC6
| 2.1 Angstrom Resolution Crystal Structure of 6-phospho-alpha-glucosidase from Gut Microorganisms in Complex with NAD and Mn2+ | Descriptor: | 6-O-phosphono-alpha-D-glucopyranose, 6-phospho-alpha-glucosidase, GLYCEROL, ... | Authors: | Wu, R, Kim, Y, Endres, M, Joachimiak, J. | Deposit date: | 2019-12-20 | Release date: | 2020-12-23 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.133 Å) | Cite: | 2.1 Angstrom Resolution Crystal Structure of 6-phospho-alpha-glucosidase from Gut Microorganisms in Complex with NAD and Mn2+ To Be Published
|
|
6VH3
| 2.20 A resolution structure of MERS 3CL protease in complex with inhibitor 7j | Descriptor: | (1S,2S)-2-[(N-{[(4,4-difluorocyclohexyl)methoxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, Orf1a protein | Authors: | Lovell, S, Battaile, K.P, Kashipathy, M.M, Rathnayake, A.D, Zheng, J, Kim, Y, Nguyen, H.N, Chang, K.O, Groutas, W.C. | Deposit date: | 2020-01-09 | Release date: | 2020-08-12 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | 3C-like protease inhibitors block coronavirus replication in vitro and improve survival in MERS-CoV-infected mice. Sci Transl Med, 12, 2020
|
|
6V61
| Crystal Structure of Metallo Beta Lactamase from Hirschia baltica in the Complex with the Inhibitor Captopril | Descriptor: | 1,2-ETHANEDIOL, Beta-lactamase, CHLORIDE ION, ... | Authors: | Maltseva, N, Kim, Y, Clancy, S, Endres, M, Mulligan, R, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2019-12-04 | Release date: | 2019-12-25 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | Crystal Structure of Metallo Beta Lactamase from Hirschia baltica in the Complex with the Inhibitor Captopril. To Be Published
|
|
6VH2
| 2.26 A resolution structure of MERS 3CL protease in complex with inhibitor 7i | Descriptor: | 4,4-difluorocyclohexyl [(2S)-3-cyclohexyl-1-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-1-oxopropan-2-yl]carbamate, Orf1a protein | Authors: | Lovell, S, Battaile, K.P, Kashipathy, M.M, Rathnayake, A.D, Zheng, J, Kim, Y, Nguyen, H.N, Chang, K.O, Groutas, W.C. | Deposit date: | 2020-01-09 | Release date: | 2020-08-12 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.26 Å) | Cite: | 3C-like protease inhibitors block coronavirus replication in vitro and improve survival in MERS-CoV-infected mice. Sci Transl Med, 12, 2020
|
|
6V5M
| Crystal Structure of Metallo Beta Lactamase from Hirschia baltica in Complex with Succinate | Descriptor: | 1,2-ETHANEDIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Beta-lactamase, ... | Authors: | Maltseva, N, Kim, Y, Clancy, S, Endres, M, Mulligan, R, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2019-12-04 | Release date: | 2019-12-25 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Crystal Structure of Metallo Beta Lactamase from Hirschia baltica in Complex with Succinate. To Be Published
|
|
6V71
| Crystal Structure of Metallo Beta Lactamase from Hirschia baltica with Nitrate in the Active Site | Descriptor: | 1,2-ETHANEDIOL, Beta-lactamase, FORMIC ACID, ... | Authors: | Maltseva, N, Kim, Y, Clancy, S, Endres, M, Mulligan, R, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2019-12-06 | Release date: | 2019-12-25 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Crystal Structure of Metallo Beta Lactamase from Hirschia baltica with Nitrate in the Active Site To Be Published
|
|
6VH0
| 1.95 A resolution structure of MERS 3CL protease in complex with inhibitor 6g | Descriptor: | N~2~-{[(5-ethyl-1,3-dioxan-5-yl)oxy]carbonyl}-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide, Orf1a protein | Authors: | Lovell, S, Battaile, K.P, Kashipathy, M.M, Rathnayake, A.D, Zheng, J, Kim, Y, Nguyen, H.N, Chang, K.O, Groutas, W.C. | Deposit date: | 2020-01-09 | Release date: | 2020-08-12 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | 3C-like protease inhibitors block coronavirus replication in vitro and improve survival in MERS-CoV-infected mice. Sci Transl Med, 12, 2020
|
|
6VH1
| 2.30 A resolution structure of MERS 3CL protease in complex with inhibitor 6h | Descriptor: | N~2~-{[(4,4-difluorocyclohexyl)oxy]carbonyl}-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide, Orf1a protein | Authors: | Lovell, S, Battaile, K.P, Kashipathy, M.M, Rathnayake, A.D, Zheng, J, Kim, Y, Nguyen, H.N, Chang, K.O, Groutas, W.C. | Deposit date: | 2020-01-09 | Release date: | 2020-08-12 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | 3C-like protease inhibitors block coronavirus replication in vitro and improve survival in MERS-CoV-infected mice. Sci Transl Med, 12, 2020
|
|
6V73
| Crystal Structure of Metallo Beta Lactamase from Erythrobacter litoralis with beta mercaptoethanol in the active site | Descriptor: | BETA-MERCAPTOETHANOL, Beta-lactamase II, CHLORIDE ION, ... | Authors: | Maltseva, N, Kim, Y, Clancy, S, Endres, M, Mulligan, R, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2019-12-06 | Release date: | 2019-12-25 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal Structure of Metallo Beta Lactamase from Erythrobacter litoralis with beta mercaptoethanol in the active site To Be Published
|
|
6VC5
| |
6VGZ
| 2.25 A resolution structure of MERS 3CL protease in complex with inhibitor 6d | Descriptor: | N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-N~2~-({[trans-4-(propan-2-yl)cyclohexyl]oxy}carbonyl)-L-leucinamide, Orf1a protein | Authors: | Lovell, S, Battaile, K.P, Kashipathy, M.M, Rathnayake, A.D, Zheng, J, Kim, Y, Nguyen, H.N, Chang, K.O, Groutas, W.C. | Deposit date: | 2020-01-09 | Release date: | 2020-08-12 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | 3C-like protease inhibitors block coronavirus replication in vitro and improve survival in MERS-CoV-infected mice. Sci Transl Med, 12, 2020
|
|
6W5H
| 1.85 A resolution structure of Norovirus 3CL protease in complex with inhibitor 5d | Descriptor: | 2-(3-chlorophenyl)-2-methylpropyl [(2S)-3-cyclohexyl-1-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-1-oxopropan-2-yl]carbamate, 3C-LIKE PROTEASE | Authors: | Lovell, S, Kashipathy, M.M, Battaile, K.P, Rathnayake, A.D, Kim, Y, Chang, K.O, Groutas, W.C. | Deposit date: | 2020-03-13 | Release date: | 2020-09-30 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structure-Guided Optimization of Dipeptidyl Inhibitors of Norovirus 3CL Protease. J.Med.Chem., 63, 2020
|
|
6W6Y
| Crystal Structure of ADP ribose phosphatase of NSP3 from SARS CoV-2 in complex with AMP | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ADENOSINE MONOPHOSPHATE, Non-structural protein 3 | Authors: | Michalska, K, Kim, Y, Jedrzejczak, R, Maltseva, N, Endres, M, Mesecar, A, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2020-03-18 | Release date: | 2020-03-25 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.451 Å) | Cite: | Crystal structures of SARS-CoV-2 ADP-ribose phosphatase: from the apo form to ligand complexes. Iucrj, 7, 2020
|
|
6W2A
| 1.65 A resolution structure of SARS-CoV 3CL protease in complex with inhibitor 7j | Descriptor: | (1S,2S)-2-[(N-{[(4,4-difluorocyclohexyl)methoxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, Replicase polyprotein 1a, [4,4-bis(fluoranyl)cyclohexyl]methyl ~{N}-[(2~{S})-1-[[(1~{R},2~{S})-1-[bis(oxidanyl)-oxidanylidene-$l^{5}-sulfanyl]-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate | Authors: | Kashipathy, M.M, Lovell, S, Battaile, K.P, Rathnayake, A.D, Zheng, J, Kim, Y, Nguyen, H.N, Chang, K.O, Groutas, W.C. | Deposit date: | 2020-03-05 | Release date: | 2020-08-12 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | 3C-like protease inhibitors block coronavirus replication in vitro and improve survival in MERS-CoV-infected mice. Sci Transl Med, 12, 2020
|
|