X-ray Structures

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    Title: SARS

Page 1 of 2, showing 20 records  out of 39 total, starting on record 1 structures.
Click on the title of a structure below to see more information about that structure.

Target CPX_52010_52016

Title: Crystal Structure of SARS-CoV-2 Nsp16/10 Heterodimer in Complex with (m7GpppA)pUpUpApApA (Cap-0) and S-Adenosylmethionine (SAM).
Authors: Minasov, G., Shuvalova, L., Rosas-Lemus, M., Kiryukhina, O., Brunzelle, J.S., Satchell, K.J.F., Center for Structural Genomics of Infectious Diseases (CSGID)
PDB 7JYY (PDBSUM) (Profunc) (GPSS) (MMDB)
Complexed with: , , 7n-methyl-8-hydroguanosine-5'-diphosphate, s-adenosylmethionine, unknown, unknown
Other ligands: , ,
R: 16.7%
Rfree: 18.5%
Resolution: 2.05Å
Deposited: 2020-09-01
Released: 2020-09-16
Title: Crystal Structure of SARS-CoV-2 Nsp16/10 Heterodimer in Complex with (m7GpppA2m)pUpUpApApA (Cap-1) and S-Adenosyl-L-homocysteine (SAH).
Authors: Minasov, G., Shuvalova, L., Rosas-Lemus, M., Kiryukhina, O., Brunzelle, J.S., Satchell, K.J.F., Center for Structural Genomics of Infectious Diseases (CSGID)
PDB 7JZ0 (PDBSUM) (Profunc) (GPSS) (MMDB)
Complexed with: , , 2'-o-methyl-adenosine-5'-monophosphate, 7n-methyl-8-hydroguanosine-5'-diphosphate, unknown, unknown
Other ligands: , ,
R: 17.5%
Rfree: 19.8%
Resolution: 2.15Å
Deposited: 2020-09-01
Released: 2020-09-16

Target IDP52005

Title: The crystal structure of SARS-CoV-2 Main Protease in complex with masitinib
Authors: K. Tan, N.I. Maltseva, L.F. Welk, R.P. Jedrzejczak, A. Joachimiak, Center for Structural Genomics of Infectious Diseases (CSGID)
PDB 7JU7 (PDBSUM) (Profunc) (GPSS) (MMDB)
Complexed with:
Other ligands: ,
R: 17%
Rfree: 19.1%
Resolution: 1.6Å
Deposited: 2020-08-19
Released:

Target IDP52003

Title: The crystal structure of Papain-Like Protease of SARS CoV-2 in complex with PLP_Snyder441
Authors: Osipiuk, J., Tesar, C., Endres, M., Lisnyak, V., Maki, S., Taylor, C., Zhang, Y., Zhou, Z., Azizi, S.A., Jones, K., Kathayat, R., Snyder, S.A., Dickinson, B.C., Joachimiak, A., Center for Structural Genomics of Infectious Diseases (CSGID)
PDB 7JN2 (PDBSUM) (Profunc) (GPSS) (MMDB)
Complexed with: , 3-amino-2-methyl-N-[(1R)-1-(naphthalen-1-yl)ethyl]benzamide
Other ligands: , , Unknown atom
R: 18.7%
Rfree: 20.9%
Resolution: 1.93Å
Deposited: 2020-08-03
Released: 2020-08-12
Title: The crystal structure of Papain-Like Protease of SARS CoV-2 , C111S mutant, in complex with PLP_Snyder530
Authors: Osipiuk, J., Tesar, C., Endres, M., Lisnyak, V., Maki, S., Taylor, C., Zhang, Y., Zhou, Z., Azizi, S.A., Jones, K., Kathayat, R., Snyder, S.A., Dickinson, B.C., Joachimiak, A., Center for Structural Genomics of Infectious Diseases (CSGID)
PDB 7JIV (PDBSUM) (Profunc) (GPSS) (MMDB)
Complexed with: , 5-(acryloylamino)-2-methyl-N-[(1R)-1-(naphthalen-1-yl)ethyl]benzamide
Other ligands: , , MES
R: 18.9%
Rfree: 20.1%
Resolution: 2.05Å
Deposited: 2020-07-23
Released: 2020-08-05
Title: The crystal structure of Papain-Like Protease of SARS CoV-2 in complex with PLP_Snyder530
Authors: Osipiuk, J., Tesar, C., Endres, M., Lisnyak, V., Maki, S., Taylor, C., Zhang, Y., Zhou, Z., Azizi, S.A., Jones, K., Kathayat, R., Snyder, S.A., Dickinson, B.C., Joachimiak, A., Center for Structural Genomics of Infectious Diseases (CSGID)
PDB 7JIW (PDBSUM) (Profunc) (GPSS) (MMDB)
Complexed with: , 5-(acryloylamino)-2-methyl-N-[(1R)-1-(naphthalen-1-yl)ethyl]benzamide
Other ligands: , MES
R: 21.4%
Rfree: 24%
Resolution: 2.3Å
Deposited: 2020-07-23
Released: 2020-08-05
Title: The crystal structure of Papain-Like Protease of SARS CoV-2 , C111S mutant, in complex with PLP_Snyder495
Authors: Osipiuk, J., Tesar, C., Endres, M., Lisnyak, V., Maki, S., Taylor, C., Zhang, Y., Zhou, Z., Azizi, S.A., Jones, K., Kathayat, R., Snyder, S.A., Dickinson, B.C., Joachimiak, A., Center for Structural Genomics of Infectious Diseases (CSGID)
PDB 7JIT (PDBSUM) (Profunc) (GPSS) (MMDB)
Complexed with: , 5-[(carbamoylcarbamoyl)amino]-2-methyl-N-[(1R)-1-(naphthalen-1-yl)ethyl]benzamide
Other ligands: , , MES
R: 17.6%
Rfree: 19%
Resolution: 1.95Å
Deposited: 2020-07-23
Released: 2020-08-05
Title: The crystal structure of Papain-Like Protease of SARS CoV-2 , C111S mutant, in complex with PLP_Snyder457
Authors: Osipiuk, J., Tesar, C., Endres, M., Lisnyak, V., Maki, S., Taylor, C., Zhang, Y., Zhou, Z., Azizi, S.A., Jones, K., Kathayat, R., Snyder, S.A., Dickinson, B.C., Joachimiak, A., Center for Structural Genomics of Infectious Diseases (CSGID)
PDB 7JIR (PDBSUM) (Profunc) (GPSS) (MMDB)
Complexed with: , 5-amino-2-methyl-n-[(1r)-1-naphthalen-1-ylethyl]benzami de
Other ligands: , , MES
R: 18.7%
Rfree: 20%
Resolution: 2.09Å
Deposited: 2020-07-23
Released: 2020-08-05

Target IDP52005

Title: The crystal structure of 3CL MainPro of SARS-CoV-2 with de-oxidized C145
Authors: K.Tan, N.I. Maltseva, L.F. Welk, R.P. Jedrzejczak, A. Joachimiak, Center for Structural Genomics of Infectious Diseases (CSGID)
PDB 7JFQ (PDBSUM) (Profunc) (GPSS) (MMDB)
Other ligands: ,
R: 17.1%
Rfree: 19.8%
Resolution: 1.55Å
Deposited: 2020-07-17
Released:
Title: The crystal structure of 3CL MainPro of SARS-CoV-2 with C145S mutation
Authors: K.Tan, N.I. Maltseva, L.F. Welk, R.P. Jedrzejczak, A. Joachimiak, Center for Structural Genomics of Infectious Diseases (CSGID)
PDB 6XOA (PDBSUM) (Profunc) (GPSS) (MMDB)
Other ligands: ,
R: 20.8%
Rfree: 25.1%
Resolution: 2.1Å
Deposited: 2020-07-06
Released:
Title: THE 1.28A CRYSTAL STRUCTURE OF 3CL MAINPRO OF SARS-COV-2 WITH OXIDIZED C145 (sulfinic acid cysteine)
Authors: K.Tan, N.I. Maltseva, L.F. Welk, R.P. Jedrzejczak, L. Coates, A.Y. Kovalevskyi, A. Joachimiak, Center for Structural Genomics of Infectious Diseases (CSGID)
PDB 6XKH (PDBSUM) (Profunc) (GPSS) (MMDB)
Other ligands: , ,
R: 15.7%
Rfree: 17.5%
Resolution: 1.28Å
Deposited: 2020-06-26
Released:
Title: The crystal structure of 3CL MainPro of SARS-CoV-2 with oxidized Cys145 (Sulfenic acid cysteine)
Authors: K.Tan, N.I. Maltseva, L.F. Welk, R.P. Jedrzejczak, L. Coates, A.Y. Kovalevskyi, A. Joachimiak, Center for Structural Genomics of Infectious Diseases (CSGID)
PDB 6XKF (PDBSUM) (Profunc) (GPSS) (MMDB)
Other ligands: ,
R: 19.2%
Rfree: 23.9%
Resolution: 1.8Å
Deposited: 2020-06-26
Released:

Target IDP52003

Title: The crystal structure of Papain-Like Protease of SARS CoV-2 , C111S mutant, at room temperature
Authors: Osipiuk, J., Tesar, C., Jedrzejczak, R., Endres, M., Joachimiak, A., Center for Structural Genomics of Infectious Diseases (CSGID)
PDB 6XG3 (PDBSUM) (Profunc) (GPSS) (MMDB)
Complexed with:
Other ligands: ,
R: 15.4%
Rfree: 19.3%
Resolution: 2.48Å
Deposited: 2020-06-16
Released: 2020-06-24

Target IDP52015

Title: CRYSTAL STRUCTURE OF NSP15 ENDORIBONUCLEASE FROM SARS COV-2 IN THE COMPLEX WITH 3''''''''-URIDINEMONOPHOSPHATE
Authors: C.CHANG,Y.KIM,N.MALTSEVA,R.JEDRZEJCZAK,M.ENDRES,K.MICHALSKA, A.JOACHIMIAK,CENTER FOR STRUCTURAL GENOMICS OF INFECTIOUS DISEASES (CSGID)
PDB 6X4I (PDBSUM) (Profunc) (GPSS) (MMDB)
Complexed with:
Other ligands: ,
R: 16.7%
Rfree: 18.9%
Resolution: 1.85Å
Deposited: 2020-05-22
Released:
Title: Crystal Structure of NSP15 Endoribonuclease from SARS CoV-2 in the Complex with the Product Nucleotide GpU
Authors: Kim, Y., Maltseva, N., Jedrzejczak, R., Endres, M., Chang, C., Michalska, K., Joachimiak, A., Center for Structural Genomics of Infectious Diseases
PDB 6X1B (PDBSUM) (Profunc) (GPSS) (MMDB)
Complexed with: unknown, unknown
Other ligands: ,
R: 16.5%
Rfree: 18.5%
Resolution: 1.97Å
Deposited: 2020-05-18
Released: 2020-05-27

Target IDP52003

Title: The crystal structure of Papain-Like Protease of SARS CoV-2 , P3221 space group
Authors: Osipiuk, J., Tesar, C., Endres, M., Jedrzejczak, R., Joachimiak, A., Center for Structural Genomics of Infectious Diseases (CSGID)
PDB 6WZU (PDBSUM) (Profunc) (GPSS) (MMDB)
Complexed with:
Other ligands: , ,
R: 16.1%
Rfree: 17.4%
Resolution: 1.79Å
Deposited: 2020-05-14
Released: 2020-05-27

Target IDP52015

Title: Crystal Structure of NSP15 Endoribonuclease from SARS CoV-2 in the Complex with potential repurposing drug Tipiracil
Authors: Kim, Y., Maltseva, N., Jedrzejczak, R., Endres, M., Godzik, A., Michalska, K., Joachimiak, A., Center for Structural Genomics of Infectious Diseases
PDB 6WXC (PDBSUM) (Profunc) (GPSS) (MMDB)
Complexed with: 3-pyridin-4-yl-2,4-dihydro-indeno[1,2-.c.]pyrazole
Other ligands: , ,
R: 17.2%
Rfree: 19.4%
Resolution: 1.85Å
Deposited: 2020-05-10
Released: 2020-05-20

Target CPX_52010_52016

Title: Crystal Structure of Nsp16-Nsp10 from SARS-CoV-2 in Complex with 7-methyl-GpppA and S-Adenosylmethionine.
Authors: Minasov, G., Shuvalova, L., Rosas-Lemus, M., Kiryukhina, O., Brunzelle, J.S., Satchell, K.J.F., Center for Structural Genomics of Infectious Diseases (CSGID)
PDB 6WVN (PDBSUM) (Profunc) (GPSS) (MMDB)
Complexed with: , 7-methyl-guanosine-5'-triphosphate, adenine, p1-7-methylguanosine-p3-adenosine-5',5'-triphosphate, s-adenosylmethionine
Other ligands: ,
R: 16.3%
Rfree: 17.8%
Resolution: 2Å
Deposited: 2020-05-05
Released: 2020-05-13
Title: Crystal Structure of Nsp16-Nsp10 Heterodimer from SARS-CoV-2 with 7-methyl-GpppA and S-adenosyl-L-homocysteine in the Active Site and Sulfates in the mRNA Binding Groove.
Authors: Minasov, G., Shuvalova, L., Rosas-Lemus, M., Brunzelle, J.S., Kiryukhina, O., Satchell, K.J.F., Center for Structural Genomics of Infectious Diseases (CSGID)
PDB 6WRZ (PDBSUM) (Profunc) (GPSS) (MMDB)
Complexed with: , , 7-methyl-guanosine-5'-triphosphate, p1-7-methylguanosine-p3-adenosine-5',5'-triphosphate
Other ligands: ,
R: 16.3%
Rfree: 19%
Resolution: 2.25Å
Deposited: 2020-04-30
Released: 2020-05-13

Target IDP52003

Title: The crystal structure of Papain-Like Protease of SARS CoV-2 , C111S mutant
Authors: Osipiuk, J., Tesar, C., Jedrzejczak, R., Endres, M., Welk, L., Babnigg, G., Kim, Y., Michalska, K., Joachimiak, A., Center for Structural Genomics of Infectious Diseases (CSGID)
PDB 6WRH (PDBSUM) (Profunc) (GPSS) (MMDB)
Complexed with:
Other ligands: , ,
R: 12.6%
Rfree: 16.4%
Resolution: 1.6Å
Deposited: 2020-04-29
Released: 2020-05-06
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