8Y2U
 
 | | Crystal structure of 3C protease from coxsackievirus B4 | | Descriptor: | Protease 3C | | Authors: | Jiang, H.H, Lin, C, Zhang, J, Li, J. | | Deposit date: | 2024-01-27 | | Release date: | 2024-08-14 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | Crystal structures of the 3C proteases from Coxsackievirus B3 and B4.
Acta Crystallogr.,Sect.F, 80, 2024
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5W7C
 | | Human acyloxyacyl hydrolase (AOAH), proteolytically processed, S263A mutant, with LPS | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 3-HYDROXY-TETRADECANOIC ACID, ... | | Authors: | Gorelik, A, Illes, K, Nagar, B. | | Deposit date: | 2017-06-19 | | Release date: | 2018-01-03 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.23 Å) | | Cite: | Crystal structure of the mammalian lipopolysaccharide detoxifier.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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4WED
 | | Crystal structure of ABC transporter substrate-binding protein from Sinorhizobium meliloti | | Descriptor: | ABC transporter, periplasmic solute-binding protein, FORMIC ACID, ... | | Authors: | Shabalin, I.G, Otwinowski, Z, Bacal, P, Cymborowski, M.T, Handing, K.B, Stead, M, Hammonds, J, Ahmed, M, Bonanno, J, Seidel, R, Almo, S.C, Minor, W, New York Structural Genomics Research Consortium (NYSGRC) | | Deposit date: | 2014-09-09 | | Release date: | 2014-09-24 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Crystal structure of ABC transporter substrate-binding protein from Sinorhizobium meliloti
to be published
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4WEQ
 | | Crystal structure of NADPH-dependent glyoxylate/hydroxypyruvate reductase SMc02828 (SmGhrA) from Sinorhizobium meliloti in complex with NADP and sulfate | | Descriptor: | CHLORIDE ION, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | | Authors: | Sroka, P, Gasiorowska, O.A, Handing, K.B, Shabalin, I.G, Osinski, T, Hillerich, B.S, Bonanno, J, Almo, S.C, Minor, W, New York Structural Genomics Research Consortium (NYSGRC) | | Deposit date: | 2014-09-10 | | Release date: | 2014-09-24 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural, Biochemical, and Evolutionary Characterizations of Glyoxylate/Hydroxypyruvate Reductases Show Their Division into Two Distinct Subfamilies.
Biochemistry, 57, 2018
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4WY3
 | | Structure of SARS-3CL protease complex with a phenylbenzoyl (R,S)-N-decalin type inhibitor | | Descriptor: | (2S)-2-({[(3R,4aS,8aR)-2-(biphenyl-4-ylcarbonyl)decahydroisoquinolin-3-yl]methyl}amino)-3-(1H-imidazol-5-yl)propanal, 3C-like proteinase | | Authors: | Akaji, K, Teruya, K, Shimamoto, Y, Sanjho, A, Yamashita, E, Nakagawa, A. | | Deposit date: | 2014-11-15 | | Release date: | 2015-02-18 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | Fused-ring structure of decahydroisoquinolin as a novel scaffold for SARS 3CL protease inhibitors.
Bioorg.Med.Chem., 23, 2015
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4XEA
 | | Crystal structure of putative M16-like peptidase from Alicyclobacillus acidocaldarius | | Descriptor: | ACETATE ION, GLYCEROL, NICKEL (II) ION, ... | | Authors: | Michalska, K, Tesar, C, Bearden, J, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2014-12-23 | | Release date: | 2015-03-18 | | Last modified: | 2019-12-25 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Crystal structure of putative M16-like peptidase from Alicyclobacillus acidocaldarius
To Be Published
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4TWW
 | | Structure of SARS-3CL protease complex with a Bromobenzoyl (S,R)-N-decalin type inhibitor | | Descriptor: | (2S)-2-({[(3S,4aR,8aS)-2-(4-bromobenzoyl)decahydroisoquinolin-3-yl]methyl}amino)-3-(1H-imidazol-5-yl)propanal, 3C-like proteinase | | Authors: | Akaji, K, Teruya, K, Shimamoto, Y, Sanjho, A, Yamashita, E, Nakagawa, A. | | Deposit date: | 2014-07-02 | | Release date: | 2015-02-18 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.42 Å) | | Cite: | Fused-ring structure of decahydroisoquinolin as a novel scaffold for SARS 3CL protease inhibitors
Bioorg.Med.Chem., 23, 2015
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4TWY
 | | Structure of SARS-3CL protease complex with a phenylbenzoyl (S,R)-N-decalin type inhibitor | | Descriptor: | (2S)-2-({[(3S,4aR,8aS)-2-(biphenyl-4-ylcarbonyl)decahydroisoquinolin-3-yl]methyl}amino)-3-(1H-imidazol-5-yl)propanal, 3C-like proteinase | | Authors: | Akaji, K, Teruya, K, Shimamoto, Y, Sanjho, A, Yamashita, E, Nakagawa, A. | | Deposit date: | 2014-07-02 | | Release date: | 2015-02-18 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Fused-ring structure of decahydroisoquinolin as a novel scaffold for SARS 3CL protease inhibitors
Bioorg.Med.Chem., 23, 2015
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8OKM
 | | Crystal structure of F2F-2020197-00X bound to the main protease (3CLpro/Mpro) of SARS-CoV-2. | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, 3C-like proteinase nsp5, ... | | Authors: | Costanzi, E, Demitri, N, Storici, P. | | Deposit date: | 2023-03-28 | | Release date: | 2023-05-03 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.66 Å) | | Cite: | Broad-spectrum coronavirus 3C-like protease peptidomimetic inhibitors effectively block SARS-CoV-2 replication in cells: Design, synthesis, biological evaluation, and X-ray structure determination.
Eur.J.Med.Chem., 253, 2023
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8OKL
 | | Crystal structure of F2F-2020185-01X bound to the main protease (3CLpro/Mpro) of SARS-CoV-2. | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, 3C-like proteinase nsp5, ... | | Authors: | Costanzi, E, Demitri, N, Storici, P. | | Deposit date: | 2023-03-28 | | Release date: | 2023-05-03 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Broad-spectrum coronavirus 3C-like protease peptidomimetic inhibitors effectively block SARS-CoV-2 replication in cells: Design, synthesis, biological evaluation, and X-ray structure determination.
Eur.J.Med.Chem., 253, 2023
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8OKK
 | | Crystal structure of F2F-2020184-00X bound to the main protease (3CLpro/Mpro) of SARS-CoV-2. | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, 3C-like proteinase nsp5, ... | | Authors: | Costanzi, E, Demitri, N, Storici, P. | | Deposit date: | 2023-03-28 | | Release date: | 2023-05-03 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.63 Å) | | Cite: | Broad-spectrum coronavirus 3C-like protease peptidomimetic inhibitors effectively block SARS-CoV-2 replication in cells: Design, synthesis, biological evaluation, and X-ray structure determination.
Eur.J.Med.Chem., 253, 2023
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8OKN
 | | Crystal structure of F2F-2020198-00X bound to the main protease (3CLpro/Mpro) of SARS-CoV-2. | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, 3C-like proteinase nsp5, ... | | Authors: | Costanzi, E, Demitri, N, Storici, P. | | Deposit date: | 2023-03-28 | | Release date: | 2023-05-03 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Broad-spectrum coronavirus 3C-like protease peptidomimetic inhibitors effectively block SARS-CoV-2 replication in cells: Design, synthesis, biological evaluation, and X-ray structure determination.
Eur.J.Med.Chem., 253, 2023
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5H23
 | | Crystal structure of Chikungunya virus capsid protein | | Descriptor: | 1,2-ETHANEDIOL, Capsid Protein, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Sharma, R, Kesari, P, Tomar, S, Kumar, P. | | Deposit date: | 2016-10-14 | | Release date: | 2018-03-14 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structure-function insights into chikungunya virus capsid protein: Small molecules targeting capsid hydrophobic pocket.
Virology, 515, 2018
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7ARA
 | | Rhinovirus A2 2A protease in complex with zVAM.fmk | | Descriptor: | (phenylmethyl) ~{N}-[(2~{R})-3-methyl-1-[[(2~{S})-1-[[(3~{S})-1-methylsulfanyl-4-oxidanylidene-pentan-3-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-butan-2-yl]carbamate, (phenylmethyl) ~{N}-[(2~{S})-3-methyl-1-[[(2~{R})-1-[[(3~{R})-1-methylsulfanyl-4-oxidanylidene-pentan-3-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-butan-2-yl]carbamate, 2A protease, ... | | Authors: | Deutschmann-Olek, K.M, Skern, T, Bezerra, G.A, Yue, W.W. | | Deposit date: | 2020-10-23 | | Release date: | 2021-07-28 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.243 Å) | | Cite: | Defining substrate selection by rhinoviral 2A proteinase through its crystal structure with the inhibitor zVAM.fmk.
Virology, 562, 2021
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5IEG
 | | Murine endoplasmic reticulum alpha-glucosidase II with N-9'-methoxynonyl-1-deoxynojirimycin. | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, DIMETHYL SULFOXIDE, ... | | Authors: | Caputo, A.T, Roversi, P, Alonzi, D.S, Kiappes, J.L, Zitzmann, N. | | Deposit date: | 2016-02-25 | | Release date: | 2016-07-27 | | Last modified: | 2024-04-24 | | Method: | X-RAY DIFFRACTION (1.822 Å) | | Cite: | Structures of mammalian ER alpha-glucosidase II capture the binding modes of broad-spectrum iminosugar antivirals.
Proc.Natl.Acad.Sci.USA, 113, 2016
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5IEF
 | | Murine endoplasmic reticulum alpha-glucosidase II with N-butyl-1-deoxynojirimycin | | Descriptor: | (2R,3R,4R,5S)-1-BUTYL-2-(HYDROXYMETHYL)PIPERIDINE-3,4,5-TRIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, ... | | Authors: | Caputo, A.T, Roversi, P, Alonzi, D.S, Kiappes, J.L, Zitzmann, N. | | Deposit date: | 2016-02-25 | | Release date: | 2016-07-27 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.38 Å) | | Cite: | Structures of mammalian ER alpha-glucosidase II capture the binding modes of broad-spectrum iminosugar antivirals.
Proc.Natl.Acad.Sci.USA, 113, 2016
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5IEE
 | | Murine endoplasmic reticulum alpha-glucosidase II with 1-deoxynojirimycin | | Descriptor: | 1,2-ETHANEDIOL, 1-DEOXYNOJIRIMYCIN, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Caputo, A.T, Roversi, P, Alonzi, D.S, Kiappes, J.L, Zitzmann, N. | | Deposit date: | 2016-02-25 | | Release date: | 2016-07-27 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.92 Å) | | Cite: | Structures of mammalian ER alpha-glucosidase II capture the binding modes of broad-spectrum iminosugar antivirals.
Proc.Natl.Acad.Sci.USA, 113, 2016
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5IED
 | | Murine endoplasmic reticulum alpha-glucosidase II with castanospermine | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | Authors: | Caputo, A.T, Roversi, P, Alonzi, D.S, Kiappes, J.L, Zitzmann, N. | | Deposit date: | 2016-02-25 | | Release date: | 2016-07-27 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.81 Å) | | Cite: | Structures of mammalian ER alpha-glucosidase II capture the binding modes of broad-spectrum iminosugar antivirals.
Proc.Natl.Acad.Sci.USA, 113, 2016
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7V7M
 | | crystal structure of SARS-CoV-2 3CL protease | | Descriptor: | 3C-like proteinase | | Authors: | Yi, Y, Zhang, M, Ye, M. | | Deposit date: | 2021-08-21 | | Release date: | 2022-06-29 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.08 Å) | | Cite: | Schaftoside inhibits 3CL pro and PL pro of SARS-CoV-2 virus and regulates immune response and inflammation of host cells for the treatment of COVID-19.
Acta Pharm Sin B, 12, 2022
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7W22
 | | Structure of the M. tuberculosis HtrA K436A mutant | | Descriptor: | Probable serine protease HtrA1 | | Authors: | Gupta, A.K, Gopal, B. | | Deposit date: | 2021-11-21 | | Release date: | 2022-11-23 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | Allosteric Determinants in High Temperature Requirement A Enzymes Are Conserved and Regulate the Population of Active Conformations.
Acs Chem.Biol., 18, 2023
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7W25
 | | Structure of the M. tuberculosis HtrA S413A mutant | | Descriptor: | Probable serine protease HtrA1 | | Authors: | Gupta, A.K, Gopal, B. | | Deposit date: | 2021-11-21 | | Release date: | 2022-11-23 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Allosteric Determinants in High Temperature Requirement A Enzymes Are Conserved and Regulate the Population of Active Conformations.
Acs Chem.Biol., 18, 2023
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7W23
 | | Structure of the M. tuberculosis HtrA S363A mutant | | Descriptor: | Probable serine protease HtrA1 | | Authors: | Gupta, A.K, Gopal, B. | | Deposit date: | 2021-11-21 | | Release date: | 2022-11-23 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Allosteric Determinants in High Temperature Requirement A Enzymes Are Conserved and Regulate the Population of Active Conformations.
Acs Chem.Biol., 18, 2023
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7W24
 | | Structure of the M. tuberculosis HtrA N383A mutant | | Descriptor: | Probable serine protease HtrA1 | | Authors: | Gupta, A.K, Gopal, B. | | Deposit date: | 2021-11-21 | | Release date: | 2022-11-23 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Allosteric Determinants in High Temperature Requirement A Enzymes Are Conserved and Regulate the Population of Active Conformations.
Acs Chem.Biol., 18, 2023
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7VZ0
 | | Structure of the M. tuberculosis HtrA S407A mutant | | Descriptor: | Probable serine protease HtrA1 | | Authors: | Gupta, A.K, Gopal, B. | | Deposit date: | 2021-11-15 | | Release date: | 2022-11-23 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Allosteric Determinants in High Temperature Requirement A Enzymes Are Conserved and Regulate the Population of Active Conformations.
Acs Chem.Biol., 18, 2023
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7W21
 | | Structure of the M. tuberculosis HtrA N269A mutant | | Descriptor: | Probable serine protease HtrA1 | | Authors: | Gupta, A.K, Gopal, B. | | Deposit date: | 2021-11-21 | | Release date: | 2022-11-23 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Allosteric Determinants in High Temperature Requirement A Enzymes Are Conserved and Regulate the Population of Active Conformations.
Acs Chem.Biol., 18, 2023
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