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8S9K
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Structure of dimeric FAM111A SPD S541A Mutant
分子名称: GLYCEROL, Serine protease FAM111A
著者Palani, S, Alvey, J.A, Cong, A.T.Q, Schellenberg, M.J, Machida, Y.
登録日2023-03-29
公開日2024-03-20
実験手法X-RAY DIFFRACTION (2.72 Å)
主引用文献Dimerization-dependent serine protease activity of FAM111A prevents replication fork stalling at topoisomerase 1 cleavage complexes.
Nat Commun, 15, 2024
7TOB
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BU of 7tob by Molmil
Crystal structure of the SARS-CoV-2 Omicron main protease (Mpro) in complex with inhibitor GC376
分子名称: (1S,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase nsp5, DI(HYDROXYETHYL)ETHER
著者Sacco, M.D, Wang, J, Chen, Y.
登録日2022-01-24
公開日2022-02-02
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献The P132H mutation in the main protease of Omicron SARS-CoV-2 decreases thermal stability without compromising catalysis or small-molecule drug inhibition.
Cell Res., 32, 2022
4GI3
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BU of 4gi3 by Molmil
Crystal structure of Greglin in complex with subtilisin
分子名称: Greglin, KerA
著者Kellenberger, C, Roussel, A.
登録日2012-08-08
公開日2012-11-14
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Crystal structure of greglin, a novel non-classical Kazal inhibitor, in complex with subtilisin
Febs J., 279, 2012
6GOP
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BU of 6gop by Molmil
Yeast 20S Proteasome in complex with Homosalinosporamide A
分子名称: CHLORIDE ION, Homosalinosporamide A - bound form, MAGNESIUM ION, ...
著者Groll, M, Romo, D.
登録日2018-06-01
公開日2018-08-01
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献(-)-Homosalinosporamide A and Its Mode of Proteasome Inhibition: An X-ray Crystallographic Study.
Mar Drugs, 16, 2018
6NY0
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BU of 6ny0 by Molmil
Crystal structure of trimethoprim-resistant type II dihydrofolate reductase in complex with a bisbenzimidazole inhibitor
分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, 2-(4-{3-[4-(6-carboxy-1H-benzimidazol-2-yl)phenoxy]-2-hydroxypropoxy}phenyl)-1H-benzimidazole-5-carboxylic acid, Dihydrofolate reductase type 2, ...
著者Yachnin, B.J, Berghuis, A.M.
登録日2019-02-10
公開日2019-05-29
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Structure-Based Design of Dimeric Bisbenzimidazole Inhibitors to an Emergent Trimethoprim-Resistant Type II Dihydrofolate Reductase Guides the Design of Monomeric Analogues.
Acs Omega, 4, 2019
6N8A
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BU of 6n8a by Molmil
Crystal structure of selenomethionine-containing AcaB from uropathogenic E. coli
分子名称: CHLORIDE ION, transcription regulator AcaB
著者Luo, Z, Hancock, S.J, Schembri, M.A, Kobe, B.
登録日2018-11-28
公開日2020-07-15
最終更新日2021-01-27
実験手法X-RAY DIFFRACTION (3.4011 Å)
主引用文献Comprehensive analysis of IncC plasmid conjugation identifies a crucial role for the transcriptional regulator AcaB.
Nat Microbiol, 5, 2020
6N8B
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Crystal structure of transcription regulator AcaB from uropathogenic E. coli
分子名称: CALCIUM ION, transcription regulator AcaB
著者Luo, Z, Hancock, S.J, Schembri, M.A, Kobe, B.
登録日2018-11-29
公開日2020-07-15
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.94 Å)
主引用文献Comprehensive analysis of IncC plasmid conjugation identifies a crucial role for the transcriptional regulator AcaB.
Nat Microbiol, 5, 2020
4WED
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BU of 4wed by Molmil
Crystal structure of ABC transporter substrate-binding protein from Sinorhizobium meliloti
分子名称: ABC transporter, periplasmic solute-binding protein, FORMIC ACID, ...
著者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)
登録日2014-09-09
公開日2014-09-24
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Crystal structure of ABC transporter substrate-binding protein from Sinorhizobium meliloti
to be published
4WEQ
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Crystal structure of NADPH-dependent glyoxylate/hydroxypyruvate reductase SMc02828 (SmGhrA) from Sinorhizobium meliloti in complex with NADP and sulfate
分子名称: CHLORIDE ION, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
著者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)
登録日2014-09-10
公開日2014-09-24
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural, Biochemical, and Evolutionary Characterizations of Glyoxylate/Hydroxypyruvate Reductases Show Their Division into Two Distinct Subfamilies.
Biochemistry, 57, 2018
4WY3
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BU of 4wy3 by Molmil
Structure of SARS-3CL protease complex with a phenylbenzoyl (R,S)-N-decalin type inhibitor
分子名称: (2S)-2-({[(3R,4aS,8aR)-2-(biphenyl-4-ylcarbonyl)decahydroisoquinolin-3-yl]methyl}amino)-3-(1H-imidazol-5-yl)propanal, 3C-like proteinase
著者Akaji, K, Teruya, K, Shimamoto, Y, Sanjho, A, Yamashita, E, Nakagawa, A.
登録日2014-11-15
公開日2015-02-18
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Fused-ring structure of decahydroisoquinolin as a novel scaffold for SARS 3CL protease inhibitors.
Bioorg.Med.Chem., 23, 2015
5W78
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Human acyloxyacyl hydrolase (AOAH), proteolytically processed
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Acyloxyacyl hydrolase, CALCIUM ION, ...
著者Gorelik, A, Illes, K, Nagar, B.
登録日2017-06-19
公開日2018-01-03
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.271 Å)
主引用文献Crystal structure of the mammalian lipopolysaccharide detoxifier.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
5W7C
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Human acyloxyacyl hydrolase (AOAH), proteolytically processed, S263A mutant, with LPS
分子名称: 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, ...
著者Gorelik, A, Illes, K, Nagar, B.
登録日2017-06-19
公開日2018-01-03
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.23 Å)
主引用文献Crystal structure of the mammalian lipopolysaccharide detoxifier.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
5V0S
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BU of 5v0s by Molmil
Crystal structure of the ACT domain of prephenate dehydrogenase tyrA from Bacillus anthracis
分子名称: CALCIUM ION, Prephenate dehydrogenase, SULFATE ION
著者Shabalin, I.G, Hou, J, Cymborowski, M.T, Otwinowski, Z, Kwon, K, Christendat, D, Gritsunov, A, Anderson, W.F, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2017-02-28
公開日2017-03-08
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Structural and biochemical analysis of Bacillus anthracis prephenate dehydrogenase reveals an unusual mode of inhibition by tyrosine via the ACT domain.
Febs J., 287, 2020
5V72
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Crystal structure of NADPH-dependent glyoxylate/hydroxypyruvate reductase SMc04462 (SmGhrB) from Sinorhizobium meliloti in complex with citrate
分子名称: CHLORIDE ION, CITRIC ACID, GLYCEROL, ...
著者Shabalin, I.G, Handing, K.B, Gasiorowska, O.A, Cooper, D.R, Matelska, D, Bonanno, J, Almo, S.C, Minor, W, New York Structural Genomics Research Consortium (NYSGRC)
登録日2017-03-17
公開日2017-03-29
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural, Biochemical, and Evolutionary Characterizations of Glyoxylate/Hydroxypyruvate Reductases Show Their Division into Two Distinct Subfamilies.
Biochemistry, 57, 2018
5JD5
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BU of 5jd5 by Molmil
Crystal structure of MGS-MilE3, an alpha/beta hydrolase enzyme from the metagenome of pyrene-phenanthrene enrichment culture with sediment sample of Milazzo Harbor, Italy
分子名称: CHLORIDE ION, MGS-MilE3
著者Stogios, P.J, Xu, X, Cui, H, Martinez-Martinez, M, Chernikova, T.N, Golyshin, P.N, Yakimov, M.M, Ferrer, M, Savchenko, A.
登録日2016-04-15
公開日2016-05-04
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Crystal structure of MGS-MilE3, an alpha/beta hydrolase enzyme from the metagenome of pyrene-phenanthrene enrichment culture with sediment sample of Milazzo Harbor, Italy
To Be Published
7V7M
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BU of 7v7m by Molmil
crystal structure of SARS-CoV-2 3CL protease
分子名称: 3C-like proteinase
著者Yi, Y, Zhang, M, Ye, M.
登録日2021-08-21
公開日2022-06-29
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献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
7W22
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BU of 7w22 by Molmil
Structure of the M. tuberculosis HtrA K436A mutant
分子名称: Probable serine protease HtrA1
著者Gupta, A.K, Gopal, B.
登録日2021-11-21
公開日2022-11-23
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Allosteric Determinants in High Temperature Requirement A Enzymes Are Conserved and Regulate the Population of Active Conformations.
Acs Chem.Biol., 18, 2023
7W23
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Structure of the M. tuberculosis HtrA S363A mutant
分子名称: Probable serine protease HtrA1
著者Gupta, A.K, Gopal, B.
登録日2021-11-21
公開日2022-11-23
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Allosteric Determinants in High Temperature Requirement A Enzymes Are Conserved and Regulate the Population of Active Conformations.
Acs Chem.Biol., 18, 2023
7W24
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BU of 7w24 by Molmil
Structure of the M. tuberculosis HtrA N383A mutant
分子名称: Probable serine protease HtrA1
著者Gupta, A.K, Gopal, B.
登録日2021-11-21
公開日2022-11-23
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Allosteric Determinants in High Temperature Requirement A Enzymes Are Conserved and Regulate the Population of Active Conformations.
Acs Chem.Biol., 18, 2023
7W25
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Structure of the M. tuberculosis HtrA S413A mutant
分子名称: Probable serine protease HtrA1
著者Gupta, A.K, Gopal, B.
登録日2021-11-21
公開日2022-11-23
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Allosteric Determinants in High Temperature Requirement A Enzymes Are Conserved and Regulate the Population of Active Conformations.
Acs Chem.Biol., 18, 2023
7VZ0
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BU of 7vz0 by Molmil
Structure of the M. tuberculosis HtrA S407A mutant
分子名称: Probable serine protease HtrA1
著者Gupta, A.K, Gopal, B.
登録日2021-11-15
公開日2022-11-23
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Allosteric Determinants in High Temperature Requirement A Enzymes Are Conserved and Regulate the Population of Active Conformations.
Acs Chem.Biol., 18, 2023
7W21
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BU of 7w21 by Molmil
Structure of the M. tuberculosis HtrA N269A mutant
分子名称: Probable serine protease HtrA1
著者Gupta, A.K, Gopal, B.
登録日2021-11-21
公開日2022-11-23
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Allosteric Determinants in High Temperature Requirement A Enzymes Are Conserved and Regulate the Population of Active Conformations.
Acs Chem.Biol., 18, 2023
7W4R
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BU of 7w4r by Molmil
Structure of the M. tuberculosis HtrA N269A mutant at room-temperature
分子名称: Probable serine protease HtrA1
著者Gupta, A.K, Gopal, B.
登録日2021-11-29
公開日2022-12-07
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.701 Å)
主引用文献Allosteric Determinants in High Temperature Requirement A Enzymes Are Conserved and Regulate the Population of Active Conformations.
Acs Chem.Biol., 18, 2023
7W4W
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Structure of the M. tuberculosis HtrA K436A mutant at room-temperature
分子名称: Probable serine protease HtrA1
著者Gupta, A.K, Gopal, B.
登録日2021-11-29
公開日2022-12-07
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Allosteric Determinants in High Temperature Requirement A Enzymes Are Conserved and Regulate the Population of Active Conformations.
Acs Chem.Biol., 18, 2023
7W4T
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BU of 7w4t by Molmil
Structure of the M. tuberculosis HtrA S367A mutant at room-temperature
分子名称: Probable serine protease HtrA1
著者Gupta, A.K, Gopal, B.
登録日2021-11-29
公開日2022-12-07
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献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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