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2JAS
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BU of 2jas by Molmil
Structure of deoxyadenosine kinase from M.mycoides with bound dATP
分子名称: 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, DEOXYGUANOSINE KINASE, MAGNESIUM ION
著者Welin, M, Wang, L, Eriksson, S, Eklund, H.
登録日2006-11-30
公開日2007-01-03
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structure-Function Analysis of a Bacterial Deoxyadenosine Kinase Reveals the Basis for Substrate Specificity.
J.Mol.Biol., 366, 2007
1BE1
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BU of 1be1 by Molmil
GLUTAMATE MUTASE (B12-BINDING SUBUNIT), NMR, MINIMIZED AVERAGE STRUCTURE
分子名称: GLUTAMATE MUTASE
著者Tollinger, M, Konrat, R, Hilbert, B.H, Marsh, E.N.G, Kraeutler, B.
登録日1998-05-19
公開日1998-08-26
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献How a protein prepares for B12 binding: structure and dynamics of the B12-binding subunit of glutamate mutase from Clostridium tetanomorphum
Structure, 6, 1998
2JFS
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BU of 2jfs by Molmil
Crystal structure of the PPM Ser-Thr phosphatase MsPP from Mycobacterium smegmatis in complex with cacodylate
分子名称: CACODYLATE ION, GLYCEROL, MANGANESE (II) ION, ...
著者Bellinzoni, M, Wehenkel, A, Shepard, W, Alzari, P.M.
登録日2007-02-04
公開日2007-07-24
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Insights Into the Mechanism of Ppm Ser/Thr Phosphatases from the Atomic Resolution Structures of a Mycobacterial Enzyme
Structure, 15, 2007
2UZ3
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BU of 2uz3 by Molmil
Crystal Structure of Thymidine Kinase with dTTP from U. urealyticum
分子名称: MAGNESIUM ION, THYMIDINE KINASE, THYMIDINE-5'-TRIPHOSPHATE, ...
著者Welin, M, Kosinska, U, Mikkelsen, N.E, Carnrot, C, Zhu, C, Wang, L, Eriksson, S, Munch-Petersen, B, Eklund, H.
登録日2007-04-24
公開日2007-05-29
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structures of Thymidine Kinase 1 of Human and Mycoplasmic Origin
Proc.Natl.Acad.Sci.USA, 101, 2004
2JFT
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BU of 2jft by Molmil
Crystal structure of the PPM Ser-Thr phosphatase MsPP from Mycobacterium smegmatis in complex with sulfate
分子名称: MAGNESIUM ION, MANGANESE (II) ION, SER-THR PHOSPHATASE MSPP, ...
著者Bellinzoni, M, Wehenkel, A, Shepard, W, Alzari, P.M.
登録日2007-02-04
公開日2007-07-24
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.08 Å)
主引用文献Insights Into the Mechanism of Ppm Ser/Thr Phosphatases from the Atomic Resolution Structures of a Mycobacterial Enzyme
Structure, 15, 2007
2JFR
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BU of 2jfr by Molmil
Crystal structure of the PPM Ser-Thr phosphatase MsPP from Mycobacterium smegmatis in complex with phosphate at 0.83 A resolution
分子名称: CHLORIDE ION, MAGNESIUM ION, MANGANESE (II) ION, ...
著者Bellinzoni, M, Wehenkel, A, Shepard, W, Alzari, P.M.
登録日2007-02-04
公開日2007-07-24
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (0.83 Å)
主引用文献Insights Into the Mechanism of Ppm Ser/Thr Phosphatases from the Atomic Resolution Structures of a Mycobacterial Enzyme
Structure, 15, 2007
2V57
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BU of 2v57 by Molmil
Crystal structure of the TetR-like transcriptional regulator LfrR from Mycobacterium smegmatis in complex with proflavine
分子名称: ISOPROPYL ALCOHOL, PROFLAVIN, SULFATE ION, ...
著者Bellinzoni, M, Buroni, S, Riccardi, G, De Rossi, E, Alzari, P.M.
登録日2008-10-02
公開日2009-10-20
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural Plasticity and Distinct Drug-Binding Modes of Lfrr, a Mycobacterial Efflux Pump Regulator.
J.Bacteriol., 191, 2009
2WGB
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BU of 2wgb by Molmil
Crystal structure of the TetR-like transcriptional regulator LfrR from Mycobacterium smegmatis
分子名称: SULFATE ION, TETR FAMILY TRANSCRIPTIONAL REPRESSOR LFRR
著者Bellinzoni, M, Buroni, S, Riccardi, G, De Rossi, E, Alzari, P.M.
登録日2009-04-16
公開日2009-10-20
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural Plasticity and Distinct Drug-Binding Modes of Lfrr, a Mycobacterial Efflux Pump Regulator.
J.Bacteriol., 191, 2009
1MKS
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BU of 1mks by Molmil
CARBOXYLIC ESTER HYDROLASE, TRIGONAL FORM OF THE TRIPLE MUTANT
分子名称: CALCIUM ION, PHOSPHOLIPASE A2
著者Sundaralingam, M.
登録日1997-08-27
公開日1997-12-24
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Phospholipase A2 engineering. Structural and functional roles of the highly conserved active site residue aspartate-99.
Biochemistry, 36, 1997
8H6I
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BU of 8h6i by Molmil
The crystal structure of SARS-CoV-2 3C-like protease Double Mutant (L50F and E166V) in complex with a traditional Chinese Medicine Inhibitors
分子名称: (1beta,6beta,7beta,8alpha,9beta,10alpha,13alpha,14R,16beta)-1,6,7,14-tetrahydroxy-7,20-epoxykauran-15-one, 3C-like proteinase nsp5
著者Lin, M, Liu, X.
登録日2022-10-17
公開日2023-10-11
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Molecular mechanisms of SARS-CoV-2 resistance to nirmatrelvir.
Nature, 622, 2023
8H7K
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BU of 8h7k by Molmil
SARS-CoV-2 Mpro Double Mutant (H41A and T21I) in complex with nsp4/5 peptidyl substrate
分子名称: 3C-like proteinase nsp5, nsp4/5 peptidyl substrate
著者Lin, M, Liu, X.
登録日2022-10-20
公開日2023-10-11
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Molecular mechanisms of SARS-CoV-2 resistance to nirmatrelvir.
Nature, 622, 2023
8H5F
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BU of 8h5f by Molmil
Crystal Structure of SARS-CoV-2 Main Protease (Mpro) L167F Mutant in Complex with Inhibitor Nirmatrelvir
分子名称: (1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5
著者Lin, M, Liu, X.
登録日2022-10-13
公開日2023-10-11
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Molecular mechanisms of SARS-CoV-2 resistance to nirmatrelvir.
Nature, 622, 2023
8H51
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BU of 8h51 by Molmil
Crystal Structure of SARS-CoV-2 Main Protease (Mpro) Double Mutant (T21I and E166V) in Complex with Inhibitor Nirmatrelvir
分子名称: (1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5
著者Lin, M, Liu, X.
登録日2022-10-11
公開日2023-10-11
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.18 Å)
主引用文献Molecular mechanisms of SARS-CoV-2 resistance to nirmatrelvir.
Nature, 622, 2023
8H57
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BU of 8h57 by Molmil
Crystal Structure of SARS-CoV-2 Main Protease (Mpro) A193P Mutant in Complex with Inhibitor Nirmatrelvir
分子名称: (1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5
著者Lin, M, Liu, X.
登録日2022-10-12
公開日2023-10-11
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Molecular mechanisms of SARS-CoV-2 resistance to nirmatrelvir.
Nature, 622, 2023
8H5P
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BU of 8h5p by Molmil
Crystal Structure of SARS-CoV-2 Main Protease (Mpro) Double Mutant (L50F and E166V) in Complex with Inhibitor Nirmatrelvir
分子名称: (1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5
著者Lin, M, Liu, X.
登録日2022-10-13
公開日2023-10-11
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献Molecular mechanisms of SARS-CoV-2 resistance to nirmatrelvir.
Nature, 622, 2023
8H6N
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BU of 8h6n by Molmil
Crystal structure of SARS-CoV-2 main protease (Mpro) Mutant (T21I) in complex with protease inhibitor Nirmatrelvir
分子名称: (1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 2-(diethylamino)-N-(2,6-dimethylphenyl)ethanamide, 3C-like proteinase nsp5
著者Lin, M, Liu, X.
登録日2022-10-18
公開日2023-10-11
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Molecular mechanisms of SARS-CoV-2 resistance to nirmatrelvir.
Nature, 622, 2023
8H7W
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BU of 8h7w by Molmil
Crystal structure of SARS-CoV-2 main protease (Mpro) Mutant (S144A) in complex with protease inhibitor Nirmatrelvir
分子名称: (1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5
著者Lin, M, Liu, X.
登録日2022-10-21
公開日2023-10-11
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Molecular mechanisms of SARS-CoV-2 resistance to nirmatrelvir.
Nature, 622, 2023
8H82
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BU of 8h82 by Molmil
Crystal structure of SARS-CoV-2 main protease (Mpro) Mutant (E166V) in complex with protease inhibitor Nirmatrelvir
分子名称: (1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5
著者Lin, M, Liu, X.
登録日2022-10-21
公開日2023-10-11
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Molecular mechanisms of SARS-CoV-2 resistance to nirmatrelvir.
Nature, 622, 2023
8HBK
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BU of 8hbk by Molmil
The crystal structure of SARS-CoV-2 3CL protease in complex with Ensitrelvir
分子名称: 3C-like proteinase nsp5, 6-[(6-chloranyl-2-methyl-indazol-5-yl)amino]-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-[[2,4,5-tris(fluoranyl)phenyl]methyl]-1,3,5-triazine-2,4-dione
著者Lin, M.
登録日2022-10-29
公開日2023-10-11
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Molecular mechanisms of SARS-CoV-2 resistance to nirmatrelvir.
Nature, 622, 2023
8H4Y
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BU of 8h4y by Molmil
Crystal Structure of SARS-CoV-2 Main Protease (Mpro) F140L Mutant in Complex with Inhibitor Nirmatrelvir
分子名称: (1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5
著者Lin, M, Liu, X.
登録日2022-10-11
公開日2023-10-11
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Molecular mechanisms of SARS-CoV-2 resistance to nirmatrelvir.
Nature, 622, 2023
6QRO
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BU of 6qro by Molmil
Crystal structure of Tannerella forsythia glutaminyl cyclase
分子名称: Glutamine cyclotransferase, SULFATE ION, ZINC ION
著者Linnert, M, Piechotta, A, Parthier, C, Taudte, N, Kolenko, P, Rahfeld, J, Potempa, J, Stubbs, M.T.
登録日2019-02-19
公開日2019-03-06
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Mammalian-like type II glutaminyl cyclases in Porphyromonas gingivalis and other oral pathogenic bacteria as targets for treatment of periodontitis.
J.Biol.Chem., 296, 2021
6QQL
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BU of 6qql by Molmil
Crystal structure of Porphyromonas gingivalis glutaminyl cyclase
分子名称: Glutamine cyclotransferase, ZINC ION
著者Linnert, M, Piechotta, A, Parthier, C, Taudte, N, Kolenko, P, Rahfeld, J, Potempa, J, Stubbs, M.T.
登録日2019-02-18
公開日2019-03-06
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.814 Å)
主引用文献Mammalian-like type II glutaminyl cyclases in Porphyromonas gingivalis and other oral pathogenic bacteria as targets for treatment of periodontitis.
J.Biol.Chem., 296, 2021
4TNC
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BU of 4tnc by Molmil
REFINED STRUCTURE OF CHICKEN SKELETAL MUSCLE TROPONIN C IN THE TWO-CALCIUM STATE AT 2-ANGSTROMS RESOLUTION
分子名称: CALCIUM ION, TROPONIN C
著者Sundaralingam, M.
登録日1987-09-28
公開日1988-07-16
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Refined structure of chicken skeletal muscle troponin C in the two-calcium state at 2-A resolution.
J.Biol.Chem., 263, 1988
5K59
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BU of 5k59 by Molmil
Crystal structure of LukGH from Staphylococcus aureus in complex with a neutralising antibody
分子名称: CHLORIDE ION, Fab heavy chain, Fab light chain, ...
著者Welin, M, Logan, D.T, Badarau, A, Mirkina, I, Zauner, G, Dolezilkova, I, Nagy, E.
登録日2016-05-23
公開日2016-08-10
最終更新日2018-01-17
実験手法X-RAY DIFFRACTION (2.84 Å)
主引用文献Context matters: The importance of dimerization-induced conformation of the LukGH leukocidin of Staphylococcus aureus for the generation of neutralizing antibodies.
Mabs, 8, 2016
6NSV
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BU of 6nsv by Molmil
Crystal structure of the human CHIP TPR domain in complex with a 5mer acetylated optimized peptide
分子名称: ACE-LEU-TRP-TRP-PRO-ASP, CHLORIDE ION, E3 ubiquitin-protein ligase CHIP, ...
著者Basu, K, Ravalin, M, Bohn, M.-F, Craik, C.S, Gestwicki, J.E.
登録日2019-01-25
公開日2019-07-31
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.305 Å)
主引用文献Specificity for latent C termini links the E3 ubiquitin ligase CHIP to caspases.
Nat.Chem.Biol., 15, 2019

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