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5XWZ
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BU of 5xwz by Molmil
Crystal structure of a lactonase from Cladophialophora bantiana
分子名称: GLYCEROL, MALONATE ION, SODIUM ION, ...
著者Zheng, Y.Y, Liu, W.T, Liu, W.D, Chen, C.C, Guo, R.T.
登録日2017-06-30
公開日2018-05-02
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Characterization and crystal structure of a novel zearalenone hydrolase from Cladophialophora bantiana
Acta Crystallogr F Struct Biol Commun, 73, 2017
5GM5
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BU of 5gm5 by Molmil
Crystal structure of FI-CMCase from Aspergillus aculeatus F-50 in complex with cellobiose
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Endoglucanase-1, SULFATE ION, ...
著者Huang, J.W, Liu, W.D, Zheng, Y.Y, Chen, C.C, Guo, R.T.
登録日2016-07-12
公開日2017-05-17
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献Crystal structure and genetic modifications of FI-CMCase from Aspergillus aculeatus F-50
Biochem. Biophys. Res. Commun., 478, 2016
6ITA
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BU of 6ita by Molmil
Crystal structure of intracellular B30.2 domain of BTN3A1 mutant
分子名称: Butyrophilin subfamily 3 member A1
著者Yang, Y.Y, Liu, W.D, Cai, N.N, Chen, C.C, Guo, R.T, Zhang, Y.H.
登録日2018-11-20
公開日2019-04-03
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献A Structural Change in Butyrophilin upon Phosphoantigen Binding Underlies Phosphoantigen-Mediated V gamma 9V delta 2 T Cell Activation.
Immunity, 50, 2019
8H6T
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BU of 8h6t by Molmil
Complex structure of CDK2/Cyclin E1 and a potent, selective small molecule inhibitor
分子名称: (1R,3S)-3-{3-[(pyridin-2-yl)amino]-1H-pyrazol-5-yl}cyclopentyl propan-2-ylcarbamate, Cyclin-dependent kinase 2, G1/S-specific cyclin-E1
著者Ren, X.
登録日2022-10-18
公開日2023-02-22
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Accelerated Discovery of Macrocyclic CDK2 Inhibitor QR-6401 by Generative Models and Structure-Based Drug Design.
Acs Med.Chem.Lett., 14, 2023
8H6P
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BU of 8h6p by Molmil
Complex structure of CDK2/Cyclin E1 and a potent, selective macrocyclic inhibitor
分子名称: (7S,10R)-11-oxa-2,4,5,13,17,23-hexaazatetracyclo[17.3.1.1~3,6~.1~7,10~]pentacosa-1(23),3(25),5,19,21-pentaene-12,18-dione, Cyclin-dependent kinase 2, G1/S-specific cyclin-E1
著者Ren, X.
登録日2022-10-18
公開日2023-02-22
最終更新日2023-03-29
実験手法X-RAY DIFFRACTION (2.44 Å)
主引用文献Accelerated Discovery of Macrocyclic CDK2 Inhibitor QR-6401 by Generative Models and Structure-Based Drug Design.
Acs Med.Chem.Lett., 14, 2023
5WXC
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BU of 5wxc by Molmil
Crystal Structure of HLA-A*2402 in complex with avian influenza A(H7N9) virus-derived peptide H7-25 (data set 2)
分子名称: Beta-2-microglobulin, H7-25-F, HLA class I histocompatibility antigen, ...
著者Zhao, M, Liu, K, Chai, Y, Qi, J, Liu, J, Gao, G.F.
登録日2017-01-07
公開日2018-01-17
最終更新日2019-07-31
実験手法X-RAY DIFFRACTION (2.295 Å)
主引用文献Heterosubtypic Protections against Human-Infecting Avian Influenza Viruses Correlate to Biased Cross-T-Cell Responses.
Mbio, 9, 2018
6NQ8
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BU of 6nq8 by Molmil
Crystal structure of YetJ mutant from Bacillus Subtilis - D171E
分子名称: Uncharacterized protein YetJ
著者Guo, G, Chang, Y, Liu, Q.
登録日2019-01-19
公開日2019-04-17
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Ion and pH Sensitivity of a TMBIM Ca2+Channel.
Structure, 27, 2019
6NQ9
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BU of 6nq9 by Molmil
Crystal structure of YetJ mutant from Bacillus Subtilis - D195E
分子名称: Uncharacterized protein YetJ
著者Guo, G, Chang, Y, Liu, Q.
登録日2019-01-19
公開日2019-04-17
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Ion and pH Sensitivity of a TMBIM Ca2+Channel.
Structure, 27, 2019
5WWU
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BU of 5wwu by Molmil
Crystal Structure of HLA-A*2402 in complex with 2009 pandemic influenza A(H1N1) virus and avian influenza A(H5N1) virus-derived peptide H1-25
分子名称: Beta-2-microglobulin, HLA class I histocompatibility antigen, A-24 alpha chain, ...
著者Zhao, M, Liu, K, Chai, Y, Qi, J, Liu, J, Gao, G.F.
登録日2017-01-05
公開日2018-01-17
最終更新日2019-07-31
実験手法X-RAY DIFFRACTION (2.794 Å)
主引用文献Heterosubtypic Protections against Human-Infecting Avian Influenza Viruses Correlate to Biased Cross-T-Cell Responses.
Mbio, 9, 2018
6NQ7
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BU of 6nq7 by Molmil
Crystal structure of YetJ from Bacillus Subtilis crystallized in lipidic cubic phase
分子名称: GADOLINIUM ATOM, Uncharacterized protein YetJ
著者Guo, G, Chang, Y, Liu, Q.
登録日2019-01-19
公開日2019-04-17
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Ion and pH Sensitivity of a TMBIM Ca2+Channel.
Structure, 27, 2019
7XF3
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BU of 7xf3 by Molmil
The structure of HLA-B*1501/BM58-66AF9
分子名称: 9-mer peptide from Matrix protein 1, Beta-2-microglobulin, MHC class I antigen
著者Zhao, Y.Z, Xiao, W.L, Wu, Y.N, Fan, W.F, Yue, C, Zhang, Q.X, Zhang, D.N, Yuan, X.J, Yao, S.J, Liu, S, Li, M, Wang, P.Y, Zhang, H.J, Zhang, J, Zhao, M, Zheng, X.Q, Liu, W.J, Gao, G.F, Liu, W.L.
登録日2022-03-31
公開日2023-02-08
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献Parallel T Cell Immunogenic Regions in Influenza B and A Viruses with Distinct Nuclear Export Signal Functions: The Balance between Viral Life Cycle and Immune Escape.
J Immunol., 210, 2023
5WXD
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BU of 5wxd by Molmil
Crystal Structure of HLA-A*2402 in complex with avian influenza A(H7N9) virus-derived peptide H7-25 (data set 1)
分子名称: Beta-2-microglobulin, H7-25, HLA class I histocompatibility antigen, ...
著者Zhao, M, Liu, K, Chai, Y, Qi, J, Liu, J, Gao, G.F.
登録日2017-01-07
公開日2018-01-17
最終更新日2019-07-31
実験手法X-RAY DIFFRACTION (3.295 Å)
主引用文献Heterosubtypic Protections against Human-Infecting Avian Influenza Viruses Correlate to Biased Cross-T-Cell Responses.
Mbio, 9, 2018
7JQ2
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BU of 7jq2 by Molmil
Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI5
分子名称: 3C-like proteinase, N-[(benzyloxy)carbonyl]-L-valyl-3-cyclohexyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-alaninamide
著者Yang, K, Liu, W.
登録日2020-08-10
公開日2020-12-23
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献A Quick Route to Multiple Highly Potent SARS-CoV-2 Main Protease Inhibitors*.
Chemmedchem, 16, 2021
7JPZ
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BU of 7jpz by Molmil
Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI1
分子名称: (phenylmethyl) N-[(2S)-1-oxidanylidene-1-[[(2S)-1-oxidanyl-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-3-phenyl-propan-2-yl]carbamate, 3C-like proteinase
著者Yang, K, Liu, W.
登録日2020-08-10
公開日2020-12-23
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献A Quick Route to Multiple Highly Potent SARS-CoV-2 Main Protease Inhibitors*.
Chemmedchem, 16, 2021
7JQ5
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BU of 7jq5 by Molmil
Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI8
分子名称: 3C-like proteinase, N-[(BENZYLOXY)CARBONYL]-O-(TERT-BUTYL)-L-THREONYL-3-CYCLOHEXYL-N-[(1S)-2-HYDROXY-1-{[(3S)-2-OXOPYRROLIDIN-3-YL]METHYL}ETHYL]-L-ALANINAMIDE
著者Yang, K, Liu, W.
登録日2020-08-10
公開日2020-12-23
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献A Quick Route to Multiple Highly Potent SARS-CoV-2 Main Protease Inhibitors*.
Chemmedchem, 16, 2021
7JQ3
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BU of 7jq3 by Molmil
Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI6
分子名称: 3C-like proteinase, N-[(benzyloxy)carbonyl]-O-tert-butyl-L-threonyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide
著者Yang, K, Liu, W.
登録日2020-08-10
公開日2020-12-23
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献A Quick Route to Multiple Highly Potent SARS-CoV-2 Main Protease Inhibitors*.
Chemmedchem, 16, 2021
7JPY
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BU of 7jpy by Molmil
Crystal structure of the SARS-CoV-2 main protease in its apo-form
分子名称: 3C-like proteinase
著者Yang, K, Liu, W.
登録日2020-08-10
公開日2020-12-23
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献A Quick Route to Multiple Highly Potent SARS-CoV-2 Main Protease Inhibitors*.
Chemmedchem, 16, 2021
7JQ4
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BU of 7jq4 by Molmil
Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI7
分子名称: 3C-like proteinase, N-[(benzyloxy)carbonyl]-O-tert-butyl-L-threonyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-phenylalaninamide
著者Yang, K, Liu, W.
登録日2020-08-10
公開日2020-12-23
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献A Quick Route to Multiple Highly Potent SARS-CoV-2 Main Protease Inhibitors*.
Chemmedchem, 16, 2021
7JQ0
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BU of 7jq0 by Molmil
Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI3
分子名称: 3C-like proteinase, N-[(benzyloxy)carbonyl]-L-valyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide
著者Yang, K, Liu, W.
登録日2020-08-10
公開日2020-12-23
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献A Quick Route to Multiple Highly Potent SARS-CoV-2 Main Protease Inhibitors*.
Chemmedchem, 16, 2021
7JQ1
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BU of 7jq1 by Molmil
Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI4
分子名称: 3C-like proteinase, N-[(benzyloxy)carbonyl]-L-valyl-N-{(2S)-1-hydroxy-3-[(3R)-2-oxo-3,4-dihydro-2H-pyrrol-3-yl]propan-2-yl}-L-phenylalaninamide
著者Yang, K, Liu, W.
登録日2020-08-10
公開日2020-12-23
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献A Quick Route to Multiple Highly Potent SARS-CoV-2 Main Protease Inhibitors*.
Chemmedchem, 16, 2021
6ITG
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BU of 6itg by Molmil
a new alginate lyase (PL6) from Vibrio splendidus OU02
分子名称: Alginate lyase, GLYCEROL, MALONATE ION
著者Liu, W.Z, Lyu, Q.Q.
登録日2018-11-23
公開日2019-05-01
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献Structural insights into a novel Ca2+-independent PL-6 alginate lyase from Vibrio OU02 identify the possible subsites responsible for product distribution.
Biochim Biophys Acta Gen Subj, 1863, 2019
8H41
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BU of 8h41 by Molmil
Crystal structure of a decarboxylase from Trichosporon moniliiforme in complex with o-nitrophenol
分子名称: MAGNESIUM ION, O-NITROPHENOL, Salicylate decarboxylase
著者Gao, J, Zhao, Y.P, Li, Q, Liu, W.D, Sheng, X.
登録日2022-10-09
公開日2023-08-16
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献A Combined Computational-Experimental Study on the Substrate Binding and Reaction Mechanism of Salicylic Acid Decarboxylase
Catalysts, 12, 2022
6KA2
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BU of 6ka2 by Molmil
Crystal structure of a Thebaine synthase from Papaver somniferum in complex with TBN
分子名称: (4R,7aR,12bS)-7,9-dimethoxy-3-methyl-2,4,7a,13-tetrahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline, Thebaine synthase 2
著者Xue, J, Yu, X.J, Huang, J.W, Liu, W.D, Chen, C.C, Guo, R.T.
登録日2019-06-20
公開日2020-06-24
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Structural insights into thebaine synthase 2 catalysis.
Biochem.Biophys.Res.Commun., 529, 2020
6KA3
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BU of 6ka3 by Molmil
Crystal structure of a Thebaine synthase from Papaver somniferum
分子名称: PALMITIC ACID, SULFATE ION, Thebaine synthase 2
著者Xue, J, Yu, X.J, Huang, J.W, Liu, W.D, Chen, C.C, Guo, R.T.
登録日2019-06-20
公開日2020-06-24
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.951 Å)
主引用文献Structural insights into thebaine synthase 2 catalysis.
Biochem.Biophys.Res.Commun., 529, 2020
8W88
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BU of 8w88 by Molmil
Cryo-EM structure of the SEP363856-bound TAAR1-Gs complex
分子名称: 1-[(7~{S})-5,7-dihydro-4~{H}-thieno[2,3-c]pyran-7-yl]-~{N}-methyl-methanamine, CHOLESTEROL, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
著者Liu, H, Zheng, Y, Wang, Y, Wang, Y, He, X, Xu, P, Huang, S, Yuan, Q, Zhang, X, Wang, S, Xu, H.E, Xu, F.
登録日2023-09-01
公開日2023-11-22
最終更新日2024-01-03
実験手法ELECTRON MICROSCOPY (2.6 Å)
主引用文献Recognition of methamphetamine and other amines by trace amine receptor TAAR1.
Nature, 624, 2023

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