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7BAJ
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BU of 7baj by Molmil
Crystal structure of ligand-free SARS-CoV-2 main protease
分子名称: Main Protease
著者Amporndanai, K, O'Neill, P.M, Hasnain, S.S.
登録日2020-12-15
公開日2021-06-02
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Inhibition mechanism of SARS-CoV-2 main protease by ebselen and its derivatives.
Nat Commun, 12, 2021
7BAK
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BU of 7bak by Molmil
Crystal structure of SARS-CoV-2 main protease treated with ebselen
分子名称: Main Protease, SELENIUM ATOM
著者Amporndanai, K, O'Neill, P.M, Hasnain, S.S.
登録日2020-12-15
公開日2021-06-02
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Inhibition mechanism of SARS-CoV-2 main protease by ebselen and its derivatives.
Nat Commun, 12, 2021
7BAL
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BU of 7bal by Molmil
Crystal structure of SARS-CoV-2 main protease treated with ebselen derivative of MR6-31-2
分子名称: Main Protease, SELENIUM ATOM
著者Amporndanai, K, O'Neill, P.M, Hasnain, S.S.
登録日2020-12-15
公開日2021-06-02
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Inhibition mechanism of SARS-CoV-2 main protease by ebselen and its derivatives.
Nat Commun, 12, 2021
7Y4H
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BU of 7y4h by Molmil
AcvX from Actinomadura viridis that exhibits deglycosylation activity on lobophorins
分子名称: AcvX
著者Tan, B, Zhang, L.P, Zhang, C.S.
登録日2022-06-14
公開日2023-05-24
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献A Widespread Glycosidase Confers Lobophorin Resistance and Host-Dependent Structural Diversity.
Angew.Chem.Int.Ed.Engl., 62, 2023
7CKF
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BU of 7ckf by Molmil
The N-terminus of interferon-inducible antiviral protein-dimer
分子名称: ALUMINUM FLUORIDE, GUANOSINE-5'-DIPHOSPHATE, Guanylate-binding protein 5, ...
著者Cui, W, Yang, H.T.
登録日2020-07-16
公開日2021-05-05
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.284 Å)
主引用文献Structural basis for GTP-induced dimerization and antiviral function of guanylate-binding proteins.
Proc.Natl.Acad.Sci.USA, 118, 2021
4MC2
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BU of 4mc2 by Molmil
HIV protease in complex with SA525P
分子名称: (3S)-tetrahydrofuran-3-yl {(2S,3R)-4-[(4R)-4-tert-butyl-7-fluoro-1,1-dioxido-4,5-dihydro-1,2-benzothiazepin-2(3H)-yl]-3-hydroxy-1-phenylbutan-2-yl}carbamate, CHLORIDE ION, Protease
著者Ganguly, A.K, Alluri, S.S, Wang, C, Caroccia, D, Biswas, D, Kang, E, Zhang, L, Carroll, S.S, Burlein, C, Munshi, V, Orth, P, Strickland, C.
登録日2013-08-21
公開日2014-04-02
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.56 Å)
主引用文献Structural Optimization of Cyclic Sulfonamide based Novel HIV-1 Protease Inhibitors to Pico Molar Affinities guided by X-ray Crystallographic Analysis
Tetrahedron, 2014
4MC6
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BU of 4mc6 by Molmil
HIV protease in complex with SA499
分子名称: 1,2-ETHANEDIOL, 1-tert-butyl-3-{(2S,3R)-4-[(4R)-7-fluoro-1,1-dioxido-4-(propan-2-yl)-4,5-dihydro-1,2-benzothiazepin-2(3H)-yl]-3-hydroxy-1-phenylbutan-2-yl}urea, CHLORIDE ION, ...
著者Ganguly, A.K, Alluri, S.S, Wang, C, Antropow, A, White, A, Caroccia, D, Biswas, D, Kang, E, Zhang, L, Carroll, S.S, Burlein, C, Munshi, V, Orth, P, Strickland, C.
登録日2013-08-21
公開日2014-04-02
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.31 Å)
主引用文献Structural Optimization of Cyclic Sulfonamide based Novel HIV-1 Protease Inhibitors to Pico Molar Affinities guided by X-ray Crystallographic Analysis
Tetrahedron, 2014
7CLF
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BU of 7clf by Molmil
PigF with SAH
分子名称: ACETATE ION, Methyltransferase domain-containing protein, S-ADENOSYL-L-HOMOCYSTEINE
著者Qiu, S, Xu, D, Han, N, Sun, B, Ran, T, Wang, W.
登録日2020-07-20
公開日2021-07-28
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (1.982 Å)
主引用文献Crystal structures of PigF, an O-methyltransferase involved in the prodigiosin synthetic pathway, reveal an induced-fit substrate-recognition mechanism.
Iucrj, 9, 2022
7CLU
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BU of 7clu by Molmil
PigF with SAH
分子名称: ACETATE ION, GLYCEROL, Methyltransferase domain-containing protein
著者Qiu, S, Xu, D, Han, N, Sun, B, Ran, T, Wang, W.
登録日2020-07-22
公開日2021-07-28
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structures of PigF, an O-methyltransferase involved in the prodigiosin synthetic pathway, reveal an induced-fit substrate-recognition mechanism.
Iucrj, 9, 2022
7XSI
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BU of 7xsi by Molmil
SdnG, a Diels Alderase catalyzed the formation of norbornene skeleton in Sordarin biosynthetic pathway
分子名称: Sordarin/hypoxysordarin biosynthesis cluster protein G
著者Zhang, B, Ge, H.M.
登録日2022-05-14
公開日2022-12-28
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Biosynthesis of Sordarin Revealing a Diels-Alderase for the Formation of the Norbornene Skeleton.
Angew.Chem.Int.Ed.Engl., 61, 2022
4MC1
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BU of 4mc1 by Molmil
HIV protease in complex with SA526P
分子名称: (3S)-tetrahydrofuran-3-yl {(2S,3R)-4-[(4S)-4-tert-butyl-7-fluoro-1,1-dioxido-4,5-dihydro-1,2-benzothiazepin-2(3H)-yl]-3-hydroxy-1-phenylbutan-2-yl}carbamate, CHLORIDE ION, Protease
著者Ganguly, A.K, Alluri, S.S, Wang, C, Antropow, A, White, A, Caroccia, D, Biswas, D, Kang, E, Zhang, L, Carroll, S.S, Burlein, C, Munshi, V, Orth, P, Strickland, C.
登録日2013-08-21
公開日2014-04-02
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.39 Å)
主引用文献Structural Optimization of Cyclic Sulfonamide based Novel HIV-1 Protease Inhibitors to Pico Molar Affinities guided by X-ray Crystallographic Analysis
Tetrahedron, 2014
7EKM
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BU of 7ekm by Molmil
Mitochondrial outer membrane protein
分子名称: ATP-binding cassette sub-family B member 6, mitochondrial
著者Zhang, S.S.
登録日2021-04-05
公開日2021-08-25
最終更新日2024-06-05
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Molecular insights into the human ABCB6 transporter.
Cell Discov, 7, 2021
7EKL
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BU of 7ekl by Molmil
Mitochondrial outer membrane protein
分子名称: ADENOSINE-5'-TRIPHOSPHATE, ATP-binding cassette sub-family B member 6, MAGNESIUM ION
著者Zhang, S.S.
登録日2021-04-05
公開日2021-08-25
最終更新日2024-06-05
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Molecular insights into the human ABCB6 transporter.
Cell Discov, 7, 2021
6JIU
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BU of 6jiu by Molmil
Structure of RyR2 (F/A/C/L-Ca2+/Ca2+CaM dataset)
分子名称: ADENOSINE-5'-TRIPHOSPHATE, CAFFEINE, CALCIUM ION, ...
著者Gong, D.S, Chi, X.M, Zhou, G.W, Huang, G.X.Y, Lei, J.L, Yan, N.
登録日2019-02-23
公開日2019-07-17
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (4.2 Å)
主引用文献Modulation of cardiac ryanodine receptor 2 by calmodulin.
Nature, 572, 2019
6JI8
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BU of 6ji8 by Molmil
Structure of RyR2 (F/apoCaM dataset)
分子名称: Calmodulin-1, Peptidyl-prolyl cis-trans isomerase FKBP1B, RyR2, ...
著者Gong, D.S, Chi, X.M, Zhou, G.W, Huang, G.X.Y, Lei, J.L, Yan, N.
登録日2019-02-20
公開日2019-07-17
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Modulation of cardiac ryanodine receptor 2 by calmodulin.
Nature, 572, 2019
6JI0
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BU of 6ji0 by Molmil
Structure of RyR2 (F/A/C/Ca2+ dataset)
分子名称: ADENOSINE-5'-TRIPHOSPHATE, CAFFEINE, CALCIUM ION, ...
著者Gong, D.S, Chi, X.M, Zhou, G.W, Huang, G.X.Y, Lei, J.L, Yan, N.
登録日2019-02-19
公開日2019-07-17
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (4.2 Å)
主引用文献Modulation of cardiac ryanodine receptor 2 by calmodulin.
Nature, 572, 2019
6JIJ
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BU of 6jij by Molmil
The Crystal Structure of Main Protease from Mouse Hepatitis Virus A59 in Complex with an inhibitor
分子名称: 02J-ALA-VAL-LEU-PJE-010, Replicative polyprotein 1ab
著者Cui, W, Cui, S.S.
登録日2019-02-21
公開日2019-04-24
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献The crystal structure of main protease from mouse hepatitis virus A59 in complex with an inhibitor.
Biochem. Biophys. Res. Commun., 511, 2019
6JIY
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BU of 6jiy by Molmil
Structure of RyR2 (F/A/C/H-Ca2+/Ca2+CaM dataset)
分子名称: ADENOSINE-5'-TRIPHOSPHATE, CAFFEINE, CALCIUM ION, ...
著者Gong, D.S, Chi, X.M, Zhou, G.W, Huang, G.X.Y, Lei, J.L, Yan, N.
登録日2019-02-24
公開日2019-07-17
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Modulation of cardiac ryanodine receptor 2 by calmodulin.
Nature, 572, 2019
6JRS
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BU of 6jrs by Molmil
Structure of RyR2 (*F/A/C/L-Ca2+/Ca2+-CaM dataset)
分子名称: ADENOSINE-5'-TRIPHOSPHATE, CAFFEINE, CALCIUM ION, ...
著者Gong, D.S, Chi, X.M, Zhou, G.W, Huang, G.X.Y, Lei, J.L, Yan, N.
登録日2019-04-05
公開日2019-07-17
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献Modulation of cardiac ryanodine receptor 2 by calmodulin.
Nature, 572, 2019
7F7N
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BU of 7f7n by Molmil
Solution structure of apo-WhiB4 from Mycobacterium tuberculosis
分子名称: Transcriptional regulator WhiB4
著者Xia, B, Duan, B.
登録日2021-06-30
公開日2021-11-10
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献DNA binding mechanism of WhiB4 from Mycobacterium tuberculosis
Magn Reson Lett, 2, 2022
6JIR
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BU of 6jir by Molmil
Crystal structure of C. crescentus beta sliding clamp with PEG bound to putative beta-motif tethering region
分子名称: 1,2-ETHANEDIOL, Beta sliding clamp, DI(HYDROXYETHYL)ETHER, ...
著者Jiang, X, Teng, M, Li, X.
登録日2019-02-23
公開日2019-11-27
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Caulobacter crescentus beta sliding clamp employs a noncanonical regulatory model of DNA replication.
Febs J., 287, 2020
6HB0
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BU of 6hb0 by Molmil
Crystal structure of MSMEG_1712 from Mycobacterium smegmatis
分子名称: ABC transporter periplasmic-binding protein YtfQ, ZINC ION
著者Li, M, Mueller, C, Einsle, O, Jessen-Trefzer, C.
登録日2018-08-09
公開日2019-05-01
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Detection and Characterization of a Mycobacterial L-Arabinofuranose ABC Transporter Identified with a Rapid Lipoproteomics Protocol.
Cell Chem Biol, 26, 2019
3SXF
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BU of 3sxf by Molmil
Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with Bumped Kinase Inhibitor, RM-1-89
分子名称: 1,2-ETHANEDIOL, 3-(6-ethoxynaphthalen-2-yl)-1-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Calmodulin-domain protein kinase 1, ...
著者Larson, E.T, Merritt, E.A.
登録日2011-07-14
公開日2012-03-14
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.04 Å)
主引用文献Multiple determinants for selective inhibition of apicomplexan calcium-dependent protein kinase CDPK1.
J.Med.Chem., 55, 2012
6HBD
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BU of 6hbd by Molmil
Crystal structure of MSMEG_1712 from Mycobacterium smegmatis in complex with Beta-D-Galactofuranose
分子名称: ABC transporter periplasmic-binding protein YtfQ, ZINC ION, beta-D-galactofuranose
著者Li, M, Mueller, C, Einsle, O, Jessen-Trefzer, C.
登録日2018-08-10
公開日2019-05-01
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.44 Å)
主引用文献Detection and Characterization of a Mycobacterial L-Arabinofuranose ABC Transporter Identified with a Rapid Lipoproteomics Protocol.
Cell Chem Biol, 26, 2019
6HBM
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BU of 6hbm by Molmil
Crystal structure of MSMEG_1712 from Mycobacterium smegmatis in complex with alpha-L-arabinofuranose
分子名称: ABC transporter periplasmic-binding protein YtfQ, ZINC ION, alpha-L-arabinofuranose
著者Li, M, Mueller, C, Einsle, O, Jessen-Trefzer, C.
登録日2018-08-10
公開日2019-05-01
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.76 Å)
主引用文献Detection and Characterization of a Mycobacterial L-Arabinofuranose ABC Transporter Identified with a Rapid Lipoproteomics Protocol.
Cell Chem Biol, 26, 2019

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