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7BAJ
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BU of 7baj by Molmil
Crystal structure of ligand-free SARS-CoV-2 main protease
Descriptor: Main Protease
Authors:Amporndanai, K, O'Neill, P.M, Hasnain, S.S.
Deposit date:2020-12-15
Release date:2021-06-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.65 Å)
Cite: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
Descriptor: Main Protease, SELENIUM ATOM
Authors:Amporndanai, K, O'Neill, P.M, Hasnain, S.S.
Deposit date:2020-12-15
Release date:2021-06-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.05 Å)
Cite: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
Descriptor: Main Protease, SELENIUM ATOM
Authors:Amporndanai, K, O'Neill, P.M, Hasnain, S.S.
Deposit date:2020-12-15
Release date:2021-06-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.85 Å)
Cite: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
Descriptor: AcvX
Authors:Tan, B, Zhang, L.P, Zhang, C.S.
Deposit date:2022-06-14
Release date:2023-05-24
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.8 Å)
Cite: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
Descriptor: ALUMINUM FLUORIDE, GUANOSINE-5'-DIPHOSPHATE, Guanylate-binding protein 5, ...
Authors:Cui, W, Yang, H.T.
Deposit date:2020-07-16
Release date:2021-05-05
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.284 Å)
Cite: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
Descriptor: (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
Authors: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.
Deposit date:2013-08-21
Release date:2014-04-02
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.56 Å)
Cite: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
Descriptor: 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, ...
Authors: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.
Deposit date:2013-08-21
Release date:2014-04-02
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.31 Å)
Cite: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
Descriptor: ACETATE ION, Methyltransferase domain-containing protein, S-ADENOSYL-L-HOMOCYSTEINE
Authors:Qiu, S, Xu, D, Han, N, Sun, B, Ran, T, Wang, W.
Deposit date:2020-07-20
Release date:2021-07-28
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.982 Å)
Cite: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
Descriptor: ACETATE ION, GLYCEROL, Methyltransferase domain-containing protein
Authors:Qiu, S, Xu, D, Han, N, Sun, B, Ran, T, Wang, W.
Deposit date:2020-07-22
Release date:2021-07-28
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.9 Å)
Cite: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
Descriptor: Sordarin/hypoxysordarin biosynthesis cluster protein G
Authors:Zhang, B, Ge, H.M.
Deposit date:2022-05-14
Release date:2022-12-28
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.7 Å)
Cite: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
Descriptor: (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
Authors: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.
Deposit date:2013-08-21
Release date:2014-04-02
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.39 Å)
Cite: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
Descriptor: ATP-binding cassette sub-family B member 6, mitochondrial
Authors:Zhang, S.S.
Deposit date:2021-04-05
Release date:2021-08-25
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite: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
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, ATP-binding cassette sub-family B member 6, MAGNESIUM ION
Authors:Zhang, S.S.
Deposit date:2021-04-05
Release date:2021-08-25
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite: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)
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, CAFFEINE, CALCIUM ION, ...
Authors:Gong, D.S, Chi, X.M, Zhou, G.W, Huang, G.X.Y, Lei, J.L, Yan, N.
Deposit date:2019-02-23
Release date:2019-07-17
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (4.2 Å)
Cite: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)
Descriptor: Calmodulin-1, Peptidyl-prolyl cis-trans isomerase FKBP1B, RyR2, ...
Authors:Gong, D.S, Chi, X.M, Zhou, G.W, Huang, G.X.Y, Lei, J.L, Yan, N.
Deposit date:2019-02-20
Release date:2019-07-17
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite: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)
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, CAFFEINE, CALCIUM ION, ...
Authors:Gong, D.S, Chi, X.M, Zhou, G.W, Huang, G.X.Y, Lei, J.L, Yan, N.
Deposit date:2019-02-19
Release date:2019-07-17
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (4.2 Å)
Cite: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
Descriptor: 02J-ALA-VAL-LEU-PJE-010, Replicative polyprotein 1ab
Authors:Cui, W, Cui, S.S.
Deposit date:2019-02-21
Release date:2019-04-24
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.65 Å)
Cite: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)
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, CAFFEINE, CALCIUM ION, ...
Authors:Gong, D.S, Chi, X.M, Zhou, G.W, Huang, G.X.Y, Lei, J.L, Yan, N.
Deposit date:2019-02-24
Release date:2019-07-17
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite: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)
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, CAFFEINE, CALCIUM ION, ...
Authors:Gong, D.S, Chi, X.M, Zhou, G.W, Huang, G.X.Y, Lei, J.L, Yan, N.
Deposit date:2019-04-05
Release date:2019-07-17
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite: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
Descriptor: Transcriptional regulator WhiB4
Authors:Xia, B, Duan, B.
Deposit date:2021-06-30
Release date:2021-11-10
Last modified:2024-05-15
Method:SOLUTION NMR
Cite: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
Descriptor: 1,2-ETHANEDIOL, Beta sliding clamp, DI(HYDROXYETHYL)ETHER, ...
Authors:Jiang, X, Teng, M, Li, X.
Deposit date:2019-02-23
Release date:2019-11-27
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.95 Å)
Cite: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
Descriptor: ABC transporter periplasmic-binding protein YtfQ, ZINC ION
Authors:Li, M, Mueller, C, Einsle, O, Jessen-Trefzer, C.
Deposit date:2018-08-09
Release date:2019-05-01
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.9 Å)
Cite: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
Descriptor: 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, ...
Authors:Larson, E.T, Merritt, E.A.
Deposit date:2011-07-14
Release date:2012-03-14
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.04 Å)
Cite: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
Descriptor: ABC transporter periplasmic-binding protein YtfQ, ZINC ION, beta-D-galactofuranose
Authors:Li, M, Mueller, C, Einsle, O, Jessen-Trefzer, C.
Deposit date:2018-08-10
Release date:2019-05-01
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.44 Å)
Cite: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
Descriptor: ABC transporter periplasmic-binding protein YtfQ, ZINC ION, alpha-L-arabinofuranose
Authors:Li, M, Mueller, C, Einsle, O, Jessen-Trefzer, C.
Deposit date:2018-08-10
Release date:2019-05-01
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.76 Å)
Cite: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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