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5ZR4
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Manganese-dependent transcriptional repressor
分子名称: Metal-dependent transcriptional regulator
著者Cong, X.Y, Gu, L.C, Wang, J.B.
登録日2018-04-23
公開日2019-01-23
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Crystal structures of manganese-dependent transcriptional repressor MntR (Rv2788) from Mycobacterium tuberculosis in apo and manganese bound forms.
Biochem. Biophys. Res. Commun., 501, 2018
5H5Z
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BU of 5h5z by Molmil
Crystal structure of bony fish MHC class I, peptide and B2m II
分子名称: Beta-2-microglobulin, MHC class I antigen, peptide chain
著者Chen, Z, Zhang, N, Qi, J, Li, X, Chen, R, Wang, Z, Gao, F.G, Xia, C.
登録日2016-11-10
公開日2017-11-22
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献The Mechanism of beta 2m Molecule-Induced Changes in the Peptide Presentation Profile in a Bony Fish.
Iscience, 23, 2020
5W2P
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BU of 5w2p by Molmil
Crystal structure of Mycobacterium tuberculosis KasA in complex with 6U5
分子名称: 3,3',3''-phosphanetriyltripropanoic acid, 3-oxoacyl-[acyl-carrier-protein] synthase 1, GLYCEROL, ...
著者Capodagli, G.C, Neiditch, M.B.
登録日2017-06-06
公開日2018-12-05
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Synergistic Lethality of a Binary Inhibitor of Mycobacterium tuberculosis KasA.
MBio, 9, 2018
7EAX
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BU of 7eax by Molmil
Crystal complex of p53-V272M and antimony ion
分子名称: ANTIMONY (III) ION, Cellular tumor antigen p53, ZINC ION
著者Lu, M, Tang, Y.
登録日2021-03-08
公開日2022-02-16
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Repurposing antiparasitic antimonials to noncovalently rescue temperature-sensitive p53 mutations.
Cell Rep, 39, 2022
7M9F
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BU of 7m9f by Molmil
Structure of the wild-type native full-length HIV-1 capsid protein in complex with ZW-1261
分子名称: HIV-1 capsid protein, IODIDE ION, N-(4-chlorophenyl)-Nalpha-[(5-hydroxy-1H-indol-3-yl)acetyl]-N-methyl-L-phenylalaninamide
著者Kirby, K.A, Sarafianos, S.G.
登録日2021-03-31
公開日2022-04-06
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Molecular Dynamics Free Energy Simulations Reveal the Mechanism for the Antiviral Resistance of the M66I HIV-1 Capsid Mutation.
Viruses, 13, 2021
7XST
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BU of 7xst by Molmil
Cryo-EM structure of SARS-CoV-2 Omicron spike glycoprotein in complex with three F61 Fab and three D2 Fab
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, D2 heavy chain, D2 light chain, ...
著者Wang, X, Li, X.
登録日2022-05-15
公開日2022-11-23
実験手法ELECTRON MICROSCOPY (3.04 Å)
主引用文献Structural basis of a two-antibody cocktail exhibiting highly potent and broadly neutralizing activities against SARS-CoV-2 variants including diverse Omicron sublineages.
Cell Discov, 8, 2022
5W2Q
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BU of 5w2q by Molmil
Crystal structure of Mycobacterium tuberculosis KasA in complex with 6U5
分子名称: 3,3',3''-phosphanetriyltripropanoic acid, 3-oxoacyl-[acyl-carrier-protein] synthase 1, GLYCEROL, ...
著者Capodagli, G.C, Neiditch, M.B.
登録日2017-06-06
公開日2018-12-05
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Synergistic Lethality of a Binary Inhibitor of Mycobacterium tuberculosis KasA.
MBio, 9, 2018
4L8C
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BU of 4l8c by Molmil
Crystal structure of the H2Db in complex with the NP-N3D peptide
分子名称: Beta-2-microglobulin, H-2 class I histocompatibility antigen, D-B alpha chain, ...
著者Rossjohn, J, Gras, S.
登録日2013-06-16
公開日2013-10-16
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Acute emergence and reversion of influenza A virus quasispecies within CD8(+) T cell antigenic peptides.
Nat Commun, 4, 2013
8FE8
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BU of 8fe8 by Molmil
Crystal Structure of HIV-1 RT in Complex with the non-nucleoside inhibitor 18b1
分子名称: 1,2-ETHANEDIOL, 5-[(4-{4-[(E)-2-cyanoethenyl]-2,6-dimethylphenoxy}pyrimidin-2-yl)amino]-2-[4-(methanesulfonyl)piperazin-1-yl]benzonitrile, Reverse transcriptase p51, ...
著者Rumrill, S, Ruiz, F.X, Arnold, E.
登録日2022-12-05
公開日2023-10-18
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Discovery of diarylpyrimidine derivatives bearing piperazine sulfonyl as potent HIV-1 nonnucleoside reverse transcriptase inhibitors.
Commun Chem, 6, 2023
6J8R
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BU of 6j8r by Molmil
Metallo-Beta-Lactamase VIM-2 in complex with Dual MBL/SBL Inhibitor MS01
分子名称: Beta-lactamase class B VIM-2, FORMIC ACID, GLYCEROL, ...
著者Li, G.-B, Liu, S.
登録日2019-01-21
公開日2019-07-17
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.575 Å)
主引用文献Structure-Based Development of (1-(3'-Mercaptopropanamido)methyl)boronic Acid Derived Broad-Spectrum, Dual-Action Inhibitors of Metallo- and Serine-beta-lactamases.
J.Med.Chem., 62, 2019
6J8Q
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Serine Beta-Lactamase KPC-2 in Complex with Dual MBL/SBL Inhibitor WL-001
分子名称: ACETIC ACID, DI(HYDROXYETHYL)ETHER, SULFATE ION, ...
著者Li, G.-B, Liu, S.
登録日2019-01-21
公開日2019-07-17
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.787 Å)
主引用文献Structure-Based Development of (1-(3'-Mercaptopropanamido)methyl)boronic Acid Derived Broad-Spectrum, Dual-Action Inhibitors of Metallo- and Serine-beta-lactamases.
J.Med.Chem., 62, 2019
6JN4
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BU of 6jn4 by Molmil
Serine Beta-Lactamase KPC-2 in Complex with Dual MBL/SBL Inhibitor WL-001
分子名称: ACETATE ION, ACETIC ACID, DI(HYDROXYETHYL)ETHER, ...
著者Li, G.-B, Liu, S.
登録日2019-03-13
公開日2019-07-17
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure-Based Development of (1-(3'-Mercaptopropanamido)methyl)boronic Acid Derived Broad-Spectrum, Dual-Action Inhibitors of Metallo- and Serine-beta-lactamases.
J.Med.Chem., 62, 2019
6JN5
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Serine Beta-Lactamase KPC-2 in Complex with Dual MBL/SBL Inhibitor MS23
分子名称: Serine Beta-Lactamase KPC-2, [(S)-(4-fluorophenyl)-[[(2S)-2-methyl-3-sulfanyl-propanoyl]amino]methyl]boronic acid
著者Li, G.-B, Liu, S.
登録日2019-03-13
公開日2019-07-17
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Structure-Based Development of (1-(3'-Mercaptopropanamido)methyl)boronic Acid Derived Broad-Spectrum, Dual-Action Inhibitors of Metallo- and Serine-beta-lactamases.
J.Med.Chem., 62, 2019
6JN3
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Serine Beta-Lactamase KPC-2 in Complex with Dual MBL/SBL Inhibitor MS05
分子名称: ACETIC ACID, DI(HYDROXYETHYL)ETHER, Serine Beta-Lactamase KPC-2, ...
著者Li, G.-B, Liu, S.
登録日2019-03-13
公開日2019-07-17
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.216 Å)
主引用文献Structure-Based Development of (1-(3'-Mercaptopropanamido)methyl)boronic Acid Derived Broad-Spectrum, Dual-Action Inhibitors of Metallo- and Serine-beta-lactamases.
J.Med.Chem., 62, 2019
6JN6
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BU of 6jn6 by Molmil
Metallo-Beta-Lactamase VIM-2 in complex with Dual MBL/SBL Inhibitor MS19
分子名称: Beta-lactamase class B VIM-2, FORMIC ACID, ZINC ION, ...
著者Li, G.-B, Liu, S.
登録日2019-03-13
公開日2019-07-17
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.602 Å)
主引用文献Structure-Based Development of (1-(3'-Mercaptopropanamido)methyl)boronic Acid Derived Broad-Spectrum, Dual-Action Inhibitors of Metallo- and Serine-beta-lactamases.
J.Med.Chem., 62, 2019
8HI5
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BU of 8hi5 by Molmil
Crystal structure of the NADP+ and MSA bound C terminal domain of bi-functional malonyl-CoA reductase from Roseiflexus castenholzii
分子名称: 3-oxidanylidenepropanoic acid, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Short-chain dehydrogenase/reductase SDR
著者Zhang, X, Wu, W.P, Xu, X.
登録日2022-11-18
公開日2023-05-31
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural basis of a bi-functional malonyl-CoA reductase (MCR) from the photosynthetic green non-sulfur bacterium Roseiflexus castenholzii.
Mbio, 14, 2023
8HI4
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BU of 8hi4 by Molmil
Cryo-EM structure of the bi-functional malonyl-CoA reductase from Roseiflexus castenholzii
分子名称: Short-chain dehydrogenase/reductase SDR
著者Zhang, X, Xu, X, Xin, J.
登録日2022-11-18
公開日2023-05-31
最終更新日2023-09-20
実験手法ELECTRON MICROSCOPY (3.35 Å)
主引用文献Structural basis of a bi-functional malonyl-CoA reductase (MCR) from the photosynthetic green non-sulfur bacterium Roseiflexus castenholzii.
Mbio, 14, 2023
8HI6
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BU of 8hi6 by Molmil
Crystal structure of the NADP+ and MSA bound N terminal domain of bi-functional malonyl-CoA reductase from Roseiflexus castenholzii
分子名称: 3-oxidanylidenepropanoic acid, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Short-chain dehydrogenase/reductase SDR
著者Zhang, X, Wu, W.P, Xu, X.
登録日2022-11-18
公開日2023-05-31
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural basis of a bi-functional malonyl-CoA reductase (MCR) from the photosynthetic green non-sulfur bacterium Roseiflexus castenholzii.
Mbio, 14, 2023
2OT5
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BU of 2ot5 by Molmil
Crystal structure of the HIV gp41 core with the enfuvirtide resistance mutation N43D
分子名称: HIV-1 gp41 glycoprotein
著者Bai, X, Seedorff, J.E, Green, J, Dwyer, J.J.
登録日2007-02-07
公開日2008-06-17
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Impact of the enfuvirtide resistance mutation N43D and the associated baseline polymorphism E137K on peptide sensitivity and six-helix bundle structure.
Biochemistry, 47, 2008
5FGO
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BU of 5fgo by Molmil
Crystal structure of D. melanogaster Pur-alpha repeat III.
分子名称: CG1507-PB, isoform B, CHLORIDE ION
著者Windhager, A, Janowski, R, Niessing, D.
登録日2015-12-21
公開日2016-01-20
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural basis of nucleic-acid recognition and double-strand unwinding by the essential neuronal protein Pur-alpha.
Elife, 5, 2016
5FGP
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BU of 5fgp by Molmil
Crystal structure of D. melanogaster Pur-alpha repeat I-II in complex with DNA.
分子名称: CG1507-PB, isoform B, CHLORIDE ION, ...
著者Weber, J, Janowski, R, Niessing, D.
登録日2015-12-21
公開日2016-01-20
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural basis of nucleic-acid recognition and double-strand unwinding by the essential neuronal protein Pur-alpha.
Elife, 5, 2016
5H0K
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The crystal structure of WT Pedobacter heparinus SMUG2
分子名称: Uncharacterized protein
著者Xie, W, Cao, W, Pang, P.
登録日2016-10-04
公開日2017-01-18
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献SMUG2 DNA glycosylase from Pedobacter heparinus as a new subfamily of the UDG superfamily
Biochem. J., 474, 2017
5H0J
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The crystal structure of WT Pedobacter heparinus SMUG2
分子名称: Uncharacterized protein
著者Xie, W, Cao, W, Pang, P.
登録日2016-10-04
公開日2017-01-18
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.801 Å)
主引用文献SMUG2 DNA glycosylase from Pedobacter heparinus as a new subfamily of the UDG superfamily
Biochem. J., 474, 2017
6KVE
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BU of 6kve by Molmil
Crystal structure of a GH28 endo-polygalacturonase from Talaromyces leycettanus JCM 12802
分子名称: Endo-polygalacturonase
著者Tu, T, Hakulinen, N, Yao, B.
登録日2019-09-04
公開日2020-09-09
最終更新日2022-03-23
実験手法X-RAY DIFFRACTION (1.32 Å)
主引用文献Structural Insights into the Mechanisms Underlying the Kinetic Stability of GH28 Endo-Polygalacturonase.
J.Agric.Food Chem., 69, 2021
2QKT
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BU of 2qkt by Molmil
Crystal Structure of the 5th PDZ domain of InaD
分子名称: Inactivation-no-after-potential D protein
著者Ranganathan, R, Socolich, M.
登録日2007-07-11
公開日2007-11-06
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Dynamic Scaffolding in a G Protein-Coupled Signaling System.
Cell(Cambridge,Mass.), 131, 2007

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