6JLU
 
 | | Structure of PSII-FCP supercomplex from a centric diatom Chaetoceros gracilis at 3.02 angstrom resolution | | Descriptor: | (3S,3'R,5R,6S,7cis)-7',8'-didehydro-5,6-dihydro-5,6-epoxy-beta,beta-carotene-3,3'-diol, (3S,3'S,5R,5'R,6S,6'R,8'R)-3,5'-dihydroxy-8-oxo-6',7'-didehydro-5,5',6,6',7,8-hexahydro-5,6-epoxy-beta,beta-caroten-3'-yl acetate, 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, ... | | Authors: | Pi, X, Zhao, S, Wang, W, Kuang, T, Sui, S, Shen, J. | | Deposit date: | 2019-03-06 | | Release date: | 2019-07-31 | | Last modified: | 2019-11-06 | | Method: | ELECTRON MICROSCOPY (3.02 Å) | | Cite: | The pigment-protein network of a diatom photosystem II-light-harvesting antenna supercomplex.
Science, 365, 2019
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5LRM
 | | Structure of di-zinc MCR-1 in P41212 space group | | Descriptor: | GLYCEROL, ZINC ION, phosphatidylethanolamine transferase Mcr-1 | | Authors: | Hinchliffe, P, Spencer, J. | | Deposit date: | 2016-08-19 | | Release date: | 2016-12-07 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Insights into the Mechanistic Basis of Plasmid-Mediated Colistin Resistance from Crystal Structures of the Catalytic Domain of MCR-1.
Sci Rep, 7, 2017
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5LRN
 | | Structure of mono-zinc MCR-1 in P21 space group | | Descriptor: | GLYCEROL, Phosphatidylethanolamine transferase Mcr-1, ZINC ION | | Authors: | Hinchliffe, P, Paterson, N.G, Spencer, J. | | Deposit date: | 2016-08-19 | | Release date: | 2016-12-07 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Insights into the Mechanistic Basis of Plasmid-Mediated Colistin Resistance from Crystal Structures of the Catalytic Domain of MCR-1.
Sci Rep, 7, 2017
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7SKQ
 | | BtSCoV-Rf1.2004 Papain-Like protease bound to the non-covalent inhibitor GRL-0617 | | Descriptor: | 3C-like proteinase, 5-amino-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide, ZINC ION | | Authors: | Freitas, B, Durie, I, Shepard, J, O'Boyle, B, Enos, S, Pegan, S.D. | | Deposit date: | 2021-10-21 | | Release date: | 2022-03-02 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (3.16 Å) | | Cite: | Exploring Noncovalent Protease Inhibitors for the Treatment of Severe Acute Respiratory Syndrome and Severe Acute Respiratory Syndrome-Like Coronaviruses.
Acs Infect Dis., 8, 2022
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7SKR
 | | BtSCoV-Rf1.2004 Papain-Like protease bound to the non-covalent inhibitor 37 | | Descriptor: | 3C-like proteinase, DIMETHYL SULFOXIDE, N-[(2-methoxypyridin-4-yl)methyl]-2-[(1R)-1-(naphthalen-1-yl)ethyl]-2-azaspiro[3.3]heptane-6-carboxamide, ... | | Authors: | Durie, I, Shepard, J, Freitas, B, O'Boyle, B, Enos, S, Pegan, S.D. | | Deposit date: | 2021-10-21 | | Release date: | 2022-03-02 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.89 Å) | | Cite: | Exploring Noncovalent Protease Inhibitors for the Treatment of Severe Acute Respiratory Syndrome and Severe Acute Respiratory Syndrome-Like Coronaviruses.
Acs Infect Dis., 8, 2022
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8HJV
 | | Cryo-EM structure of carotenoid-depleted RC-LH complex from Roseiflexus castenholzii at 10,000 lux | | Descriptor: | (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, 2-methyl-3-[(2E,6E,10E,14E,18E,22E,26E,30E,34E,38E)-3,7,11,15,19,23,27,31,35,39,43-undecamethyltetratetraconta-2,6,10,1 4,18,22,26,30,34,38,42-undecaen-1-yl]naphthalene-1,4-dione, Alpha subunit of light-harvesting 1, ... | | Authors: | Xu, X, Xin, J. | | Deposit date: | 2022-11-23 | | Release date: | 2023-09-20 | | Last modified: | 2023-10-04 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Carotenoid assembly regulates quinone diffusion and the Roseiflexus castenholzii reaction center-light harvesting complex architecture.
Elife, 12, 2023
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8HJU
 | | Cryo-EM structure of native RC-LH complex from Roseiflexus castenholzii at 10,000 lux | | Descriptor: | (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, 2-methyl-3-[(2E,6E,10E,14E,18E,22E,26E,30E,34E,38E)-3,7,11,15,19,23,27,31,35,39,43-undecamethyltetratetraconta-2,6,10,1 4,18,22,26,30,34,38,42-undecaen-1-yl]naphthalene-1,4-dione, Alpha subunit of light-harvesting 1, ... | | Authors: | Xu, X, Xin, J. | | Deposit date: | 2022-11-23 | | Release date: | 2023-09-20 | | Last modified: | 2023-10-04 | | Method: | ELECTRON MICROSCOPY (2.8 Å) | | Cite: | Carotenoid assembly regulates quinone diffusion and the Roseiflexus castenholzii reaction center-light harvesting complex architecture.
Elife, 12, 2023
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6IZQ
 | | PRMT4 bound with a bicyclic compound | | Descriptor: | (2R)-1-(methylamino)-3-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)propan-2-ol, Histone-arginine methyltransferase CARM1 | | Authors: | Xiong, B, Cao, D.Y, Guo, Z.H, Li, Y.L, Li, J, Huang, X, Shen, J.K. | | Deposit date: | 2018-12-20 | | Release date: | 2019-12-25 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.449 Å) | | Cite: | Design and Synthesis of Potent, Selective Inhibitors of Protein Arginine Methyltransferase 4 against Acute Myeloid Leukemia.
J.Med.Chem., 62, 2019
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5XZR
 | | The atomic structure of SHP2 E76A mutant in complex with allosteric inhibitor 9b | | Descriptor: | 4-(3-phenylphenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-thiazol-2-amine, Tyrosine-protein phosphatase non-receptor type 11 | | Authors: | Li, D, Xie, J, Zhu, J, Liu, C. | | Deposit date: | 2017-07-13 | | Release date: | 2017-12-13 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Allosteric Inhibitors of SHP2 with Therapeutic Potential for Cancer Treatment.
J. Med. Chem., 60, 2017
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8TLL
 | | CDCA7 (Mouse) Binds Non-B-form 26-mer DNA oligo | | Descriptor: | 1,2-ETHANEDIOL, Cell division cycle-associated protein 7, DNA (26-MER), ... | | Authors: | Horton, J.R, Ren, R, Cheng, X. | | Deposit date: | 2023-07-26 | | Release date: | 2024-08-21 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.58 Å) | | Cite: | The ICF syndrome protein CDCA7 harbors a unique DNA binding domain that recognizes a CpG dyad in the context of a non-B DNA.
Sci Adv, 10, 2024
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5ZHP
 | | M3 muscarinic acetylcholine receptor in complex with a selective antagonist | | Descriptor: | (1R,2R,4S,5S,7s)-7-({[4-fluoro-2-(thiophen-2-yl)phenyl]carbamoyl}oxy)-9,9-dimethyl-3-oxa-9-azatricyclo[3.3.1.0~2,4~]nonan-9-ium, CITRIC ACID, HEXAETHYLENE GLYCOL, ... | | Authors: | Liu, H, Hofmann, J, Fish, I, Schaake, B, Eitel, K, Bartuschat, A, Kaindl, J, Rampp, H, Banerjee, A, Hubner, H, Clark, M.J, Vincent, S.G, Fisher, J, Heinrich, M, Hirata, K, Liu, X, Sunahara, R.K, Shoichet, B.K, Kobilka, B.K, Gmeiner, P. | | Deposit date: | 2018-03-13 | | Release date: | 2018-11-28 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Structure-guided development of selective M3 muscarinic acetylcholine receptor antagonists
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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6KKH
 | | Crystal structure of the oxalate bound malyl-CoA lyase from Roseiflexus castenholzii | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, HpcH/HpaI aldolase, MAGNESIUM ION, ... | | Authors: | Tang, W.R, Wang, Z.G, Zhang, C.Y, Wang, C. | | Deposit date: | 2019-07-25 | | Release date: | 2019-09-04 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.64 Å) | | Cite: | The C-terminal domain conformational switch revealed by the crystal structure of malyl-CoA lyase from Roseiflexus castenholzii.
Biochem.Biophys.Res.Commun., 518, 2019
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6JUH
 | | structure of CavAb in complex with efonidipine | | Descriptor: | 1,2-DIMYRISTOYL-RAC-GLYCERO-3-PHOSPHOCHOLINE, 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-[phenyl-(phenylmethyl)amino]ethyl (4~{R})-5-(5,5-dimethyl-2-oxidanylidene-1,3,2$l^{5}-dioxaphosphinan-2-yl)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate, ... | | Authors: | Tang, L, Xu, F. | | Deposit date: | 2019-04-13 | | Release date: | 2019-11-06 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structural basis for efonidipine block of a voltage-gated Ca2+channel.
Biochem.Biophys.Res.Commun., 513, 2019
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6KIN
 | | Crystal structure of the tri-functional malyl-CoA lyase from Roseiflexus castenholzii | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, HpcH/HpaI aldolase | | Authors: | Tang, W.R, Zhang, C.Y, Wang, C, Xu, X.L. | | Deposit date: | 2019-07-19 | | Release date: | 2019-09-04 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.527 Å) | | Cite: | The C-terminal domain conformational switch revealed by the crystal structure of malyl-CoA lyase from Roseiflexus castenholzii.
Biochem.Biophys.Res.Commun., 518, 2019
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8C0F
 | | Tubulin-PTC596 complex | | Descriptor: | 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 5-fluoranyl-2-(6-fluoranyl-2-methyl-benzimidazol-1-yl)-~{N}4-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine, ... | | Authors: | Prota, A.E, Muehlethaler, T, Weetall, M, Steinmetz, M.O. | | Deposit date: | 2022-12-16 | | Release date: | 2022-12-28 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.1005 Å) | | Cite: | Preclinical and Early Clinical Development of PTC596, a Novel Small-Molecule Tubulin-Binding Agent
Mol Cancer Ther, 20, 2021
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5XK0
 | | Structure of 8-mer DNA2 | | Descriptor: | DNA (5'-D(*GP*CP*CP*CP*GP*AP*GP*C)-3') | | Authors: | Liu, H.H, Gan, J.H. | | Deposit date: | 2017-05-04 | | Release date: | 2017-12-06 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.451 Å) | | Cite: | A DNA Structure Containing AgI -Mediated G:G and C:C Base Pairs
Angew. Chem. Int. Ed. Engl., 56, 2017
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5XK1
 | | Structure of 8-mer DNA3 | | Descriptor: | DNA (5'-D(*GP*GP*AP*GP*CP*CP*CP*C)-3') | | Authors: | Liu, H.H, Gan, J.H. | | Deposit date: | 2017-05-04 | | Release date: | 2017-12-06 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.501 Å) | | Cite: | A DNA Structure Containing AgI -Mediated G:G and C:C Base Pairs.
Angew. Chem. Int. Ed. Engl., 56, 2017
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8IJK
 | | human KCNQ2-CaM-Ebio1 complex in the presence of PIP2 | | Descriptor: | Calmodulin-1, N-(1,2-dihydroacenaphthylen-5-yl)-4-fluoranyl-benzamide, Potassium voltage-gated channel subfamily KQT member 2 | | Authors: | Ma, D, Guo, J. | | Deposit date: | 2023-02-27 | | Release date: | 2024-01-17 | | Last modified: | 2024-07-10 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | A small-molecule activation mechanism that directly opens the KCNQ2 channel.
Nat.Chem.Biol., 20, 2024
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7DFG
 | | Structure of COVID-19 RNA-dependent RNA polymerase bound to favipiravir | | Descriptor: | 6-fluoro-3-oxo-4-(5-O-phosphono-beta-D-ribofuranosyl)-3,4-dihydropyrazine-2-carboxamide, MAGNESIUM ION, Non-structural protein 7, ... | | Authors: | Li, Z, Zhou, Z, Yu, X. | | Deposit date: | 2020-11-08 | | Release date: | 2021-11-17 | | Last modified: | 2024-05-29 | | Method: | ELECTRON MICROSCOPY (2.7 Å) | | Cite: | Structural basis for repurpose and design of nucleotide drugs for treating COVID-19
To Be Published
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7DFH
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7DOK
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7DOI
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5XJZ
 | | Structure of DNA1-Ag complex | | Descriptor: | DNA (5'-D(*GP*CP*AP*CP*GP*CP*GP*C)-3'), SILVER ION, SPERMINE | | Authors: | Liu, H.H, Gan, J.H. | | Deposit date: | 2017-05-04 | | Release date: | 2017-12-06 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (0.98 Å) | | Cite: | A DNA Structure Containing AgI -Mediated G:G and C:C Base Pairs
Angew. Chem. Int. Ed. Engl., 56, 2017
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8H97
 | | GH86 agarase Aga86A_Wa | | Descriptor: | Beta-agarase, CALCIUM ION, HEXAETHYLENE GLYCOL | | Authors: | Zhang, Y.Y, Dong, S, Feng, Y.G, Chang, Y.G. | | Deposit date: | 2022-10-25 | | Release date: | 2023-02-22 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.194 Å) | | Cite: | Structural characterization on a beta-agarase Aga86A_Wa from Wenyingzhuangia aestuarii reveals the prevalent methyl-galactose accommodation capacity of GH86 enzymes at subsite -1.
Carbohydr Polym, 306, 2023
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8JLW
 | | CCHFV envelope protein Gc in complex with Gc8 | | Descriptor: | Glycoprotein C,CCHFV envelope protein Gc fusion loops, Mouse antibody Gc8 heavy chain, Mouse antibody Gc8 light chain | | Authors: | Chong, T, Cao, S. | | Deposit date: | 2023-06-03 | | Release date: | 2024-01-24 | | Last modified: | 2024-02-28 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Neutralizing monoclonal antibodies against the Gc fusion loop region of Crimean-Congo hemorrhagic fever virus.
Plos Pathog., 20, 2024
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