7WNW
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7WNP
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7WNO
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7WNN
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7WNL
| Crystal structure of a mutant Staphylococcus equorum manganese superoxide dismutase K38R and A121Y | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, AZIDE ION, BROMIDE ION, ... | Authors: | Retnoningrum, D.S, Yoshida, H, Artarini, A.A, Ismaya, W.T. | Deposit date: | 2022-01-18 | Release date: | 2023-01-25 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.51 Å) | Cite: | Introducing Intermolecular Interaction to Strengthen the Stability of MnSOD Dimer. Appl.Biochem.Biotechnol., 195, 2023
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7WNI
| Crystal Structure of the second bromodomain of human BRD2 in complex with the inhibitor Y13158 | Descriptor: | 1,2-ETHANEDIOL, 7-[2-[2,4-bis(fluoranyl)phenoxy]-5-(2-oxidanylpropan-2-yl)phenyl]-2-[4-(2-hydroxyethyloxy)-3,5-dimethyl-phenyl]-5-methyl-furo[3,2-c]pyridin-4-one, DI(HYDROXYETHYL)ETHER, ... | Authors: | Li, J, Zhang, C, Xu, H, Zhuang, X, Wu, X, Zhang, Y, Xu, Y. | Deposit date: | 2022-01-18 | Release date: | 2022-08-10 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3.12 Å) | Cite: | Structure-Based Discovery and Optimization of Furo[3,2- c ]pyridin-4(5 H )-one Derivatives as Potent and Second Bromodomain (BD2)-Selective Bromo and Extra Terminal Domain (BET) Inhibitors. J.Med.Chem., 65, 2022
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7WNA
| Crystal Structure of the second bromodomain of human BRD2 in complex with the inhibitor Y13120 | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Isoform 4 of Bromodomain-containing protein 2, ... | Authors: | Li, J, Zhang, C, Xu, H, Zhuang, X, Wu, X, Zhang, Y, Xu, Y. | Deposit date: | 2022-01-17 | Release date: | 2022-08-10 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structure-Based Discovery and Optimization of Furo[3,2- c ]pyridin-4(5 H )-one Derivatives as Potent and Second Bromodomain (BD2)-Selective Bromo and Extra Terminal Domain (BET) Inhibitors. J.Med.Chem., 65, 2022
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7WN9
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7WN5
| Crystal Structure of the second bromodomain of human BRD2 in complex with the inhibitor Y13142 | Descriptor: | 1,2-ETHANEDIOL, Isoform 4 of Bromodomain-containing protein 2, POTASSIUM ION, ... | Authors: | Li, J, Zhang, C, Xu, H, Zhuang, X, Wu, X, Zhang, Y, Xu, Y. | Deposit date: | 2022-01-17 | Release date: | 2022-08-10 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structure-Based Discovery and Optimization of Furo[3,2- c ]pyridin-4(5 H )-one Derivatives as Potent and Second Bromodomain (BD2)-Selective Bromo and Extra Terminal Domain (BET) Inhibitors. J.Med.Chem., 65, 2022
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7WMV
| Structure of human SGLT1-MAP17 complex bound with LX2761 | Descriptor: | N-[2-(dimethylamino)ethyl]-2-methyl-2-[4-[4-[[2-methyl-5-[(2S,3R,4R,5S,6R)-6-methylsulfanyl-3,4,5-tris(oxidanyl)oxan-2-yl]phenyl]methyl]phenyl]butanoylamino]propanamide, PDZK1-interacting protein 1, Sodium/glucose cotransporter 1 | Authors: | Chen, L, Niu, Y, Cui, W. | Deposit date: | 2022-01-17 | Release date: | 2022-11-16 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Structural mechanism of SGLT1 inhibitors. Nat Commun, 13, 2022
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7WMU
| Crystal Structure of the second bromodomain of human BRD2 in complex with the inhibitor Y13146 | Descriptor: | 1,2-ETHANEDIOL, Isoform 4 of Bromodomain-containing protein 2, ~{N}-[4-[2,4-bis(fluoranyl)phenoxy]-3-[2-(2-cyclobutyl-1~{H}-imidazol-5-yl)-5-methyl-4-oxidanylidene-furo[3,2-c]pyridin-7-yl]phenyl]ethanesulfonamide | Authors: | Li, J, Zhang, C, Xu, H, Zhuang, X, Wu, X, Zhang, Y, Xu, Y. | Deposit date: | 2022-01-17 | Release date: | 2022-08-10 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | Structure-Based Discovery and Optimization of Furo[3,2- c ]pyridin-4(5 H )-one Derivatives as Potent and Second Bromodomain (BD2)-Selective Bromo and Extra Terminal Domain (BET) Inhibitors. J.Med.Chem., 65, 2022
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7WMQ
| Crystal Structure of the second bromodomain of human BRD2 in complex with the inhibitor Y13157 | Descriptor: | 2-(2-cyclobutyl-1~{H}-imidazol-5-yl)-7-[2-(4-fluoranyl-2,6-dimethyl-phenoxy)-5-(2-oxidanylpropan-2-yl)phenyl]-5-methyl-furo[3,2-c]pyridin-4-one, FORMIC ACID, GLYCEROL, ... | Authors: | Li, J, Zhang, C, Xu, H, Zhuang, X, Wu, X, Zhang, Y, Xu, Y. | Deposit date: | 2022-01-16 | Release date: | 2022-08-10 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.37 Å) | Cite: | Structure-Based Discovery and Optimization of Furo[3,2- c ]pyridin-4(5 H )-one Derivatives as Potent and Second Bromodomain (BD2)-Selective Bromo and Extra Terminal Domain (BET) Inhibitors. J.Med.Chem., 65, 2022
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7WMP
| Tail structure of Helicobacter pylori bacteriophage KHP30 | Descriptor: | Adaptor protein gp12, Nozzle protein gp25, Portal protein | Authors: | Kamiya, R, Uchiyama, J, Matsuzaki, S, Murata, K, Iwasaki, K, Miyazaki, N. | Deposit date: | 2022-01-15 | Release date: | 2023-03-01 | Last modified: | 2024-06-26 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Cryo-EM structure of Helicobacter pylori bacteriophage KHP30 To Be Published
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7WMI
| Threonyl-tRNA synthetase from Salmonella enterica in complex with an inhibitor | Descriptor: | (2S,3R)-2-azanyl-N-[(1R)-2-[3-(7-bromanyl-6-chloranyl-4-oxidanylidene-quinazolin-3-yl)propanoylamino]-1-(3-phenylphenyl)ethyl]-3-oxidanyl-butanamide, 1,2-ETHANEDIOL, Threonine--tRNA ligase, ... | Authors: | Cai, Z, Chen, B, Yu, Y, Zhou, H. | Deposit date: | 2022-01-14 | Release date: | 2022-04-27 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Design, Synthesis, and Proof-of-Concept of Triple-Site Inhibitors against Aminoacyl-tRNA Synthetases. J.Med.Chem., 65, 2022
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7WMF
| Threonyl-tRNA synthetase from Salmonella enterica in complex with an inhibitor | Descriptor: | (2S,3R)-2-azanyl-N-[(1R)-2-[3-[6,7-bis(chloranyl)-4-oxidanylidene-quinazolin-3-yl]propanoylamino]-1-[3-[4-(trifluoromethyl)phenyl]phenyl]ethyl]-3-oxidanyl-butanamide, 1,2-ETHANEDIOL, Threonine--tRNA ligase, ... | Authors: | Cai, Z, Chen, B, Yu, Y, Zhou, H. | Deposit date: | 2022-01-14 | Release date: | 2022-04-27 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Design, Synthesis, and Proof-of-Concept of Triple-Site Inhibitors against Aminoacyl-tRNA Synthetases. J.Med.Chem., 65, 2022
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7WMC
| Crystal structure of macrocyclic peptide 1 bound to human Nicotinamide N-methyltransferase | Descriptor: | Nicotinamide N-methyltransferase, Peptide1 | Authors: | Yoshida, S, Uehara, S, Kondo, N, Takahashi, Y, Yamamoto, S, Kameda, A, Kawagoe, S, Inoue, N, Yamada, M, Yoshimura, N, Tachibana, Y. | Deposit date: | 2022-01-14 | Release date: | 2022-08-31 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Peptide-to-Small Molecule: A Pharmacophore-Guided Small Molecule Lead Generation Strategy from High-Affinity Macrocyclic Peptides. J.Med.Chem., 65, 2022
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7WM4
| Cryo-EM structure of tetrameric TLR3 in complex with dsRNA (90 bp) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, RNA (81-MER), ... | Authors: | Sakaniwa, K, Ohto, U, Shimizu, T. | Deposit date: | 2022-01-14 | Release date: | 2023-01-25 | Last modified: | 2023-08-30 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | TLR3 forms a laterally aligned multimeric complex along double-stranded RNA for efficient signal transduction. Nat Commun, 14, 2023
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7WLV
| Crystal Structure of the Multidrug effulx transporter BpeF from Burkholderia pseudomallei. | Descriptor: | DODECYL-BETA-D-MALTOSIDE, Efflux pump membrane transporter | Authors: | Kato, T, Hung, L.-W, Yamashita, E, Okada, U, Terwilliger, T.C, Murakami, S. | Deposit date: | 2022-01-13 | Release date: | 2023-07-19 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Crystal structures of multidrug efflux transporters from Burkholderia pseudomallei suggest details of transport mechanism. Proc.Natl.Acad.Sci.USA, 120, 2023
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7WLU
| The Flattened Structure of mPIEZO1 in Lipid Bilayer | Descriptor: | (9R,11S)-9-({[(1S)-1-HYDROXYHEXADECYL]OXY}METHYL)-2,2-DIMETHYL-5,7,10-TRIOXA-2LAMBDA~5~-AZA-6LAMBDA~5~-PHOSPHAOCTACOSANE-6,6,11-TRIOL, Piezo-type mechanosensitive ion channel component 1 | Authors: | Yang, X, Lin, C, Chen, X, Li, S, Li, X, Xiao, B. | Deposit date: | 2022-01-13 | Release date: | 2022-04-13 | Last modified: | 2024-06-26 | Method: | ELECTRON MICROSCOPY (6.81 Å) | Cite: | Structure deformation and curvature sensing of PIEZO1 in lipid membranes. Nature, 604, 2022
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7WLT
| the Curved Structure of mPIEZO1 in Lipid Bilayer | Descriptor: | (9R,11S)-9-({[(1S)-1-HYDROXYHEXADECYL]OXY}METHYL)-2,2-DIMETHYL-5,7,10-TRIOXA-2LAMBDA~5~-AZA-6LAMBDA~5~-PHOSPHAOCTACOSANE-6,6,11-TRIOL, 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, O-[(R)-{[(2R)-2,3-bis(octadecanoyloxy)propyl]oxy}(hydroxy)phosphoryl]-L-serine, ... | Authors: | Yang, X, Lin, C, Chen, X, Li, S, Li, X, Xiao, B. | Deposit date: | 2022-01-13 | Release date: | 2022-04-13 | Last modified: | 2022-07-06 | Method: | ELECTRON MICROSCOPY (3.46 Å) | Cite: | Structure deformation and curvature sensing of PIEZO1 in lipid membranes. Nature, 604, 2022
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7WLS
| Crystal structure of the multidrug efflux transporter BpeB from Burkholderia pseudomallei | Descriptor: | Efflux pump membrane transporter, TETRAETHYLENE GLYCOL, UNDECYL-MALTOSIDE | Authors: | Kato, T, Hung, L.-W, Yamashita, E, Okada, U, Terwilliger, T.C, Murakami, S. | Deposit date: | 2022-01-13 | Release date: | 2023-07-19 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.94 Å) | Cite: | Crystal structures of multidrug efflux transporters from Burkholderia pseudomallei suggest details of transport mechanism. Proc.Natl.Acad.Sci.USA, 120, 2023
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7WLR
| Cryo-EM structure of the nucleosome containing Komagataella pastoris histones | Descriptor: | DNA (145-MER), Histone H2A, Histone H2B, ... | Authors: | Fukushima, Y, Hatazawa, S, Hirai, S, Kujirai, T, Takizawa, Y, Kurumizaka, H. | Deposit date: | 2022-01-13 | Release date: | 2022-07-13 | Last modified: | 2024-06-26 | Method: | ELECTRON MICROSCOPY (3.54 Å) | Cite: | Structural and biochemical analyses of the nucleosome containing Komagataella pastoris histones. J.Biochem., 172, 2022
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7WLN
| Crystal Structure of the second bromodomain of human BRD2 in complex with the inhibitor Y13153 | Descriptor: | 2-(2-cyclopentyl-1~{H}-imidazol-5-yl)-7-[2-(4-fluoranyl-2,6-dimethyl-phenoxy)-5-(2-oxidanylpropan-2-yl)phenyl]-5-methyl-furo[3,2-c]pyridin-4-one, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ... | Authors: | Li, J, Zhang, C, Xu, H, Zhuang, X, Wu, X, Zhang, Y, Xu, Y. | Deposit date: | 2022-01-13 | Release date: | 2022-08-10 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Structure-Based Discovery and Optimization of Furo[3,2- c ]pyridin-4(5 H )-one Derivatives as Potent and Second Bromodomain (BD2)-Selective Bromo and Extra Terminal Domain (BET) Inhibitors. J.Med.Chem., 65, 2022
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7WLM
| The Cryo-EM structure of siphonaxanthin chlorophyll a/b type light-harvesting complex II | Descriptor: | (1R,3R)-6-{(3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1S,4R,6R)-4-HYDROXY-2,2,6-TRIMETHYL-7-OXABICYCLO[4.1.0]HEPT-1-YL]-3,7,12,16-TETRAMETHYLOCTADECA-1,3,5,7,9,11,13,15,17-NONAENYLIDENE}-1,5,5-TRIMETHYLCYCLOHEXANE-1,3-DIOL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, CHLOROPHYLL A, ... | Authors: | Seki, S, Nakaniwa, T, Castro-Hartmann, P, Sader, K, Kawamoto, A, Tanaka, H, Qian, P, Kurisu, G, Fujii, R. | Deposit date: | 2022-01-13 | Release date: | 2022-11-23 | Last modified: | 2024-06-26 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | Structural insights into blue-green light utilization by marine green algal light harvesting complex II at 2.78 angstrom. Bba Adv, 2, 2022
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7WLJ
| CryoEM structure of human low-voltage activated T-type calcium channel Cav3.3 in complex with mibefradil (MIB) | Descriptor: | (1S,2S)-2-(2-{[3-(1H-benzimidazol-2-yl)propyl](methyl)amino}ethyl)-6-fluoro-1-(propan-2-yl)-1,2,3,4-tetrahydronaphthalen-2-yl methoxyacetate, 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | He, L, Yu, Z, Dong, Y, Chen, Q, Zhao, Y. | Deposit date: | 2022-01-13 | Release date: | 2022-05-04 | Last modified: | 2022-05-25 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | Structure, gating, and pharmacology of human Ca V 3.3 channel. Nat Commun, 13, 2022
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