6TE7
| The structure of CYP121 in complex with inhibitor S2 | Descriptor: | 1,2-ETHANEDIOL, 2-chloranyl-4-[4-[(1~{R})-1-imidazol-1-ylprop-2-enyl]phenyl]phenol, Mycocyclosin synthase, ... | Authors: | Adam, S, Koehnke, J. | Deposit date: | 2019-11-11 | Release date: | 2021-05-26 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.50001824 Å) | Cite: | Structure-Activity Relationship and Mode-Of-Action Studies Highlight 1-(4-Biphenylylmethyl)-1H-imidazole-Derived Small Molecules as Potent CYP121 Inhibitors. Chemmedchem, 16, 2021
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6TAA
| STRUCTURE AND MOLECULAR MODEL REFINEMENT OF ASPERGILLUS ORYZAE (TAKA) ALPHA-AMYLASE: AN APPLICATION OF THE SIMULATED-ANNEALING METHOD | Descriptor: | ALPHA-AMYLASE, CALCIUM ION | Authors: | Swift, H.J, Brady, L, Derewenda, Z.S, Dodson, E.J, Turkenburg, J.P, Wilkinson, A.J. | Deposit date: | 1992-08-21 | Release date: | 1993-10-31 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structure and molecular model refinement of Aspergillus oryzae (TAKA) alpha-amylase: an application of the simulated-annealing method. Acta Crystallogr.,Sect.B, 47, 1991
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6U34
| Binary complex of native hAChE with oxime reactivator RS194B | Descriptor: | (2E)-N-[2-(azepan-1-yl)ethyl]-2-(hydroxyimino)acetamide, Acetylcholinesterase, GLYCEROL, ... | Authors: | Kovalevsky, A, Gerlits, O, Radic, Z. | Deposit date: | 2019-08-21 | Release date: | 2020-02-12 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Rational design, synthesis, and evaluation of uncharged, "smart" bis-oxime antidotes of organophosphate-inhibited human acetylcholinesterase. J.Biol.Chem., 295, 2020
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8GLV
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6TZV
| Crystal Structure of the carboxyltransferase subunit of ACC (AccD6) in complex with inhibitor Phenyl-Cyclodiaone from Mycobacterium tuberculosis | Descriptor: | 4'-[(6-chloro-1,3-benzothiazol-2-yl)oxy]-6-hydroxy-4,4-dimethyl-4,5-dihydro[1,1'-biphenyl]-2(3H)-one, Probable propionyl-CoA carboxylase beta chain 6 | Authors: | Reddy, M.C.M, Zhou, N, Sacchettini, J, TB Structural Genomics Consortium (TBSGC) | Deposit date: | 2019-08-13 | Release date: | 2020-08-19 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.388 Å) | Cite: | Novel herbicidal derivatives that inhibit carboxyltransferase subunit of the acetyl-CoA carboxylase in Mycobacterium tuberculosis To Be Published
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8GUQ
| Cryo-EM structure of CB2-G protein complex | Descriptor: | Cannabinoid receptor 2, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | Authors: | Wu, L.J, Hua, T, Liu, Z.J, Li, X.T, Chang, H. | Deposit date: | 2022-09-13 | Release date: | 2023-05-10 | Last modified: | 2023-09-27 | Method: | ELECTRON MICROSCOPY (3.08 Å) | Cite: | Structural basis of selective cannabinoid CB 2 receptor activation. Nat Commun, 14, 2023
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6TZC
| Crystal Structure of African Swine Fever Virus A179L with the Autophagy Regulator Beclin | Descriptor: | Apoptosis regulator Bcl-2 homolog, Beclin-1, Maltose/maltodextrin-binding periplasmic protein, ... | Authors: | Banjara, S, Kvansakul, M, Hinds, M.G. | Deposit date: | 2019-08-12 | Release date: | 2019-11-20 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.41 Å) | Cite: | Crystal Structure of African Swine Fever Virus A179L with the Autophagy Regulator Beclin. Viruses, 11, 2019
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6U3E
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6U73
| Human Angiopoietin-Like 4 C-Terminal Domain (cANGPTL4) with Myristic Acid | Descriptor: | Angiopoietin-related protein 4, MYRISTIC ACID | Authors: | Tarver, C.L, Yuan, Q, Singhal, A.J, Ramaker, R, Cooper, S, Pusey, M.L. | Deposit date: | 2019-08-31 | Release date: | 2019-10-09 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.38 Å) | Cite: | Crystal Structures of Angiopoietin-Like 4s C-Terminal Domain (cANGPTL4) Reveal a Binding Site for Various Ligands To Be Published
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6UA3
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6U09
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6U72
| BRD4-BD1 in complex with the cyclic peptide 3.1_2_AcK5toA | Descriptor: | 3.1_2_AcK5toA, AMINO GROUP, Bromodomain-containing protein 4 | Authors: | Patel, K, Walshe, J.L, Walport, L.J, Mackay, J.P, Mouradian, K.S. | Deposit date: | 2019-08-31 | Release date: | 2020-08-19 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Cyclic peptides can engage a single binding pocket through highly divergent modes. Proc.Natl.Acad.Sci.USA, 117, 2020
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8GUT
| Cryo-EM structure of LEI-CB2-Gi complex | Descriptor: | 1-[[4-[5-fluoranyl-6-[(oxan-4-ylamino)methyl]pyridin-2-yl]phenyl]methyl]-3-(2-methylpropyl)imidazolidine-2,4-dione, Cannabinoid receptor 2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | Authors: | Liu, Z.J, Hua, T, Li, X.T, Chang, H, Wu, L.J. | Deposit date: | 2022-09-13 | Release date: | 2023-05-10 | Last modified: | 2023-05-24 | Method: | ELECTRON MICROSCOPY (2.98 Å) | Cite: | Structural basis of selective cannabinoid CB 2 receptor activation. Nat Commun, 14, 2023
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8GUR
| Cryo-EM structure of CP-CB2-G protein complex | Descriptor: | 2-[(1R,2R,5R)-5-hydroxy-2-(3-hydroxypropyl)cyclohexyl]-5-(2-methyloctan-2-yl)phenol, Cannabinoid receptor 2, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | Authors: | Wu, L.J, Hua, T, Liu, Z.J, Li, X.T, Chang, H. | Deposit date: | 2022-09-13 | Release date: | 2023-05-10 | Method: | ELECTRON MICROSCOPY (2.84 Å) | Cite: | Structural basis of selective cannabinoid CB 2 receptor activation. Nat Commun, 14, 2023
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8G3D
| 48-nm doublet microtubule from Tetrahymena thermophila strain K40R | Descriptor: | B2B3_fMIP, B5B6_fMIP, CFAM166A, ... | Authors: | Black, C.S, Kubo, S, Yang, S.K, Bui, K.H. | Deposit date: | 2023-02-07 | Release date: | 2023-06-14 | Method: | ELECTRON MICROSCOPY (3.7 Å) | Cite: | Native doublet microtubules from Tetrahymena thermophila reveal the importance of outer junction proteins. Nat Commun, 14, 2023
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8G2Z
| 48-nm doublet microtubule from Tetrahymena thermophila strain CU428 | Descriptor: | B2B3_fMIP, B5B6_fMIP, CFAM166A, ... | Authors: | Black, C.S, Kubo, S, Yang, S.K, Bui, K.H. | Deposit date: | 2023-02-06 | Release date: | 2023-06-14 | Method: | ELECTRON MICROSCOPY (4.1 Å) | Cite: | Native doublet microtubules from Tetrahymena thermophila reveal the importance of outer junction proteins. Nat Commun, 14, 2023
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6U63
| Mcl-1 bound to compound 17 | Descriptor: | 2-{[(naphthalen-2-yl)sulfonyl]amino}-5-[(2-phenylethyl)sulfanyl]benzoic acid, Induced myeloid leukemia cell differentiation protein Mcl-1 | Authors: | Stuckey, J.A. | Deposit date: | 2019-08-29 | Release date: | 2020-03-04 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Discovery and Characterization of 2,5-Substituted Benzoic Acid Dual Inhibitors of the Anti-apoptotic Mcl-1 and Bfl-1 Proteins. J.Med.Chem., 63, 2020
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6UC4
| Barbed end side of a cofilactin cluster | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle, ... | Authors: | Huehn, A.R, Bibeau, J.P, Schramm, A.C, Cao, W, De La Cruz, E.M, Sindelar, C.V. | Deposit date: | 2019-09-13 | Release date: | 2020-01-01 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (9.2 Å) | Cite: | Structures of cofilin-induced structural changes reveal local and asymmetric perturbations of actin filaments. Proc.Natl.Acad.Sci.USA, 117, 2020
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6UD2
| co-crystal structure of compound 1 bound to human Mcl-1 | Descriptor: | (4S,7aR,9aR,10S,11E,18R)-6'-chloro-10-[2-(3,3-difluoroazetidin-1-yl)ethoxy]-N-(dimethylsulfamoyl)-18-hydroxy-15-methyl-16-oxo-3',4',7,7a,8,9,9a,10,13,14,15,16,17,18-tetradecahydro-2'H,3H,5H-spiro[1,19-(ethanediylidene)cyclobuta[n][1,4]oxazepino[4,3-a][1,8]diazacyclohexadecine-4,1'-naphthalene]-18-carboxamide, Induced myeloid leukemia cell differentiation protein Mcl-1 | Authors: | Huang, X, Whittington, D. | Deposit date: | 2019-09-18 | Release date: | 2019-12-04 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Discovery and in Vivo Evaluation of Macrocyclic Mcl-1 Inhibitors Featuring an alpha-Hydroxy Phenylacetic Acid Pharmacophore or Bioisostere. J.Med.Chem., 62, 2019
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6UD6
| Spectroscopic and structural characterization of a genetically encoded direct sensor for protein-ligand interactions | Descriptor: | CHLORIDE ION, GLYCEROL, Streptavidin | Authors: | Mills, J.H, Gleason, P.R, Simmons, C.R, Henderson, J.N, Kartchner, B.K. | Deposit date: | 2019-09-18 | Release date: | 2020-09-23 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.502 Å) | Cite: | Structural Origins of Altered Spectroscopic Properties upon Ligand Binding in Proteins Containing a Fluorescent Noncanonical Amino Acid. Biochemistry, 60, 2021
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6UDC
| Spectroscopic and structural characterization of a genetically encoded direct sensor for protein-ligand interactions | Descriptor: | BIOTIN, Streptavidin | Authors: | Mills, J.H, Gleason, P.R, Simmons, C.R, Henderson, J.N, Kartchner, B.K. | Deposit date: | 2019-09-19 | Release date: | 2020-09-23 | Last modified: | 2021-10-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural Origins of Altered Spectroscopic Properties upon Ligand Binding in Proteins Containing a Fluorescent Noncanonical Amino Acid. Biochemistry, 60, 2021
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8GRY
| Cryo-EM structure of SARS-CoV-2 Omicron BA.2 RBD in complex with rat ACE2 (local refinement) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, Spike protein S1, ... | Authors: | Zhao, Z.N, Xie, Y.F, Chai, Y, Qi, J.X, Gao, G.F. | Deposit date: | 2022-09-03 | Release date: | 2023-07-19 | Last modified: | 2023-08-02 | Method: | ELECTRON MICROSCOPY (3.29 Å) | Cite: | Structural basis for receptor binding and broader interspecies receptor recognition of currently circulating Omicron sub-variants. Nat Commun, 14, 2023
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6UAB
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6UCU
| Cryo-EM structure of the mitochondrial TOM complex from yeast (dimer) | Descriptor: | DODECYL-BETA-D-MALTOSIDE, Mitochondrial import receptor subunit TOM22, Mitochondrial import receptor subunit TOM40, ... | Authors: | Park, E, Tucker, K. | Deposit date: | 2019-09-17 | Release date: | 2019-11-06 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (3.06 Å) | Cite: | Cryo-EM structure of the mitochondrial protein-import channel TOM complex at near-atomic resolution. Nat.Struct.Mol.Biol., 26, 2019
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6U0A
| Human Angiopoietin-Like 4 C-Terminal Domain (cANGPTL4) with Glycerol | Descriptor: | Angiopoietin-related protein 4, GLYCEROL | Authors: | Tarver, C.L, Yuan, Q, Singhal, A.J, Ramaker, R, Cooper, S, Pusey, M.L. | Deposit date: | 2019-08-14 | Release date: | 2019-10-09 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.11 Å) | Cite: | Crystal Structures of Angiopoietin-Like 4 C-Terminal Domain (cANGPTL4) Reveal a Binding Pocket with Multiple Ligands To Be Published
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