9D3G
 
 | | Cryo-EM structure of CCR6 bound by SQA1 and OXM1 | | Descriptor: | 1-(4-chlorophenyl)-N-{[(2R)-4-(2,3-dihydro-1H-inden-2-yl)-5-oxomorpholin-2-yl]methyl}cyclopropane-1-carboxamide, 4-[[3,4-bis(oxidanylidene)-2-[[(1~{R})-1-(4-propan-2-ylfuran-2-yl)propyl]amino]cyclobuten-1-yl]amino]-~{N},~{N}-dimethyl-3-oxidanyl-pyridine-2-carboxamide, CCR6, ... | | Authors: | Wasilko, D.J, Wu, H. | | Deposit date: | 2024-08-10 | | Release date: | 2024-09-11 | | Method: | ELECTRON MICROSCOPY (3.26 Å) | | Cite: | Structural basis for CCR6 modulation by allosteric antagonists.
Nat Commun, 15, 2024
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9D3E
 | | Cryo-EM structure of CCR6 bound by SQA1 and OXM2 | | Descriptor: | 4-[[3,4-bis(oxidanylidene)-2-[[(1~{R})-1-(4-propan-2-ylfuran-2-yl)propyl]amino]cyclobuten-1-yl]amino]-~{N},~{N}-dimethyl-3-oxidanyl-pyridine-2-carboxamide, CHOLESTEROL, Human CCR6, ... | | Authors: | Wasilko, D.J, Wu, H. | | Deposit date: | 2024-08-09 | | Release date: | 2024-09-11 | | Method: | ELECTRON MICROSCOPY (3.02 Å) | | Cite: | Structural basis for CCR6 modulation by allosteric antagonists.
Nat Commun, 15, 2024
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9CYS
 | | Toxin/immunity complex for a T6SS lipase effector from E. cloacae | | Descriptor: | Ankyrin repeat domain-containing protein, CITRIC ACID, GLYCEROL, ... | | Authors: | Cuthbert, B.J, Jensen, S.J, Goulding, C.W, Hayes, C.S. | | Deposit date: | 2024-08-02 | | Release date: | 2024-08-14 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Advanced glycation end-product (AGE) crosslinking activates a type 6 secretion system phospholipase effector protein
Nature Communications, 2024
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9CWN
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9CTX
 | | X-ray crystal structure of multi-drug resistant HIV-1 protease (P51) in complex with Darunavir | | Descriptor: | (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, GLYCEROL, Protease | | Authors: | Hayashi, H, Yedidi, R, Bulut, H, Das, D, Mitsuya, H. | | Deposit date: | 2024-07-25 | | Release date: | 2024-08-07 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Secondary amino-acid substitutions contribute to the emergence of HIV protease inhibitor resistance as directly as primary amino-acid substitutions.
To Be Published
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9CSI
 | | A. baumannii MsbA Bound to Cerastecin Compound 5 | | Descriptor: | 3,3'-[(1,4-dioxobutane-1,4-diyl)bis(azanediyl)]bis[(4-butylbenzene-1-sulfonamido)benzoic acid], Lipid A export ATP-binding/permease protein MsbA, MAGNESIUM ION, ... | | Authors: | Klein, D.J, Ishchenko, A, Soisson, S, Cheng, R, Hennig, M. | | Deposit date: | 2024-07-23 | | Release date: | 2024-09-04 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Cerastecin Inhibition of the Lipooligosaccharide Transporter MsbA to Combat Acinetobacter baumannii : From Screening Impurity to In Vivo Efficacy.
J.Med.Chem., 2024
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9CSG
 | | Human Serum Albumin Bound to Cerastecin Compound 5e | | Descriptor: | 2-(4-butylbenzene-1-sulfonamido)-5-(4-{3-carboxy-4-[4-(2-methoxyethyl)benzene-1-sulfonamido]anilino}-4-oxobutanamido)benzoic acid, Albumin, MYRISTIC ACID | | Authors: | Hruza, A, Klein, D.J, Ishchenko, A. | | Deposit date: | 2024-07-23 | | Release date: | 2024-09-04 | | Method: | X-RAY DIFFRACTION (1.914 Å) | | Cite: | Cerastecin Inhibition of the Lipooligosaccharide Transporter MsbA to Combat Acinetobacter baumannii : From Screening Impurity to In Vivo Efficacy.
J.Med.Chem., 2024
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9CRN
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9CPO
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9CPJ
 | | Structures of small molecules bound to RNA repeat expansions that cause Huntington's disease-like 2 and myotonic dystrophy type 1 | | Descriptor: | RNA (5'-R(*GP*AP*CP*AP*GP*CP*UP*GP*CP*UP*GP*UP*C)-3') | | Authors: | Chen, J.L, Taghavi, A, Disney, M.D, Fountain, M.A, Childs-Disney, J.L. | | Deposit date: | 2024-07-18 | | Release date: | 2024-08-07 | | Method: | SOLUTION NMR | | Cite: | Structures of small molecules bound to RNA repeat expansions that cause Huntington's disease-like 2 and myotonic dystrophy type 1.
Bioorg.Med.Chem.Lett., 2024
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9CPI
 | | Structures of small molecules bound to RNA repeat expansions that cause Huntington's disease-like 2 and myotonic dystrophy type 1 | | Descriptor: | 4-[1-(2-aminoethyl)-4,5-dihydro-1H-imidazol-2-yl]-N-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]benzamide, RNA (5'-R(*GP*AP*CP*AP*GP*CP*UP*GP*CP*UP*GP*UP*C)-3') | | Authors: | Chen, J.L, Taghavi, A, Disney, M.D, Fountain, M.A, Childs-Disney, J.L. | | Deposit date: | 2024-07-18 | | Release date: | 2024-08-07 | | Last modified: | 2024-08-14 | | Method: | SOLUTION NMR | | Cite: | NMR structures of small molecules bound to a model of a CUG RNA repeat expansion.
Bioorg.Med.Chem.Lett., 111, 2024
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9CPG
 | | Structures of small molecules bound to RNA repeat expansions that cause Huntington's disease-like 2 and myotonic dystrophy type 1 | | Descriptor: | 4-carbamimidamidophenyl 4-carbamimidamidobenzoate, RNA (5'-R(*GP*AP*CP*AP*GP*CP*UP*GP*CP*UP*GP*UP*C)-3') | | Authors: | Chen, J.L, Taghavi, A, Disney, M.D, Fountain, M.A, Childs-Disney, J.L. | | Deposit date: | 2024-07-18 | | Release date: | 2024-08-07 | | Method: | SOLUTION NMR | | Cite: | Structures of small molecules bound to RNA repeat expansions that cause Huntington's disease-like 2 and myotonic dystrophy type 1.
Bioorg.Med.Chem.Lett., 2024
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9CPD
 | | Structures of small molecules bound to RNA repeat expansions that cause Huntington's disease-like 2 and myotonic dystrophy type 1 | | Descriptor: | 4-[(3-methoxyphenyl)amino]-2-methylquinoline-6-carboximidamide, RNA (5'-R(*GP*AP*CP*AP*GP*CP*UP*GP*CP*UP*GP*UP*C)-3') | | Authors: | Chen, J.L, Taghavi, A, Disney, M.D, Fountain, M.A, Childs-Disney, J.L. | | Deposit date: | 2024-07-18 | | Release date: | 2024-08-07 | | Last modified: | 2024-08-14 | | Method: | SOLUTION NMR | | Cite: | NMR structures of small molecules bound to a model of a CUG RNA repeat expansion.
Bioorg.Med.Chem.Lett., 111, 2024
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9CMI
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9CK0
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9CJ0
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9CE9
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9CBM
 | | Cryo-EM structure of dexmedetomidine-bound alpha-2A-adrenergic receptor in complex with heterotrimeric Gi-protein | | Descriptor: | 4-[(1~{S})-1-(2,3-dimethylphenyl)ethyl]-1~{H}-imidazole, Endolysin,Alpha-2A adrenergic receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | Authors: | Lou, J.S, Su, M, Wang, J, Do, H.N, Miao, Y, Huang, X.Y. | | Deposit date: | 2024-06-19 | | Release date: | 2024-09-11 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Distinct binding conformations of epinephrine with alpha- and beta-adrenergic receptors.
Exp.Mol.Med., 2024
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9CBL
 | | Cryo-EM structure of epinephrine-bound alpha-2A-adrenergic receptor in complex with heterotrimeric Gi-protein | | Descriptor: | Endolysin,Alpha-2A adrenergic receptor, 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: | Lou, J.S, Su, M, Wang, J, Do, H.N, Miao, Y, Huang, X.Y. | | Deposit date: | 2024-06-19 | | Release date: | 2024-09-11 | | Method: | ELECTRON MICROSCOPY (2.8 Å) | | Cite: | Distinct binding conformations of epinephrine with alpha- and beta-adrenergic receptors.
Exp.Mol.Med., 2024
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9CAI
 | | High-resolution C. elegans 80S ribosome structure - class 2 | | Descriptor: | 18S rRNA, 28S rRNA, 4-{(2R)-2-[(1S,3S,5S)-3,5-dimethyl-2-oxocyclohexyl]-2-hydroxyethyl}piperidine-2,6-dione, ... | | Authors: | Sehgal, E, Serrao, V.H.B, Arribere, J. | | Deposit date: | 2024-06-17 | | Release date: | 2024-09-11 | | Method: | ELECTRON MICROSCOPY (2.59 Å) | | Cite: | High-Resolution Reconstruction of a C. elegans Ribosome Sheds Light on Evolutionary Dynamics and Tissue Specificity.
Rna, 2024
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9C8U
 | | Human PRC2 - RvLEAM (short) (1:6 molar ratio), cross-linked 10 min | | Descriptor: | Isoform 2 of Histone-lysine N-methyltransferase EZH2, Polycomb protein EED, Polycomb protein SUZ12, ... | | Authors: | Abe, K.M, Li, G, He, Q, Grant, T, Lim, C. | | Deposit date: | 2024-06-13 | | Release date: | 2024-09-04 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Human PRC2 - RvLEAM (short) (1:6 molar ratio), cross-linked 10 min
To Be Published
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9C89
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9C81
 | | X-ray crystal structure of AmpC beta-lactamase with inhibitor | | Descriptor: | (2R)-2-phenoxy-3-{[(1S,2S,4S)-spiro[bicyclo[2.2.1]heptane-7,1'-cyclopropane]-2-carbonyl]amino}propanoic acid, AmpC Beta-lactamase | | Authors: | Liu, F, Shoichet, B.K, Bassim, V. | | Deposit date: | 2024-06-11 | | Release date: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Improved correlations with score, hit-rate, and affinity as docking library and testing scale increase
To Be Published
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9C7V
 | | Structure of the human BOS:human EMC complex in GDN | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BOS complex subunit NOMO2, ... | | Authors: | Nguyen, V.N, Tomaleri, G.P, Voorhees, R.M. | | Deposit date: | 2024-06-11 | | Release date: | 2024-08-21 | | Last modified: | 2024-09-04 | | Method: | ELECTRON MICROSCOPY (6.6 Å) | | Cite: | Role of a holo-insertase complex in the biogenesis of biophysically diverse ER membrane proteins.
Mol.Cell, 2024
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9C7U
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