6DL2
 
 | | BRD4 bromodomain 1 in complex with HYB157 | | Descriptor: | 1,2-ETHANEDIOL, 3-benzyl-2,9-dimethyl-4H,6H-thieno[2,3-e][1,2,4]triazolo[3,4-c][1,4]oxazepine, Bromodomain-containing protein 4 | | Authors: | Meagher, J.L, Stuckey, J.A. | | Deposit date: | 2018-05-31 | | Release date: | 2019-04-17 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.47 Å) | | Cite: | Discovery of QCA570 as an Exceptionally Potent and Efficacious Proteolysis Targeting Chimera (PROTAC) Degrader of the Bromodomain and Extra-Terminal (BET) Proteins Capable of Inducing Complete and Durable Tumor Regression.
J. Med. Chem., 61, 2018
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8E9E
 | | Rat protein farnesyltransferase in complex with FPP and inhibitor 2f | | Descriptor: | (5S)-4-({1-[(4-bromophenyl)methyl]-1H-imidazol-5-yl}methyl)-5-butyl-1-[3-(trifluoromethoxy)phenyl]piperazin-2-one, 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ... | | Authors: | Wang, Y, Shi, Y, Beese, L.S. | | Deposit date: | 2022-08-26 | | Release date: | 2022-10-26 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.844 Å) | | Cite: | Structure-Guided Discovery of Potent Antifungals that Prevent Ras Signaling by Inhibiting Protein Farnesyltransferase.
J.Med.Chem., 65, 2022
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7Y1F
 | | Cryo-EM structure of human k-opioid receptor-Gi complex | | Descriptor: | Dynorphin, 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: | Chen, B.O, Xu, F.E. | | Deposit date: | 2022-06-08 | | Release date: | 2023-05-24 | | Last modified: | 2023-06-21 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Cryo-EM structure of human kappa-opioid receptor-Gi complex bound to an endogenous agonist dynorphin A.
Protein Cell, 14, 2023
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7LTB
 | | Crystal Structure of Keratinicyclin B | | Descriptor: | (2~{S},4~{S},5~{R},6~{S})-4-azanyl-5-methoxy-6-methyl-oxan-2-ol, 3-ammonio-2,3,6-trideoxy-alpha-L-arabino-hexopyranose-(1-2)-beta-D-glucopyranose, FORMIC ACID, ... | | Authors: | Davis, K.M, Jeffrey, P.D, Seyedsayamdost, M.R. | | Deposit date: | 2021-02-19 | | Release date: | 2022-12-07 | | Last modified: | 2024-07-24 | | Method: | X-RAY DIFFRACTION (0.95 Å) | | Cite: | Potent and specific antibiotic combination therapy against Clostridioides difficile.
Nat.Chem.Biol., 20, 2024
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7LKC
 | | Crystal Structure of Keratinimicin A | | Descriptor: | (2~{S},4~{S},5~{R},6~{S})-4-azanyl-5-methoxy-6-methyl-oxan-2-ol, CHLORIDE ION, FORMIC ACID, ... | | Authors: | Davis, K.M, Jeffrey, P.D, Seyedsayamdost, M.R. | | Deposit date: | 2021-02-02 | | Release date: | 2022-12-07 | | Last modified: | 2024-07-24 | | Method: | X-RAY DIFFRACTION (0.95 Å) | | Cite: | Potent and specific antibiotic combination therapy against Clostridioides difficile.
Nat.Chem.Biol., 20, 2024
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8WMA
 | | Fzd4/DEP complex (local refined) | | Descriptor: | Frizzled-4, Segment polarity protein dishevelled homolog DVL-2 | | Authors: | He, Y, Qian, Y. | | Deposit date: | 2023-10-03 | | Release date: | 2024-09-11 | | Method: | ELECTRON MICROSCOPY (3.47 Å) | | Cite: | Structural basis of Frizzled 4 in recognition of Dishevelled 2 unveils mechanism of WNT signaling activation.
Nat Commun, 15, 2024
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8WM9
 | | Fzd4/DEP complex | | Descriptor: | CHOLESTEROL HEMISUCCINATE, Frizzled-4, Segment polarity protein dishevelled homolog DVL-2 | | Authors: | He, Y, Qian, Y. | | Deposit date: | 2023-10-03 | | Release date: | 2024-09-11 | | Method: | ELECTRON MICROSCOPY (3.53 Å) | | Cite: | Structural basis of Frizzled 4 in recognition of Dishevelled 2 unveils mechanism of WNT signaling activation.
Nat Commun, 15, 2024
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7W7F
 | | Cryo-EM structure of human NaV1.3/beta1/beta2-ICA121431 | | Descriptor: | (3beta,14beta,17beta,25R)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en, 2,2-diphenyl-~{N}-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]ethanamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Jiang, D, Li, X. | | Deposit date: | 2021-12-04 | | Release date: | 2022-04-06 | | Method: | ELECTRON MICROSCOPY (3.35 Å) | | Cite: | Structural basis for modulation of human Na V 1.3 by clinical drug and selective antagonist.
Nat Commun, 13, 2022
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7W77
 | | cryo-EM structure of human NaV1.3/beta1/beta2-bulleyaconitineA | | Descriptor: | (3beta,14beta,17beta,25R)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Jiang, D, Li, X. | | Deposit date: | 2021-12-03 | | Release date: | 2022-04-06 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Structural basis for modulation of human Na V 1.3 by clinical drug and selective antagonist.
Nat Commun, 13, 2022
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6SJ7
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6UD7
 | | Crystal structure of full-length human DCAF15-DDB1(deltaBPB)-DDA1-RBM39 in complex with indisulam | | Descriptor: | DDB1- and CUL4-associated factor 15, DET1- and DDB1-associated protein 1, DNA damage-binding protein 1,DNA damage-binding protein 1, ... | | Authors: | Bussiere, D.E, Shu, W, Xie, L, Knapp, M. | | Deposit date: | 2019-09-18 | | Release date: | 2019-12-18 | | Last modified: | 2020-01-22 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural basis of indisulam-mediated RBM39 recruitment to DCAF15 E3 ligase complex.
Nat.Chem.Biol., 16, 2020
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6UE5
 | | Crystal structure of full-length human DCAF15-DDB1-deltaPBP-DDA1-RBM39 in complex with 4-(aminomethyl)-N-(3-cyano-4-methyl-1H-indol-7-yl)benzenesulfonamide | | Descriptor: | 4-(aminomethyl)-N-(3-cyano-4-methyl-1H-indol-7-yl)benzene-1-sulfonamide, DDB1- and CUL4-associated factor 15, DET1- and DDB1-associated protein 1, ... | | Authors: | Knapp, M.S, Shu, W, Xie, L, Bussiere, D.E. | | Deposit date: | 2019-09-20 | | Release date: | 2019-12-18 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.61 Å) | | Cite: | Structural basis of indisulam-mediated RBM39 recruitment to DCAF15 E3 ligase complex.
Nat.Chem.Biol., 16, 2020
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5XZD
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5YAN
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6KHI
 | | Supercomplex for cylic electron transport in cyanobacteria | | Descriptor: | 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ... | | Authors: | Pan, X, Cao, D, Xie, F, Zhang, X, Li, M. | | Deposit date: | 2019-07-15 | | Release date: | 2020-02-12 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Structural basis for electron transport mechanism of complex I-like photosynthetic NAD(P)H dehydrogenase.
Nat Commun, 11, 2020
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6KZK
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6KCW
 | | Structure of alginate lyase Aly36B | | Descriptor: | Alginate lyase, CALCIUM ION, PHOSPHATE ION | | Authors: | Dong, F, Chen, X.L, Zhang, Y.Z. | | Deposit date: | 2019-06-29 | | Release date: | 2020-06-24 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.28 Å) | | Cite: | Alginate Lyase Aly36B is a New Bacterial Member of the Polysaccharide Lyase Family 36 and Catalyzes by a Novel Mechanism With Lysine as Both the Catalytic Base and Catalytic Acid.
J.Mol.Biol., 431, 2019
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6KHJ
 | | Supercomplex for electron transfer | | Descriptor: | 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ... | | Authors: | Pan, X, Cao, D, Xie, F, Zhang, X, Li, M. | | Deposit date: | 2019-07-15 | | Release date: | 2020-02-12 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Structural basis for electron transport mechanism of complex I-like photosynthetic NAD(P)H dehydrogenase.
Nat Commun, 11, 2020
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6KCV
 | | Structure of alginate lyase Aly36B mutant K143A/Y185A in complex with alginate tetrasaccharide | | Descriptor: | Alginate lyase, CALCIUM ION, beta-D-mannopyranuronic acid-(1-4)-beta-D-mannopyranuronic acid-(1-4)-beta-D-mannopyranuronic acid-(1-4)-beta-D-mannopyranuronic acid | | Authors: | Dong, F, Zhang, Y.Z, Chen, X.L. | | Deposit date: | 2019-06-29 | | Release date: | 2020-06-24 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.282 Å) | | Cite: | Alginate Lyase Aly36B is a New Bacterial Member of the Polysaccharide Lyase Family 36 and Catalyzes by a Novel Mechanism With Lysine as Both the Catalytic Base and Catalytic Acid.
J.Mol.Biol., 431, 2019
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3EII
 | | Zinc-bound glycoside hydrolase 61 E from Thielavia terrestris | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, SULFATE ION, ... | | Authors: | Salbo, R, Welner, D, Lo Leggio, L, Harris, P, McFarland, K. | | Deposit date: | 2008-09-16 | | Release date: | 2009-10-27 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Stimulation of lignocellulosic biomass hydrolysis by proteins of glycoside hydrolase family 61: structure and function of a large, enigmatic family.
Biochemistry, 49, 2010
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3EJA
 | | Magnesium-bound glycoside hydrolase 61 isoform E from Thielavia terrestris | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, MAGNESIUM ION, ... | | Authors: | Salbo, R, Welner, D, Lo Leggio, L, Harris, P, McFarland, K. | | Deposit date: | 2008-09-18 | | Release date: | 2009-10-27 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.902 Å) | | Cite: | Stimulation of lignocellulosic biomass hydrolysis by proteins of glycoside hydrolase family 61: structure and function of a large, enigmatic family.
Biochemistry, 49, 2010
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8HJ0
 | | GPR21(m5) and G15 complex | | Descriptor: | 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, Guanine nucleotide-binding protein G(s) subunit alpha isoforms short, ... | | Authors: | Chen, B, Lin, X. | | Deposit date: | 2022-11-22 | | Release date: | 2023-03-15 | | Method: | ELECTRON MICROSCOPY (3.12 Å) | | Cite: | Cryo-EM structures of orphan GPR21 signaling complexes.
Nat Commun, 14, 2023
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8H0F
 | | Crystal structure of collagen heterotrimer with KD,ER and KE axial pairs | | Descriptor: | collagen-like peptide chain A, collagen-like peptide chain B, collagen-like peptide chain C | | Authors: | Fan, S. | | Deposit date: | 2022-09-28 | | Release date: | 2023-07-12 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.87 Å) | | Cite: | Stability of collagen heterotrimer with same charge pattern and different charged residue identities.
Biophys.J., 122, 2023
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8H0E
 | | Crystal structure of collagen heterotrimer with KD, ER and KE axial pairs | | Descriptor: | collagen-like peptide chain A, collagen-like peptide chain B, collagen-like peptide chain C | | Authors: | Fan, S. | | Deposit date: | 2022-09-28 | | Release date: | 2023-07-12 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | Stability of collagen heterotrimer with same charge pattern and different charged residue identities.
Biophys.J., 122, 2023
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7T0C
 | | Cryptococcus neoformans protein farnesyltransferase in complex with FPP and inhibitor 2e | | Descriptor: | (2R)-3-(cyclohexylamino)-2-hydroxypropane-1-sulfonic acid, (5S)-5-butyl-4-({1-[(4-chlorophenyl)methyl]-1H-imidazol-5-yl}methyl)-1-[3-(trifluoromethoxy)phenyl]piperazin-2-one, 1,2-ETHANEDIOL, ... | | Authors: | Wang, Y, Shi, Y, Beese, L.S. | | Deposit date: | 2021-11-29 | | Release date: | 2022-11-09 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.903 Å) | | Cite: | Structure-Guided Discovery of Potent Antifungals that Prevent Ras Signaling by Inhibiting Protein Farnesyltransferase.
J.Med.Chem., 65, 2022
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