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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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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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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5ULA
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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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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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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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6KZK
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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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7T0B
 | | Cryptococcus neoformans protein farnesyltransferase in complex with FPP and inhibitor 2g | | Descriptor: | (2R)-3-(cyclohexylamino)-2-hydroxypropane-1-sulfonic acid, (5S)-5-butyl-4-({1-[(4-fluorophenyl)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 (2.026 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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7T0E
 | | Cryptococcus neoformans protein farnesyltransferase in complex with FPP and inhibitor 2b | | Descriptor: | (2R)-3-(cyclohexylamino)-2-hydroxypropane-1-sulfonic acid, (5S)-4-({1-[(4-bromophenyl)methyl]-1H-imidazol-5-yl}methyl)-5-butyl-1-(3-chlorophenyl)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 (2.223 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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7T09
 | | Cryptococcus neoformans protein farnesyltransferase in complex with FPP and inhibitor 2d | | Descriptor: | (2R)-3-(cyclohexylamino)-2-hydroxypropane-1-sulfonic acid, 1,2-ETHANEDIOL, 4-{[5-({(2S)-2-butyl-5-oxo-4-[3-(trifluoromethoxy)phenyl]piperazin-1-yl}methyl)-1H-imidazol-1-yl]methyl}benzonitrile, ... | | 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 (1.984 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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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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7T0D
 | | Cryptococcus neoformans protein farnesyltransferase in complex with FPP and inhibitor 2k | | Descriptor: | (2R)-3-(cyclohexylamino)-2-hydroxypropane-1-sulfonic acid, (5S)-4-({1-[(4-bromophenyl)methyl]-1H-imidazol-5-yl}methyl)-5-propyl-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 (1.906 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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7T08
 | | Cryptococcus neoformans protein farnesyltransferase in complex with FPP and inhibitor 2q | | Descriptor: | (2R)-3-(cyclohexylamino)-2-hydroxypropane-1-sulfonic acid, 1,2-ETHANEDIOL, 4-{[5-({(2S)-2-butyl-5-oxo-4-[3-(trifluoromethoxy)phenyl]piperazin-1-yl}methyl)-1H-imidazol-1-yl]methyl}-2-fluorobenzonitrile, ... | | 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 (1.803 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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7T0A
 | | Cryptococcus neoformans protein farnesyltransferase co-crystallized with FPP and inhibitor 2f | | Descriptor: | (2R)-3-(cyclohexylamino)-2-hydroxypropane-1-sulfonic acid, (5S)-4-({1-[(4-bromophenyl)methyl]-1H-imidazol-5-yl}methyl)-5-butyl-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 (2.099 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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8GZO
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7K6O
 | | Crystal structure of PI3Kalpha inhibitor 10-5429 | | Descriptor: | (3S)-3-[4-(2-aminopyrimidin-5-yl)-2-(morpholin-4-yl)-5,6-dihydro-7H-pyrrolo[2,3-d]pyrimidin-7-yl]-N-methylpyrrolidine-1-sulfonamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | | Authors: | Chen, P, Brooun, A, Deng, Y.L, Grodsky, N, Kaiser, S.E. | | Deposit date: | 2020-09-21 | | Release date: | 2021-01-06 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.738 Å) | | Cite: | Structure-Based Drug Design and Synthesis of PI3K alpha-Selective Inhibitor (PF-06843195).
J.Med.Chem., 64, 2021
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7K71
 | | Crystal structure of PI3Kalpha inhibitor 4-0686 | | Descriptor: | 2-(morpholin-4-yl)[4,5'-bipyrimidin]-2'-amine, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | | Authors: | Chen, P, Brooun, A, Deng, Y.L, Grodsky, N, Kaiser, S.E. | | Deposit date: | 2020-09-21 | | Release date: | 2021-01-06 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Structure-Based Drug Design and Synthesis of PI3K alpha-Selective Inhibitor (PF-06843195).
J.Med.Chem., 64, 2021
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7K6N
 | | Crystal structure of PI3Kalpha selective Inhibitor 11-1575 | | Descriptor: | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform, tert-butyl (3S)-3-[4-(2-aminopyrimidin-5-yl)-2-(morpholin-4-yl)-5,6-dihydro-7H-pyrrolo[2,3-d]pyrimidin-7-yl]-3-methylpyrrolidine-1-carboxylate | | Authors: | Chen, P, Brooun, A, Deng, Y.L, Grodsky, N, Kaiser, S.E. | | Deposit date: | 2020-09-21 | | Release date: | 2021-01-06 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.77 Å) | | Cite: | Structure-Based Drug Design and Synthesis of PI3K alpha-Selective Inhibitor (PF-06843195).
J.Med.Chem., 64, 2021
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7K6M
 | | Crystal structure of PI3Kalpha selective Inhibitor PF-06843195 | | Descriptor: | 2,2-difluoroethyl (3S)-3-{[2'-amino-5-fluoro-2-(morpholin-4-yl)[4,5'-bipyrimidin]-6-yl]amino}-3-(hydroxymethyl)pyrrolidine-1-carboxylate, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | | Authors: | Chen, P, Brooun, A, Deng, Y.L, Grodsky, N, Kaiser, S.E. | | Deposit date: | 2020-09-21 | | Release date: | 2021-01-06 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.413 Å) | | Cite: | Structure-Based Drug Design and Synthesis of PI3K alpha-Selective Inhibitor (PF-06843195).
J.Med.Chem., 64, 2021
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4GHU
 | | Crystal structure of TRAF3/Cardif | | Descriptor: | Mitochondrial antiviral-signaling protein, TNF receptor-associated factor 3 | | Authors: | Zhang, P. | | Deposit date: | 2012-08-08 | | Release date: | 2012-11-28 | | Method: | X-RAY DIFFRACTION (2.199 Å) | | Cite: | Single Amino Acid Substitutions Confer the Antiviral Activity of the TRAF3 Adaptor Protein onto TRAF5
Sci.Signal., 5, 2012
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