5KE3
| Crystal structure of SETDB1 Tudor domain in complex with fragment MRT0181a | Descriptor: | (S)-N-(furan-2-ylmethyl)-1-(1,2,3,4-tetrahydroisoquinoline-3-carbonyl)piperidine-4-carboxamide, BETA-MERCAPTOETHANOL, Histone-lysine N-methyltransferase SETDB1, ... | Authors: | Dong, A, Iqbal, A, Mader, P, Dobrovetsky, E, Ferreira de Freitas, R, Walker, J.R, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Schapira, M, Brown, P.J, Structural Genomics Consortium (SGC) | Deposit date: | 2016-06-09 | Release date: | 2016-08-03 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystal structure of SETDB1 Tudor domain in complex with fragment MRT0181a to be published
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5QT1
| PanDDA analysis group deposition -- Partial occupancy interpretation of PanDDA event map: SETDB1 in complex with FMOMB000017a | Descriptor: | 1,2-ETHANEDIOL, 1-(4-amino-2-hydroxyphenyl)ethan-1-one, DIMETHYL SULFOXIDE, ... | Authors: | Harding, R.J, Tempel, W, DOUANGAMATH, A, BRANDAO-NETO, J, Collins, P.M, Krojer, T, Mader, P, Schapira, M, von Delft, F, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Santhakumar, V. | Deposit date: | 2019-06-25 | Release date: | 2019-08-21 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | PanDDA analysis group deposition To Be Published
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5QT2
| PanDDA analysis group deposition -- Partial occupancy interpretation of PanDDA event map: SETDB1 in complex with FMOPL000074a | Descriptor: | 1,2-ETHANEDIOL, 2-[4-(1~{H}-pyrazol-3-yl)phenoxy]pyrimidine, DIMETHYL SULFOXIDE, ... | Authors: | Harding, R.J, Tempel, W, DOUANGAMATH, A, BRANDAO-NETO, J, Collins, P.M, Krojer, T, Mader, P, Schapira, M, von Delft, F, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Santhakumar, V. | Deposit date: | 2019-06-25 | Release date: | 2019-08-21 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.59 Å) | Cite: | PanDDA analysis group deposition To Be Published
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6GSZ
| Crystal structure of native alfa-L-rhamnosidase from Aspergillus terreus | Descriptor: | (2R,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL, 1,2-ETHANEDIOL, 2-(2-METHOXYETHOXY)ETHANOL, ... | Authors: | Pachl, P, Rezacova, P, Skerlova, J. | Deposit date: | 2018-06-15 | Release date: | 2018-11-14 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.38 Å) | Cite: | Crystal structure of native alpha-L-rhamnosidase from Aspergillus terreus. Acta Crystallogr D Struct Biol, 74, 2018
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6UUO
| Crystal structure of BRAF kinase domain bound to the PROTAC P4B | Descriptor: | N-(3-{5-[(1-acetylpiperidin-4-yl)(methyl)amino]-3-(pyrimidin-5-yl)-1H-pyrrolo[3,2-b]pyridin-1-yl}-2,4-difluorophenyl)propane-1-sulfonamide, Serine/threonine-protein kinase B-raf | Authors: | Maisonneuve, P, Posternak, G, Kurinov, I, Sicheri, F. | Deposit date: | 2019-10-30 | Release date: | 2020-06-03 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (3.288 Å) | Cite: | Functional characterization of a PROTAC directed against BRAF mutant V600E. Nat.Chem.Biol., 16, 2020
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7U3G
| GID4 in complex with compound 67 | Descriptor: | (1R)-1-phenyl-1,2,3,4-tetrahydroisoquinolin-5-amine, Glucose-induced degradation protein 4 homolog | Authors: | Chana, C.K, Sicheri, F. | Deposit date: | 2022-02-27 | Release date: | 2022-10-05 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.244 Å) | Cite: | Discovery and Structural Characterization of Small Molecule Binders of the Human CTLH E3 Ligase Subunit GID4. J.Med.Chem., 65, 2022
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7U3K
| GID4 in complex with compound 89 | Descriptor: | GLYCEROL, Glucose-induced degradation protein 4 homolog, N-butylglycyl-4-tert-butyl-D-phenylalanyl-3-methoxy-N-methyl-L-phenylalaninamide | Authors: | Chana, C.K, Sicheri, F. | Deposit date: | 2022-02-27 | Release date: | 2022-10-05 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.198 Å) | Cite: | Discovery and Structural Characterization of Small Molecule Binders of the Human CTLH E3 Ligase Subunit GID4. J.Med.Chem., 65, 2022
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7U3I
| GID4 in complex with compound 16 | Descriptor: | 3-{[(5S)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]amino}phenol, GLYCEROL, Glucose-induced degradation protein 4 homolog | Authors: | Chana, C.K, Sicheri, F. | Deposit date: | 2022-02-27 | Release date: | 2022-10-05 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.991 Å) | Cite: | Discovery and Structural Characterization of Small Molecule Binders of the Human CTLH E3 Ligase Subunit GID4. J.Med.Chem., 65, 2022
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7U3J
| GID4 in complex with compound 88 | Descriptor: | (2S)-2-{[(2S)-2-({N-[(2,4-dimethoxyphenyl)methyl]glycyl}amino)-2-(thiophen-2-yl)acetyl]amino}-N-methyl-4-phenylbutanamide, GLYCEROL, Glucose-induced degradation protein 4 homolog | Authors: | Chana, C.K, Sicheri, F. | Deposit date: | 2022-02-27 | Release date: | 2022-10-05 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.642 Å) | Cite: | Discovery and Structural Characterization of Small Molecule Binders of the Human CTLH E3 Ligase Subunit GID4. J.Med.Chem., 65, 2022
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7U3E
| GID4 in complex with compound 1 | Descriptor: | Glucose-induced degradation protein 4 homolog, tert-butyl (1S,4S)-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate | Authors: | Chana, C.K, Sicheri, F. | Deposit date: | 2022-02-27 | Release date: | 2022-10-05 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.852 Å) | Cite: | Discovery and Structural Characterization of Small Molecule Binders of the Human CTLH E3 Ligase Subunit GID4. J.Med.Chem., 65, 2022
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7U3F
| GID4 in complex with compound 4 | Descriptor: | (4R)-4-(4-methoxyphenyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine, GLYCEROL, Glucose-induced degradation protein 4 homolog | Authors: | Chana, C.K, Sicheri, F. | Deposit date: | 2022-02-27 | Release date: | 2022-10-05 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Discovery and Structural Characterization of Small Molecule Binders of the Human CTLH E3 Ligase Subunit GID4. J.Med.Chem., 65, 2022
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7U3H
| GID4 in complex with compound 7 | Descriptor: | (5R)-N-(4-fluorophenyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine, Glucose-induced degradation protein 4 homolog | Authors: | Chana, C.K, Sicheri, F. | Deposit date: | 2022-02-27 | Release date: | 2022-10-05 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.798 Å) | Cite: | Discovery and Structural Characterization of Small Molecule Binders of the Human CTLH E3 Ligase Subunit GID4. J.Med.Chem., 65, 2022
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7U3L
| GID4 in complex with compound 91 | Descriptor: | GLYCEROL, Glucose-induced degradation protein 4 homolog, Nalpha-{(2R,4E)-2-[(N-benzylglycyl)amino]-5-phenylpent-4-enoyl}-N,4-dimethyl-L-phenylalaninamide | Authors: | Chana, C.K, Sicheri, F. | Deposit date: | 2022-02-27 | Release date: | 2022-10-05 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.295 Å) | Cite: | Discovery and Structural Characterization of Small Molecule Binders of the Human CTLH E3 Ligase Subunit GID4. J.Med.Chem., 65, 2022
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