8VPO
 
 | | X-Ray Crystal Structure of TigE from Paramaledivibacter caminithermalis | | Descriptor: | GLYCEROL, IRON/SULFUR CLUSTER, Radical SAM core domain-containing protein | | Authors: | Grove, T.L, Lachowicz, J.C, Zizola, C. | | Deposit date: | 2024-01-16 | | Release date: | 2024-02-07 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.66 Å) | | Cite: | Structural, Biochemical, and Bioinformatic Basis for Identifying Radical SAM Cyclopropyl Synthases.
Acs Chem.Biol., 19, 2024
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8TLW
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8TLV
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8V2Y
 | | Room temperature X-ray Crystal Structure of FMN-bound long-chain flavodoxin from Rhodopseudomonas palustris | | Descriptor: | FLAVIN MONONUCLEOTIDE, Flavodoxin | | Authors: | Ansari, A, Khan, S.A, Miller, A.F. | | Deposit date: | 2023-11-24 | | Release date: | 2024-03-13 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.86 Å) | | Cite: | Structure, dynamics, and redox reactivity of an all-purpose flavodoxin.
J.Biol.Chem., 300, 2024
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8VRI
 | | E. coli peptidyl-prolyl cis-trans isomerase containing difluoro-leucines | | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, NONAETHYLENE GLYCOL, ... | | Authors: | Frkic, R.L, Jackson, C.J. | | Deposit date: | 2024-01-22 | | Release date: | 2024-05-22 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Conformational Preferences of the Non-Canonical Amino Acids (2 S ,4 S )-5-Fluoroleucine, (2 S ,4 R )-5-Fluoroleucine, and 5,5'-Difluoroleucine in a Protein.
Biochemistry, 63, 2024
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8WWX
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8VJP
 | | Histidine-covalent stapled alpha-helical peptide (155H1) targeting hMcl-1 | | Descriptor: | (4Z)-oct-4-en-1-ol, (S~1~R)-3-carbamoyl-4-methoxybenzene-1-sulfinic acid, Histidine-covalent stapled alpha-helical peptide, ... | | Authors: | Muzzarelli, K.M, Assar, Z, Alboreggia, G, Pellecchia, M. | | Deposit date: | 2024-01-07 | | Release date: | 2024-05-15 | | Last modified: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (1.13 Å) | | Cite: | Histidine-Covalent Stapled Alpha-Helical Peptides Targeting hMcl-1.
J.Med.Chem., 67, 2024
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8Y4Z
 | | Monomeric HERC5 HECT c-lobe structure in solution | | Descriptor: | E3 ISG15--protein ligase HERC5 | | Authors: | Dag, C, Lambert, M, Kahraman, K, Lohn, F, Lee, W, Gocenler, O, Guntert, P, Dotsch, V. | | Deposit date: | 2024-01-31 | | Release date: | 2024-02-14 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Monomeric HERC5 HECT c-lobe structure in solution
To Be Published
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8X1H
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8UTX
 | | Solution structure of a 12-mer peptide bearing a bicyclic Asx motif mimic (BAMM) as a synthetic N-cap | | Descriptor: | 1,3,5-tris(bromomethyl)benzene, TRP-CYS-ASP-ALA-ALA-CYS-CYS-ALA-ALA-ALA-LYS-ALA-NH2 peptide | | Authors: | Mi, T.X, Burgess, K. | | Deposit date: | 2023-10-31 | | Release date: | 2024-06-05 | | Method: | SOLUTION NMR | | Cite: | Bioinformatics leading to conveniently accessible, helix enforcing, bicyclic ASX motif mimics (BAMMs).
Nat Commun, 15, 2024
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8X40
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8X3N
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5FSL
 | | MTH1 substrate recognition: Complex with a methylaminopurinone | | Descriptor: | 7,8-DIHYDRO-8-OXOGUANINE TRIPHOSPHATASE, 9-METHYL-2-(METHYLAMINO)-1H-PURIN-6-ONE, SULFATE ION | | Authors: | Nissink, J.W.M, Bista, M, Breed, J, Carter, N, Embrey, K, Read, J, Phillips, C, Winter, J.J. | | Deposit date: | 2016-01-06 | | Release date: | 2016-07-20 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.24 Å) | | Cite: | Mth1 Substrate Recognition--an Example of Specific Promiscuity.
Plos One, 11, 2016
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5FSO
 | | MTH1 substrate recognition: Complex with a methylaminopyrimidinedione. | | Descriptor: | 6-(METHYLAMINO)-1H-PYRIMIDINE-2,4-DIONE, 7,8-DIHYDRO-8-OXOGUANINE TRIPHOSPHATASE, ACETATE ION, ... | | Authors: | Nissink, J.W.M, Bista, M, Breed, J, Carter, N, Embrey, K, Read, J, Phillips, C, Winter, J.J. | | Deposit date: | 2016-01-06 | | Release date: | 2017-01-18 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.67 Å) | | Cite: | MTH1 Substrate Recognition--An Example of Specific Promiscuity.
PLoS ONE, 11, 2016
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5FSN
 | | MTH1 substrate recognition: Complex with a aminomethylpyrimidinyl oxypropanol. | | Descriptor: | 3-(2-AMINO-6-METHYL-PYRIMIDIN-4-YL)OXYPROPAN-1-OL, 7,8-DIHYDRO-8-OXOGUANINE TRIPHOSPHATASE, ACETATE ION, ... | | Authors: | Nissink, J.W.M, Bista, M, Breed, J, Carter, N, Embrey, K, Read, J, Phillips, C, Winter, J.J. | | Deposit date: | 2016-01-06 | | Release date: | 2016-07-20 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.69 Å) | | Cite: | Mth1 Substrate Recognition--an Example of Specific Promiscuity.
Plos One, 11, 2016
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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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5EJ0
 | | The vaccinia virus H3 envelope protein, a major target of neutralizing antibodies, exhibits a glycosyltransferase fold and binds UDP-Glucose | | Descriptor: | 1,2-ETHANEDIOL, 1,3-PROPANDIOL, 2-(2-METHOXYETHOXY)ETHANOL, ... | | Authors: | Singh, K, Gittis, A.G, Gitti, R.K, Ostazesky, S.A, Su, H.P, Garboczi, D.N. | | Deposit date: | 2015-10-30 | | Release date: | 2016-03-16 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | The Vaccinia Virus H3 Envelope Protein, a Major Target of Neutralizing Antibodies, Exhibits a Glycosyltransferase Fold and Binds UDP-Glucose.
J.Virol., 90, 2016
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5EH6
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5EH4
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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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