7XS8
 
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7XSA
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7XSB
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7XSC
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5TPG
 | | Optimization of spirocyclic proline tryptophanhydroxylase-1 inhibitors | | Descriptor: | (3S)-8-(2-amino-6-{(1R)-1-[5-chloro-3'-(methylsulfonyl)[1,1'-biphenyl]-2-yl]-2,2,2-trifluoroethoxy}pyrimidin-4-yl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETONITRILE, ... | | Authors: | Stein, A.J, Goldberg, D.R, De Lombaert, S, Holt, M.C. | | Deposit date: | 2016-10-20 | | Release date: | 2017-01-25 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Optimization of spirocyclic proline tryptophan hydroxylase-1 inhibitors.
Bioorg. Med. Chem. Lett., 27, 2017
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5UNI
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5UFG
 | | Crystal Structure of CYP2B6 (Y226H/K262R/I114V) in complex with myrtenyl bromide | | Descriptor: | (1S,5R)-2-(bromomethyl)-6,6-dimethylbicyclo[3.1.1]hept-2-ene, 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, Cytochrome P450 2B6, ... | | Authors: | Shah, M.B, Halpert, J.R. | | Deposit date: | 2017-01-04 | | Release date: | 2017-04-12 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | Halogen-pi Interactions in the Cytochrome P450 Active Site: Structural Insights into Human CYP2B6 Substrate Selectivity.
ACS Chem. Biol., 12, 2017
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5UEC
 | | Crystal Structure of CYP2B6 (Y226H/K262R) in complex with myrtenyl bromide. | | Descriptor: | (1S,5R)-2-(bromomethyl)-6,6-dimethylbicyclo[3.1.1]hept-2-ene, 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, Cytochrome P450 2B6, ... | | Authors: | Shah, M.B, Halpert, J.R. | | Deposit date: | 2016-12-30 | | Release date: | 2017-04-12 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.27 Å) | | Cite: | Halogen-pi Interactions in the Cytochrome P450 Active Site: Structural Insights into Human CYP2B6 Substrate Selectivity.
ACS Chem. Biol., 12, 2017
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5UAP
 | | Crystal Structure of CYP2B6 (Y226H/K262R) in complex with Bornyl Bromide | | Descriptor: | (1R,2R,4R)-2-bromo-1,7,7-trimethylbicyclo[2.2.1]heptane, 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, Cytochrome P450 2B6, ... | | Authors: | Shah, M.B, Halpert, J.R. | | Deposit date: | 2016-12-19 | | Release date: | 2017-04-12 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.03 Å) | | Cite: | Halogen-pi Interactions in the Cytochrome P450 Active Site: Structural Insights into Human CYP2B6 Substrate Selectivity.
ACS Chem. Biol., 12, 2017
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3HGG
 | | Crystal Structure of CmeR Bound to Cholic Acid | | Descriptor: | CHOLIC ACID, CmeR | | Authors: | Routh, M.D, Yang, F. | | Deposit date: | 2009-05-13 | | Release date: | 2010-06-30 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.57 Å) | | Cite: | Structural basis for anionic ligand recognition by multidrug
binding proteins: Crystal structures of CmeR-bile acid complexes
To be Published
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2LUQ
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3HGY
 | | Crystal Structure of CmeR Bound to Taurocholic Acid | | Descriptor: | CmeR, TAUROCHOLIC ACID | | Authors: | Routh, M.D, Yang, F. | | Deposit date: | 2009-05-14 | | Release date: | 2010-06-30 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.416 Å) | | Cite: | Structural basis for anionic ligand recognition by multidrug
binding proteins: crystal structures of CmeR-bile acid complexes
To be Published
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2M2J
 | | Solution NMR structure of the N-terminal domain of STM1478 from Salmonella typhimurium LT2: Target STR147A of the Northeast Structural Genomics consortium (NESG), and APC101565 of the Midwest Center for Structural Genomics (MCSG). | | Descriptor: | Putative periplasmic protein | | Authors: | Houliston, S, Yee, A, Lemak, A, Garcia, M, Wu, B, Savchenko, A, Montelione, G.T, Arrowsmith, C, Northeast Structural Genomics Consortium (NESG), Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2012-12-21 | | Release date: | 2013-05-08 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Structural and Functional Characterization of DUF1471 Domains of Salmonella Proteins SrfN, YdgH/SssB, and YahO.
Plos One, 9, 2014
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2MA8
 | | Solution NMR Structure of Salmonella typhimurium LT2 Secreted Protein SrfN: Northeast Structural Genomics Consortium Target StR109 | | Descriptor: | Putative secreted protein | | Authors: | Cort, J.R, Eletsky, A, Adkins, J.N, Burnet, M.C, Parish, D, Liu, K, Sukumaran, D.K, Jiang, M, Cunningham, K, Ma, T, Xiao, R, Rost, B, Montelione, G.T, Szyperski, T, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2013-06-29 | | Release date: | 2013-09-04 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Structural and Functional Characterization of DUF1471 Domains of Salmonella Proteins SrfN, YdgH/SssB, and YahO.
Plos One, 9, 2014
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9B9L
 | | RPRD1B C-terminal interacting domain bound to a pThr4 CTD peptide | | Descriptor: | Regulation of nuclear pre-mRNA domain-containing protein 1B, SER-PRO-THR-SER-PRO-SER-TYR-SER-PRO-TPO-SER-PRO-SER-TYR-SER | | Authors: | Moreno, R.Y, Zhang, Y.J. | | Deposit date: | 2024-04-02 | | Release date: | 2024-08-07 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Thr4 phosphorylation primes Ser2 phosphorylation on RNA polymerase II and mediates regulation in elongation and 3'end processing
To Be Published
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7PT0
 | | SCO3201 with putative ligand | | Descriptor: | SPERMIDINE, TetR family transcriptional regulator | | Authors: | Werten, S, Palm, G.J, Hinrichs, W. | | Deposit date: | 2021-09-25 | | Release date: | 2021-10-20 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | Crystal structures of free and ligand-bound forms of the TetR/AcrR-like regulator SCO3201 from Streptomyces coelicolor suggest a novel allosteric mechanism.
Febs J., 290, 2023
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8GRR
 | | Complex of FMDV A/WH/CHA/09 and bovine neutralizing scFv antibody W125 | | Descriptor: | A/WH/CHA/09 VP1, A/WH/CHA/09 VP2, A/WH/CHA/09 VP3, ... | | Authors: | He, Y, Kun, L. | | Deposit date: | 2022-09-02 | | Release date: | 2023-10-11 | | Last modified: | 2024-10-16 | | Method: | ELECTRON MICROSCOPY (3.72 Å) | | Cite: | Conserved antigen structures and antibody-driven variations on foot-and-mouth disease virus serotype A revealed by bovine neutralizing monoclonal antibodies.
Plos Pathog., 19, 2023
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8GSP
 | | Complex of FMDV A/WH/CHA/09 and bovine neutralizing scFv antibody W2 | | Descriptor: | A/WH/CHA/09 VP1, A/WH/CHA/09 VP2, A/WH/CHA/09 VP3, ... | | Authors: | He, Y, Li, K. | | Deposit date: | 2022-09-06 | | Release date: | 2023-10-11 | | Last modified: | 2023-12-06 | | Method: | ELECTRON MICROSCOPY (3.75 Å) | | Cite: | Conserved antigen structures and antibody-driven variations on foot-and-mouth disease virus serotype A revealed by bovine neutralizing monoclonal antibodies.
Plos Pathog., 19, 2023
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5E0E
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5EM4
 | | Structure of CYP2B4 F244W in a ligand free conformation | | Descriptor: | 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, Cytochrome P450 2B4, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Shah, M.B, Stout, C.D, Halpert, J.R. | | Deposit date: | 2015-11-05 | | Release date: | 2016-03-23 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (3.02 Å) | | Cite: | Coumarin Derivatives as Substrate Probes of Mammalian Cytochromes P450 2B4 and 2B6: Assessing the Importance of 7-Alkoxy Chain Length, Halogen Substitution, and Non-Active Site Mutations.
Biochemistry, 55, 2016
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7XMS
 | | CryoEM structure of somatostatin receptor 4 (SSTR4) in complex with Gi1 and its endogeneous ligand SST-14 | | 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(i) subunit alpha-1, ... | | Authors: | Wenli, Z, Shuo, H, Na, Q, Wenbo, Z, Mengjie, L, Dehua, Y, Ming-Wei, W, Wu, B, Zhao, Q. | | Deposit date: | 2022-04-26 | | Release date: | 2022-08-03 | | Last modified: | 2022-08-17 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Structural insights into ligand recognition and selectivity of somatostatin receptors.
Cell Res., 32, 2022
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7XMR
 | | CryoEM structure of the somatostatin receptor 2 (SSTR2) in complex with Gi1 and its endogeneous peptide ligand SST-14 | | 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(i) subunit alpha-1, ... | | Authors: | Wenli, Z, Shuo, H, Na, Q, Wenbo, Z, Mengjie, L, Dehua, Y, Ming-Wei, W, Wu, B, Zhao, Q. | | Deposit date: | 2022-04-26 | | Release date: | 2022-08-03 | | Last modified: | 2024-10-09 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Structural insights into ligand recognition and selectivity of somatostatin receptors.
Cell Res., 32, 2022
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7XMT
 | | CryoEM structure of somatostatin receptor 4 (SSTR4) with Gi1 and J-2156 | | Descriptor: | (2~{S})-2-[[(2~{S})-4-azanyl-2-[(4-methylnaphthalen-1-yl)sulfonylamino]butanoyl]amino]-3-phenyl-propanimidic acid, 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: | Wenli, Z, Shuo, H, Na, Q, Wenbo, Z, Mengjie, L, Dehua, Y, Ming-Wei, W, Wu, B, Zhao, Q. | | Deposit date: | 2022-04-26 | | Release date: | 2022-08-03 | | Last modified: | 2024-10-09 | | Method: | ELECTRON MICROSCOPY (2.8 Å) | | Cite: | Structural insights into ligand recognition and selectivity of somatostatin receptors.
Cell Res., 32, 2022
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5E58
 | | Crystal Structure Of Cytochrome P450 2B35 from Desert Woodrat Neotoma Lepida in complex with 4-(4-chlorophenyl)imidazole | | Descriptor: | 4-(4-CHLOROPHENYL)IMIDAZOLE, 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, Cytochrome P450 family 2 subfamily B, ... | | Authors: | Shah, M.B, Stout, C.D, Halpert, J.R. | | Deposit date: | 2015-10-08 | | Release date: | 2016-02-10 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structure-Function Analysis of Mammalian CYP2B Enzymes Using 7-Substituted Coumarin Derivatives as Probes: Utility of Crystal Structures and Molecular Modeling in Understanding Xenobiotic Metabolism.
Mol.Pharmacol., 89, 2016
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5H3W
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