5GRT
 
 | | HUMAN GLUTATHIONE REDUCTASE A34E, R37W MUTANT, GLUTATHIONYLSPERMIDINE COMPLEX | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, GLUTATHIONE REDUCTASE, GLUTATHIONYLSPERMIDINE DISULFIDE | | Authors: | Stoll, V.S, Simpson, S.J, Krauth-Siegel, R.L, Walsh, C.T, Pai, E.F. | | Deposit date: | 1997-02-12 | | Release date: | 1997-08-12 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Glutathione reductase turned into trypanothione reductase: structural analysis of an engineered change in substrate specificity.
Biochemistry, 36, 1997
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5XR8
 | | Crystal structure of the human CB1 in complex with agonist AM841 | | Descriptor: | (6~{a}~{R},9~{R},10~{a}~{R})-9-(hydroxymethyl)-3-(8-isothiocyanato-2-methyl-octan-2-yl)-6,6-dimethyl-6~{a},7,8,9,10,10~{a}-hexahydrobenzo[c]chromen-1-ol, CHOLESTEROL, Cannabinoid receptor 1,Flavodoxin,Cannabinoid receptor 1, ... | | Authors: | Hua, T, Vemuri, K, Nikas, P.S, Laprairie, R.B, Wu, Y, Qu, L, Pu, M, Korde, A, Shan, J, Ho, J.H, Han, G.W, Ding, K, Li, X, Liu, H, Hanson, M.A, Zhao, S, Bohn, L.M, Makriyannis, A, Stevens, R.C, Liu, Z.J. | | Deposit date: | 2017-06-07 | | Release date: | 2017-07-12 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.95 Å) | | Cite: | Crystal structures of agonist-bound human cannabinoid receptor CB1.
Nature, 547, 2017
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7XGR
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2NAX
 | | Structure of CCHC zinc finger domain of Pcf11 | | Descriptor: | Protein PCF11, ZINC ION | | Authors: | Yang, F, Varani, G. | | Deposit date: | 2016-01-12 | | Release date: | 2016-11-23 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | The C terminus of Pcf11 forms a novel zinc-finger structure that plays an essential role in mRNA 3'-end processing.
RNA, 23, 2017
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2PN9
 | | NMR structure of a kissing complex formed between the TAR RNA element of HIV-1 and a LNA modified aptamer | | Descriptor: | 5'-R(*GP*GP*AP*GP*CP*CP*UP*GP*GP*GP*AP*GP*CP*UP*CP*C)-3', RNA 16-mer with locked residues 9-10 | | Authors: | Lebars, I, Richard, T, Di Primo, C, Toulme, J.-J. | | Deposit date: | 2007-04-24 | | Release date: | 2007-10-30 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | NMR structure of a kissing complex formed between the TAR RNA element of HIV-1 and a LNA-modified aptamer
Nucleic Acids Res., 35, 2007
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2MNC
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7PKS
 | | Structural basis of Integrator-mediated transcription regulation | | Descriptor: | DNA Template, DNA-directed RNA polymerase II subunit E, DNA-directed RNA polymerase II subunit F, ... | | Authors: | Fianu, I, Chen, Y, Dienemann, C, Cramer, P. | | Deposit date: | 2021-08-26 | | Release date: | 2021-12-08 | | Last modified: | 2024-10-09 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | Structural basis of Integrator-mediated transcription regulation.
Science, 374, 2021
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7Z2I
 | | TRYPSIN (BOVINE) COMPLEXED WITH compound 4 | | Descriptor: | 5-[[3-(trifluoromethyl)phenyl]methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine, CALCIUM ION, DIMETHYL SULFOXIDE, ... | | Authors: | Schiering, N, Dalvit, C, Vulpetti, A. | | Deposit date: | 2022-02-27 | | Release date: | 2022-05-25 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.09 Å) | | Cite: | Efficient Screening of Target-Specific Selected Compounds in Mixtures by 19 F NMR Binding Assay with Predicted 19 F NMR Chemical Shifts.
Chemmedchem, 17, 2022
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8DYF
 | | IL17A homodimer bound to Compound 10 | | Descriptor: | (5M)-3-[({2-[2-(2-{2-[2-({[(5M)-3-carboxy-5-(5,8-dihydroquinolin-4-yl)phenyl]amino}methyl)phenoxy]ethoxy}ethoxy)ethoxy]phenyl}methyl)amino]-5-(quinolin-4-yl)benzoic acid, Interleukin-17A | | Authors: | Argiriadi, M.A, Goedken, E.R. | | Deposit date: | 2022-08-04 | | Release date: | 2022-09-07 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.02 Å) | | Cite: | Identification and structure-based drug design of cell-active inhibitors of interleukin 17A at a novel C-terminal site.
Sci Rep, 12, 2022
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5NIM
 | | EthR complex | | Descriptor: | HTH-type transcriptional regulator EthR, SULFATE ION, [1-(2-hydroxyethyl)pyrrolo[3,4-c]pyrazol-5-yl]-(5-propyl-1,2-oxazol-3-yl)methanone | | Authors: | Pohl, E, Tatum, N.J, Cole, J.C, Baulard, A.R. | | Deposit date: | 2017-03-24 | | Release date: | 2017-11-15 | | Last modified: | 2025-04-09 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | New active leads for tuberculosis booster drugs by structure-based drug discovery.
Org. Biomol. Chem., 15, 2017
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8FM6
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6CV9
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6S7N
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6N2N
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8DNJ
 | | Crystal structure of human KRAS G12C covalently bound with AstraZeneca WO2020/178282A1 compound 76 | | Descriptor: | 1-[(5S,9P,12aR)-9-(2-chloro-6-hydroxyphenyl)-8-ethynyl-10-fluoro-3,4,12,12a-tetrahydro-6H-pyrazino[2,1-c][1,4]benzoxazepin-2(1H)-yl]propan-1-one, GUANOSINE-5'-DIPHOSPHATE, Isoform 2B of GTPase KRas, ... | | Authors: | Mohr, C. | | Deposit date: | 2022-07-11 | | Release date: | 2022-08-17 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.81 Å) | | Cite: | Modeling receptor flexibility in the structure-based design of KRAS G12C inhibitors.
J.Comput.Aided Mol.Des., 36, 2022
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3WO9
 | | Crystal structure of the lamprey variable lymphocyte receptor C | | Descriptor: | Variable lymphocyte receptor C | | Authors: | Kanda, R, Sutoh, Y, Kasamatsu, J, Maenaka, K, Kasahara, M, Ose, T. | | Deposit date: | 2013-12-20 | | Release date: | 2014-03-05 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal structure of the lamprey variable lymphocyte receptor C reveals an unusual feature in its N-terminal capping module.
Plos One, 9, 2014
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8G36
 | | Crystal structure of F182L-CYP199A4 in complex with terephthalic acid | | Descriptor: | CHLORIDE ION, Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Lee, J.H.Z, Bruning, J.B, Bell, S.G. | | Deposit date: | 2023-02-06 | | Release date: | 2023-05-17 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Engineering C-C Bond Cleavage Activity into a P450 Monooxygenase Enzyme.
J.Am.Chem.Soc., 145, 2023
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8G35
 | | Crystal structure of F182L-CYP199A4 in complex with (S)-4-(2-hydroxy-3-oxobutan-2-yl)benzoic acid | | Descriptor: | 4-[(2S)-2-hydroxy-3-oxobutan-2-yl]benzoic acid, CHLORIDE ION, Cytochrome P450, ... | | Authors: | Lee, J.H.Z, Bell, S.G, Bruning, J.B. | | Deposit date: | 2023-02-06 | | Release date: | 2023-05-17 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Engineering C-C Bond Cleavage Activity into a P450 Monooxygenase Enzyme.
J.Am.Chem.Soc., 145, 2023
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4PQW
 | | Crystal Structure of Phospholipase C beta 3 in Complex with PDZ1 of NHERF1 | | Descriptor: | CHLORIDE ION, NICKEL (II) ION, Na(+)/H(+) exchange regulatory cofactor NHE-RF1 | | Authors: | Jiang, Y, Wang, S, Holcomb, J, Trescott, L, Guan, X, Hou, Y, Brunzelle, J, Sirinupong, N, Li, C, Yang, Z. | | Deposit date: | 2014-03-04 | | Release date: | 2014-04-02 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.47 Å) | | Cite: | Crystallographic analysis of NHERF1-PLC beta 3 interaction provides structural basis for CXCR2 signaling in pancreatic cancer.
Biochem.Biophys.Res.Commun., 446, 2014
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117D
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4XQ0
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1DXS
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6W6B
 | | The X-ray crystal structure of the C-terminus domain of Staphylococcus aureus Fatty Acid Kinase A (FakA, residues 328-548) protein to 1.40 Angstrom resolution | | Descriptor: | SULFATE ION, SaFakA-Cterminus domain | | Authors: | Cuypers, M.G, Subramanian, C, Rock, C.O, White, S.W. | | Deposit date: | 2020-03-16 | | Release date: | 2021-03-17 | | Last modified: | 2025-02-26 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Domain architecture and catalysis of the Staphylococcus aureus fatty acid kinase.
J.Biol.Chem., 298, 2022
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1BAJ
 | | HIV-1 CAPSID PROTEIN C-TERMINAL FRAGMENT PLUS GAG P2 DOMAIN | | Descriptor: | GAG POLYPROTEIN | | Authors: | Worthylake, D.K, Wang, H, Yoo, S, Sundquist, W.I, Hill, C.P. | | Deposit date: | 1998-04-17 | | Release date: | 1998-10-14 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structures of the HIV-1 capsid protein dimerization domain at 2.6 A resolution.
Acta Crystallogr.,Sect.D, 55, 1999
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8JRU
 | | Cryo-EM structure of the glucagon receptor bound to beta-arrestin 1 in ligand-free state | | Descriptor: | Beta-arrestin 1 and single-chain fragment variable 30 (scFv30), HA signal peptide,HPC4 purification tag,Glucagon receptor,C-terminal tail of Vasopressin V2 receptor, Nanobody 32, ... | | Authors: | Chen, K, Zhang, C, Lin, S, Zhao, Q, Wu, B. | | Deposit date: | 2023-06-17 | | Release date: | 2023-08-16 | | Last modified: | 2025-07-16 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Tail engagement of arrestin at the glucagon receptor.
Nature, 620, 2023
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