8SLY
 
 | | Rat TRPV2 bound with 2 CBD ligands in nanodiscs | | Descriptor: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, SODIUM ION, Transient receptor potential cation channel subfamily V member 2, ... | | Authors: | Tan, X, Swartz, K.J. | | Deposit date: | 2023-04-24 | | Release date: | 2023-05-31 | | Last modified: | 2024-06-19 | | Method: | ELECTRON MICROSCOPY (3.32 Å) | | Cite: | Cannabidiol sensitizes TRPV2 channels to activation by 2-APB.
Elife, 12, 2023
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2WPF
 | | Trypanosoma brucei trypanothione reductase in complex with 3,4- dihydroquinazoline inhibitor (DDD00085762) | | Descriptor: | 3-[(4S)-6-CHLORO-2-METHYL-4-(4-METHYLPHENYL)QUINAZOLIN-3(4H)-YL]-N,N-DIMETHYLPROPAN-1-AMINE, BROMIDE ION, CHLORIDE ION, ... | | Authors: | Alphey, M.S, Patterson, S, Fairlamb, A.H. | | Deposit date: | 2009-08-06 | | Release date: | 2010-10-13 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Dihydroquinazolines as a Novel Class of Trypanosoma Brucei Trypanothione Reductase Inhibitors: Discovery, Synthesis, and Characterization of Their Binding Mode by Protein Crystallography.
J.Med.Chem., 54, 2011
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8SO2
 | | Human CYP3A4 bound to a substrate | | Descriptor: | CAFFEINE, Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Sevrioukova, I.F. | | Deposit date: | 2023-04-28 | | Release date: | 2023-08-02 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Interaction of CYP3A4 with caffeine: First insights into multiple substrate binding.
J.Biol.Chem., 299, 2023
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5QC4
 | | Crystal structure of human Cathepsin-S with bound ligand | | Descriptor: | 2-[5-[5-ethanoyl-1-[(2~{R})-2-oxidanyl-3-[4-(2-oxidanylpropan-2-yl)piperidin-1-yl]propyl]-6,7-dihydro-4~{H}-pyrazolo[4,3-c]pyridin-3-yl]-2-(trifluoromethyl)phenyl]sulfanyl-1-pyrrolidin-1-yl-ethanone, Cathepsin S | | Authors: | Bembenek, S.D, Ameriks, M.K, Mirzadegan, T, Yang, H, Shao, C, Burley, S.K. | | Deposit date: | 2017-08-04 | | Release date: | 2017-12-20 | | Last modified: | 2021-11-17 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Thioether acetamides as P3 binding elements for tetrahydropyrido-pyrazole cathepsin S inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010
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8SO1
 | | Human CYP3A4 bound to three caffeine molecules | | Descriptor: | CAFFEINE, Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Sevrioukova, I.F. | | Deposit date: | 2023-04-28 | | Release date: | 2023-08-02 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Interaction of CYP3A4 with caffeine: First insights into multiple substrate binding.
J.Biol.Chem., 299, 2023
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8V6Q
 | | Crystal structure of EcThsA in ligand-free state | | Descriptor: | Thoeris protein ThsA Macro domain-containing protein | | Authors: | Shi, Y, Masic, V, Mosaiab, T, Goulart, C.C, Hartley-Tassell, L, Sorbello, M, Vasquez, V, Mishra, B.P, Holt, S, Gu, W, Kobe, B, Ve, T. | | Deposit date: | 2023-12-02 | | Release date: | 2024-06-12 | | Last modified: | 2024-07-10 | | Method: | X-RAY DIFFRACTION (2.62 Å) | | Cite: | Structural characterization of macro domain-containing Thoeris antiphage defense systems.
Sci Adv, 10, 2024
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3BU9
 | | Selenomethionine derivative of monomine L57,63,87,146M mutant | | Descriptor: | Lipocalin | | Authors: | Mans, B.J, Ribeiro, J.M, Andersen, J.F. | | Deposit date: | 2008-01-02 | | Release date: | 2008-04-01 | | Last modified: | 2017-10-25 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Structure, function, and evolution of biogenic amine-binding proteins in soft ticks.
J.Biol.Chem., 283, 2008
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2WOW
 | | Trypanosoma brucei trypanothione reductase with NADP and trypanothione bound | | Descriptor: | BIS(GAMMA-GLUTAMYL-CYSTEINYL-GLYCINYL)SPERMIDINE, FLAVIN-ADENINE DINUCLEOTIDE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | Authors: | Alphey, M.S, Fairlamb, A.H. | | Deposit date: | 2009-07-30 | | Release date: | 2010-08-04 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Dihydroquinazolines as a Novel Class of Trypanosoma Brucei Trypanothione Reductase Inhibitors: Discovery, Synthesis, and Characterization of Their Binding Mode by Protein Crystallography.
J.Med.Chem., 54, 2011
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5KPM
 | | Glycogen Synthase Kinase 3 beta Complexed with BRD3731 | | Descriptor: | (4~{S})-3-(2,2-dimethylpropyl)-4,7,7-trimethyl-4-phenyl-2,6,8,9-tetrahydropyrazolo[3,4-b]quinolin-5-one, Glycogen synthase kinase-3 beta | | Authors: | Lakshminarasimhan, D, White, A, Nadupalli, A, Suto, R.K. | | Deposit date: | 2016-07-04 | | Release date: | 2018-03-14 | | Last modified: | 2018-03-21 | | Method: | X-RAY DIFFRACTION (2.69 Å) | | Cite: | Exploiting an Asp-Glu "switch" in glycogen synthase kinase 3 to design paralog-selective inhibitors for use in acute myeloid leukemia.
Sci Transl Med, 10, 2018
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5KPL
 | | Glycogen Synthase Kinase 3 beta Complexed with BRD0705 | | Descriptor: | (4~{S})-4-ethyl-7,7-dimethyl-4-phenyl-2,6,8,9-tetrahydropyrazolo[3,4-b]quinolin-5-one, Glycogen synthase kinase-3 beta | | Authors: | Lakshminarasimhan, D, White, A, Nadupalli, A, Suto, R.K. | | Deposit date: | 2016-07-04 | | Release date: | 2018-03-14 | | Last modified: | 2018-03-21 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Exploiting an Asp-Glu "switch" in glycogen synthase kinase 3 to design paralog-selective inhibitors for use in acute myeloid leukemia.
Sci Transl Med, 10, 2018
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4DHJ
 | | The structure of a ceOTUB1 ubiquitin aldehyde UBC13~Ub complex | | Descriptor: | Ubiquitin, Ubiquitin aldehyde, Ubiquitin thioesterase otubain-like, ... | | Authors: | Wiener, R, Zhang, X, Wang, T, Wolberger, C. | | Deposit date: | 2012-01-27 | | Release date: | 2012-02-22 | | Last modified: | 2017-11-15 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | The mechanism of OTUB1-mediated inhibition of ubiquitination.
Nature, 483, 2012
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1RA9
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7MW7
 | | Crystal structure of P1G mutant of D-dopachrome tautomerase | | Descriptor: | D-dopachrome decarboxylase, SODIUM ION, SULFATE ION | | Authors: | Manjula, R, Murphy, E.L, Murphy, J.W, Lolis, E. | | Deposit date: | 2021-05-15 | | Release date: | 2021-08-18 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | A structurally preserved allosteric site in the MIF superfamily affects enzymatic activity and CD74 activation in D-dopachrome tautomerase.
J.Biol.Chem., 297, 2021
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3HY6
 | | Structure of human MTHFS with ADP | | Descriptor: | 5-formyltetrahydrofolate cyclo-ligase, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Wu, D, Li, Y, Song, G, Cheng, C, Shaw, N, Liu, Z.-J. | | Deposit date: | 2009-06-22 | | Release date: | 2009-07-14 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural basis for the inhibition of human 5,10-methenyltetrahydrofolate synthetase by N10-substituted folate analogues
Cancer Res., 69, 2009
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1IMC
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1IMF
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6V0O
 | | PRMT5 bound to the PBM peptide from pICln | | Descriptor: | ACETYL GROUP, Methylosome protein 50, PBM peptide, ... | | Authors: | McMillan, B.J, Raymond, D.D. | | Deposit date: | 2019-11-19 | | Release date: | 2020-08-26 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.86 Å) | | Cite: | Molecular basis for substrate recruitment to the PRMT5 methylosome.
Mol.Cell, 81, 2021
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6P5B
 | | Crystal Structure of MavC in Complex with Ub-UbE2N | | Descriptor: | MavC, Ubiquitin, Ubiquitin-conjugating enzyme E2 N | | Authors: | Puvar, K, Iyer, S, Negron Teron, K.I, Das, C. | | Deposit date: | 2019-05-30 | | Release date: | 2020-05-27 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.099 Å) | | Cite: | Legionella effector MavC targets the Ube2N~Ub conjugate for noncanonical ubiquitination.
Nat Commun, 11, 2020
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2IZV
 | | CRYSTAL STRUCTURE OF SOCS-4 IN COMPLEX WITH ELONGIN-B AND ELONGIN-C AT 2.55A RESOLUTION | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, SODIUM ION, ... | | Authors: | Debreczeni, J.E, Bullock, A, Papagrigoriou, E, Turnbull, A, Pike, A.C.W, Gorrec, F, von Delft, F, Sundstrom, M, Arrowsmith, C, Weigelt, J, Edwards, A, Knapp, S. | | Deposit date: | 2006-07-26 | | Release date: | 2006-08-02 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Structure of the SOCS4-ElonginB/C complex reveals a distinct SOCS box interface and the molecular basis for SOCS-dependent EGFR degradation.
Structure, 15, 2007
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3D0U
 | | Crystal Structure of Lysine Riboswitch Bound to Lysine | | Descriptor: | IRIDIUM HEXAMMINE ION, LYSINE, Lysine Riboswitch RNA | | Authors: | Garst, A.D, Heroux, A, Rambo, R.P, Batey, R.T. | | Deposit date: | 2008-05-02 | | Release date: | 2008-07-01 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Crystal structure of the lysine riboswitch regulatory mRNA element.
J.Biol.Chem., 283, 2008
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8VL8
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4YE6
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5KPK
 | | Glycogen Synthase Kinase 3 beta Complexed with BRD0209 | | Descriptor: | (4~{S})-3-cyclopropyl-4,7,7-trimethyl-4-phenyl-2,6,8,9-tetrahydropyrazolo[3,4-b]quinolin-5-one, Glycogen synthase kinase-3 beta | | Authors: | Lakshminarasimhan, D, White, A, Nadupalli, A, Suto, R.K. | | Deposit date: | 2016-07-04 | | Release date: | 2018-03-14 | | Last modified: | 2018-03-21 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Exploiting an Asp-Glu "switch" in glycogen synthase kinase 3 to design paralog-selective inhibitors for use in acute myeloid leukemia.
Sci Transl Med, 10, 2018
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4YE9
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3V8P
 | | Crystal structure of NAD kinase 1 from Listeria monocytogenes in complex with a new di-adenosine inhibitor formed in situ | | Descriptor: | 2-[6-azanyl-9-[(2R,3R,4S,5R)-5-[[(azanylidene-$l^{4}-azanylidene)amino]methyl]-3,4-bis(oxidanyl)oxolan-2-yl]purin-8-yl]sulfanyl-N-[[(2R,3S,4R,5R)-5-(6-azanyl-8-bromanyl-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl]ethanamide, CITRIC ACID, Probable inorganic polyphosphate/ATP-NAD kinase 1 | | Authors: | Gelin, M, Poncet-Montange, G, Assairi, L, Morellato, L, Huteau, V, Dugu, L, Dussurget, O, Pochet, S, Labesse, G. | | Deposit date: | 2011-12-23 | | Release date: | 2012-03-14 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (2.2901 Å) | | Cite: | Screening and In Situ Synthesis Using Crystals of a NAD Kinase Lead to a Potent Antistaphylococcal Compound.
Structure, 20, 2012
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