6MOU
 
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6MOT
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6NE9
 | | Bacteroides intestinalis acetyl xylan esterase (BACINT_01039) | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Koropatkin, N.M, Pereira, G.V, Cann, I. | | Deposit date: | 2018-12-17 | | Release date: | 2019-12-25 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.738 Å) | | Cite: | Degradation of complex arabinoxylans by human colonic Bacteroidetes
Nat Commun, 2021
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8VWR
 | | Structure of steroid hydratase from Comamonas testosteroni | | Descriptor: | Acyl dehydratase, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Schroeter, K.L, Forrester, T.J.B, Kimber, M.S, Seah, S.Y.K. | | Deposit date: | 2024-02-02 | | Release date: | 2024-07-17 | | Last modified: | 2024-07-31 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Shy is a proteobacterial steroid hydratase which catalyzes steroid side chain degradation without requiring a catalytically inert partner domain.
J.Biol.Chem., 300, 2024
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8SY8
 | | Crystal structure of TsaC | | Descriptor: | 4-formylbenzenesulfonate dehydrogenase TsaC | | Authors: | Boggs, D.G, Tian, J, Bridwell-Rabb, J. | | Deposit date: | 2023-05-24 | | Release date: | 2023-09-20 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.18 Å) | | Cite: | The NADH recycling enzymes TsaC and TsaD regenerate reducing equivalents for Rieske oxygenase chemistry.
J.Biol.Chem., 299, 2023
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4CJX
 | | The crystal structure of Trypanosoma brucei N5, N10- methylenetetrahydrofolate dehydrogenase-cyclohydrolase (FolD) complexed with NADP cofactor and inhibitor | | Descriptor: | (2S)-2-[[4-[[2,4-bis(azanyl)-6-oxidanylidene-1H-pyrimidin-5-yl]carbamoylamino]phenyl]carbonylamino]pentanedioic acid, C-1-TETRAHYDROFOLATE SYNTHASE, CYTOPLASMIC, ... | | Authors: | Eadsforth, T.C, Hunter, W.N. | | Deposit date: | 2013-12-23 | | Release date: | 2015-02-04 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Characterization of 2,4-Diamino-6-Oxo-1,6-Dihydropyrimidin-5-Yl Ureido Based Inhibitors of Trypanosoma Brucei Fold and Testing for Antiparasitic Activity.
J.Med.Chem., 58, 2015
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8TXY
 | | X-ray crystal structure of JRD-SIK1/2i-3 bound to a MARK2-SIK2 chimera | | Descriptor: | DI(HYDROXYETHYL)ETHER, N-[(5P,8R)-5-(2-cyano-5-{[(3R)-1-methylpyrrolidin-3-yl]methoxy}pyridin-4-yl)pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide, SULFATE ION, ... | | Authors: | Raymond, D.D, Lemke, C.T, Shaffer, P.L, Collins, B, Steele, R, Seierstad, M. | | Deposit date: | 2023-08-24 | | Release date: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Identification of highly selective SIK1/2 inhibitors that modulate innate immune activation and suppress intestinal inflammation.
Proc.Natl.Acad.Sci.USA, 121, 2024
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2YLQ
 | | TARGETING THE BINDING FUNCTION 3 SITE OF THE ANDROGEN RECEPTOR THROUGH IN SILICO MOLECULAR MODELING | | Descriptor: | 3-[1-[2-(4-METHYLPHENOXY)ETHYL]BENZIMIDAZOL-2-YL]SULFANYLPROPANOIC ACID, ANDROGEN RECEPTOR, SULFATE ION, ... | | Authors: | Lack, N.A, Axerio, P, Tavassoli, P, Kuchenbecker, K, Han, F.Q, Chan, K.H, Feau, C, LeBlanc, E, Tomlinson, E, Guy, R.K, Rennie, P.S, Cherkasov, A. | | Deposit date: | 2011-06-04 | | Release date: | 2011-07-06 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Targeting the Binding Function 3 (Bf3) Site of the Human Androgen Receptor Through Virtual Screening.
J.Med.Chem., 54, 2011
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2YLO
 | | TARGETING THE BINDING FUNCTION 3 SITE OF THE ANDROGEN RECEPTOR THROUGH IN SILICO MOLECULAR MODELING | | Descriptor: | 1-[2-(4-METHYLPHENOXY)ETHYL]-2-(2-PHENOXYETHYLSULFANYL)BENZIMIDAZOLE, ANDROGEN RECEPTOR, SULFATE ION, ... | | Authors: | Lack, N.A, Axerio, P, Tavassoli, P, Kuchenbecker, K, Han, F.Q, Chan, K.H, Feau, C, LeBlanc, E, Tomlinson, E, Guy, R.K, Rennie, P.S, Cherkasov, A. | | Deposit date: | 2011-06-04 | | Release date: | 2011-07-06 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Targeting the Binding Function 3 (Bf3) Site of the Human Androgen Receptor Through Virtual Screening.
J.Med.Chem., 54, 2011
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2YLP
 | | TARGETING THE BINDING FUNCTION 3 SITE OF THE ANDROGEN RECEPTOR THROUGH IN SILICO MOLECULAR MODELING | | Descriptor: | 3-[(2,4-DICHLOROPHENYL)METHYLSULFANYLMETHYL]BENZOIC ACID, ANDROGEN RECEPTOR, SULFATE ION, ... | | Authors: | Lack, N.A, Axerio, P, Tavassoli, P, Kuchenbecker, K, Han, F.Q, Chan, K.H, Feau, C, LeBlanc, E, Tomlinson, E, Guy, R.K, Rennie, P.S, Cherkasov, A. | | Deposit date: | 2011-06-04 | | Release date: | 2011-07-06 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Targeting the Binding Function 3 (Bf3) Site of the Human Androgen Receptor Through Virtual Screening.
J.Med.Chem., 54, 2011
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7P85
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4YGM
 | | Vaccinia virus his-D4/A20(1-50) in complex with uracil | | Descriptor: | DNA polymerase processivity factor component A20, SULFATE ION, URACIL, ... | | Authors: | Tarbouriech, N, Iseni, F, Burmeister, W.P. | | Deposit date: | 2015-02-26 | | Release date: | 2015-06-10 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Crystal Structure of the Vaccinia Virus Uracil-DNA Glycosylase in Complex with DNA.
J.Biol.Chem., 290, 2015
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7Q20
 | | Ruminococcus gnavus ATC29149 endo-beta-1,4-galactosidase (RgGH98) in complex with blood group A trisaccharide | | Descriptor: | CALCIUM ION, MAGNESIUM ION, Ruminococcus gnavus endogalactosidase GH98, ... | | Authors: | Owen, C.D, Wu, H, Crost, E.H, van Bakel, W, Gascuena, A.M, Latousakis, D, Hicks, T, Walpole, S, Urbanowicz, P.A, Ndeh, D, Monaco, S, Salom, L.S, Griffiths, R, Colvile, A, Spencer, D.I.R, Walsh, M.A, Angulo, J, Juge, N. | | Deposit date: | 2021-10-22 | | Release date: | 2022-02-02 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | The human gut symbiont Ruminococcus gnavus shows specificity to blood group A antigen during mucin glycan foraging: Implication for niche colonisation in the gastrointestinal tract.
Plos Biol., 19, 2021
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7PMO
 | | Ruminococcus gnavus ATC29149 endo-beta-1,4-galactosidase (RgGH98) | | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Owen, C.D, Wu, H, Crost, E.H, van Bakel, W, Gascuena, A.M, Latousakis, D, Hicks, T, Walpole, S, Urbanowicz, P.A, Ndeh, D, Monaco, S, Salom, L.S, Griffiths, R, Colvile, A, Spencer, D.I.R, Walsh, M.A, Angulo, J, Juge, N. | | Deposit date: | 2021-09-02 | | Release date: | 2022-02-02 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | The human gut symbiont Ruminococcus gnavus shows specificity to blood group A antigen during mucin glycan foraging: Implication for niche colonisation in the gastrointestinal tract.
Plos Biol., 19, 2021
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7Q1W
 | | Ruminococcus gnavus ATC29149 endo-beta-1,4-galactosidase (RgGH98) E411A in complex with blood group A (BgA II) tetrasaccharide | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, GLYCEROL, ... | | Authors: | Owen, C.D, Wu, H, Crost, E.H, van Bakel, W, Gascuena, A.M, Latousakis, D, Hicks, T, Walpole, S, Urbanowicz, P.A, Ndeh, D, Monaco, S, Salom, L.S, Griffiths, R, Colvile, A, Spencer, D.I.R, Walsh, M.A, Angulo, J, Juge, N. | | Deposit date: | 2021-10-21 | | Release date: | 2022-03-16 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | The human gut symbiont Ruminococcus gnavus shows specificity to blood group A antigen during mucin glycan foraging: Implication for niche colonisation in the gastrointestinal tract.
Plos Biol., 19, 2021
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4YIG
 | | vaccinia virus D4/A20(1-50) in complex with dsDNA containing an abasic site and free uracyl | | Descriptor: | DNA (5'-D(*AP*AP*GP*AP*TP*AP*AP*CP*AP*G)-3'), DNA (5'-D(*CP*TP*GP*TP*(ORP)P*AP*TP*CP*TP*T)-3'), DNA polymerase processivity factor component A20, ... | | Authors: | tarbouriech, N, burmeister, W.P, iseni, F. | | Deposit date: | 2015-03-02 | | Release date: | 2015-06-10 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Crystal Structure of the Vaccinia Virus Uracil-DNA Glycosylase in Complex with DNA.
J.Biol.Chem., 290, 2015
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6HAI
 | | AlbAM131A mutant in complex with albicidin , albicidin resistance protein | | Descriptor: | 4-[[4-[[4-[(3~{S})-3-[[4-[[(~{E})-3-(4-hydroxyphenyl)-2-methyl-prop-2-enoyl]amino]phenyl]carbonylamino]-2,5-bis(oxidanylidene)pyrrolidin-1-yl]phenyl]carbonylamino]-3-methoxy-2-oxidanyl-phenyl]carbonylamino]-3-methoxy-2-oxidanyl-benzoic acid, Albicidin resistance protein, SULFATE ION | | Authors: | Koehnke, J, Sikandar, A. | | Deposit date: | 2018-08-07 | | Release date: | 2018-11-21 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Adaptation of a Bacterial Multidrug Resistance System Revealed by the Structure and Function of AlbA.
J.Am.Chem.Soc., 140, 2018
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8PUM
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8PUS
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1OGT
 | | CRYSTAL STRUCTURE OF HLA-B*2705 COMPLEXED WITH THE VASOACTIVE INTESTINAL PEPTIDE TYPE 1 RECEPTOR (VIPR) PEPTIDE (RESIDUES 400-408) | | Descriptor: | BETA-2-MICROGLOBULIN, GLYCEROL, HLA CLASS I HISTOCOMPATIBILITY ANTIGEN, ... | | Authors: | Hulsmeyer, M, Fiorillo, M.T, Bettosini, F, Sorrentino, R, Saenger, W, Ziegler, A, Uchanska-Ziegler, B. | | Deposit date: | 2003-05-13 | | Release date: | 2004-01-29 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.47 Å) | | Cite: | Dual, HLA-B27 subtype-dependent conformation of a self-peptide.
J. Exp. Med., 199, 2004
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6SFR
 | | SOS1 in Complex with Inhibitor BI-68BS | | Descriptor: | 6,7-dimethoxy-~{N}-[(1~{R})-1-phenylethyl]quinazolin-4-amine, IMIDAZOLE, Son of sevenless homolog 1 | | Authors: | Kessler, D, Fischer, G, Ramharter, J. | | Deposit date: | 2019-08-02 | | Release date: | 2020-08-26 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.917 Å) | | Cite: | BI-3406, a Potent and Selective SOS1-KRAS Interaction Inhibitor, Is Effective in KRAS-Driven Cancers through Combined MEK Inhibition.
Cancer Discov, 11, 2021
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6IBB
 | | Crystal structure of the rat isoform of the succinate receptor SUCNR1 (GPR91) in complex with a nanobody | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2~{S},5~{R})-hexane-2,5-diol, CHOLESTEROL, ... | | Authors: | Haffke, M, Jaakola, V.-P. | | Deposit date: | 2018-11-29 | | Release date: | 2019-08-14 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.12 Å) | | Cite: | Structural basis of species-selective antagonist binding to the succinate receptor.
Nature, 574, 2019
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6SCM
 | | SOS1 in Complex with Inhibitor BI-3406 | | Descriptor: | 1,2-ETHANEDIOL, IMIDAZOLE, Son of sevenless homolog 1, ... | | Authors: | Kessler, D, Fischer, G, Ramharter, J. | | Deposit date: | 2019-07-24 | | Release date: | 2020-08-26 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (1.866 Å) | | Cite: | BI-3406, a Potent and Selective SOS1-KRAS Interaction Inhibitor, Is Effective in KRAS-Driven Cancers through Combined MEK Inhibition.
Cancer Discov, 11, 2021
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6SMW
 | | A. thaliana serine hydroxymethyltransferase isoform 2 (AtSHMT2) in complex with pemetrexed | | Descriptor: | 1,2-ETHANEDIOL, 2-{4-[2-(2-AMINO-4-OXO-4,7-DIHYDRO-3H-PYRROLO[2,3-D]PYRIMIDIN-5-YL)-ETHYL]-BENZOYLAMINO}-PENTANEDIOIC ACID, PYRIDOXAL-5'-PHOSPHATE, ... | | Authors: | Ruszkowski, M, Sekula, B, Dauter, Z. | | Deposit date: | 2019-08-23 | | Release date: | 2020-01-08 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.54 Å) | | Cite: | Structural basis of methotrexate and pemetrexed action on serine hydroxymethyltransferases revealed using plant models.
Sci Rep, 9, 2019
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6H4D
 | | Crystal structure of RsgA from Pseudomonas aeruginosa | | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, Small ribosomal subunit biogenesis GTPase RsgA, ZINC ION | | Authors: | Rocchio, S, Santorelli, D, Travaglini-Allocatelli, C, Federici, L, Di Matteo, A. | | Deposit date: | 2018-07-20 | | Release date: | 2019-06-26 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Structural and functional investigation of the Small Ribosomal Subunit Biogenesis GTPase A (RsgA) from Pseudomonas aeruginosa.
Febs J., 286, 2019
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