7SNU
 
 | | Crystal structure of ShHTL7 from Striga hermonthica in complex with strigolactone antagonist RG6 | | Descriptor: | 2-{(2S)-1-[(4-ethoxyphenyl)methyl]-4-[(2E)-3-(4-methoxyphenyl)prop-2-en-1-yl]piperazin-2-yl}ethan-1-ol, ACETATE ION, GLYCEROL, ... | | Authors: | Arellano-Saab, A, Stogios, P.J, Skarina, T, Yim, V, Savchenko, A, McCourt, P. | | Deposit date: | 2021-10-28 | | Release date: | 2022-07-06 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.46 Å) | | Cite: | A novel strigolactone receptor antagonist provides insights into the structural inhibition, conditioning, and germination of the crop parasite Striga.
J.Biol.Chem., 298, 2022
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3URL
 | | Endothiapepsin-DB6 complex. | | Descriptor: | DB6 peptide, Endothiapepsin, SULFATE ION | | Authors: | Bailey, D, Sanz-Aparicio, J, Albert, A, Cooper, J.B. | | Deposit date: | 2011-11-22 | | Release date: | 2012-04-18 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | An analysis of subdomain orientation, conformational change and disorder in relation to crystal packing of aspartic proteinases.
Acta Crystallogr.,Sect.D, 68, 2012
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4WFA
 | | The crystal structure of the large ribosomal subunit of Staphylococcus aureus in complex with linezolid | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 23S rRNA, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | | Authors: | Eyal, Z, Matzov, D, Krupkin, M, Wekselman, I, Zimmerman, E, Rozenberg, H, Bashan, A, Yonath, A.E. | | Deposit date: | 2014-09-14 | | Release date: | 2015-10-21 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (3.392 Å) | | Cite: | Structural insights into species-specific features of the ribosome from the pathogen Staphylococcus aureus.
Proc.Natl.Acad.Sci.USA, 112, 2015
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4UV8
 | | LSD1(KDM1A)-CoREST in complex with 1-Benzyl-Tranylcypromine | | Descriptor: | LYSINE-SPECIFIC HISTONE DEMETHYLASE 1A, REST COREPRESSOR 1, [[(2R,3S,4S)-5-[(4aS,10aS)-4a-[(1S)-3-azanylidene-1,4-diphenyl-butyl]-7,8-dimethyl-2,4-bis(oxidanylidene)-5,10a-dihydro-1H-benzo[g]pteridin-10-yl]-2,3,4-tris(oxidanyl)pentoxy]-oxidanyl-phosphoryl] [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate | | Authors: | Vianello, P, Botrugno, O, Cappa, A, Ciossani, G, Dessanti, P, Mai, A, Mattevi, A, Meroni, G, Minucci, S, Thaler, F, Tortorici, M, Trifiro, P, Valente, S, Villa, M, Varasi, M, Mercurio, C. | | Deposit date: | 2014-08-05 | | Release date: | 2014-09-10 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Synthesis, Biological Activity and Mechanistic Insights of 1-Substituted Cyclopropylamine Derivatives: A Novel Class of Irreversible Inhibitors of Histone Demethylase Kdm1A.
Eur.J.Med.Chem., 86C, 2014
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4V25
 | | VER-246608, a novel pan-isoform ATP competitive inhibitor of pyruvate dehydrogenase kinase, disrupts Warburg metabolism and induces context- dependent cytostasis in cancer cells | | Descriptor: | MAGNESIUM ION, N-(2-AMINOETHYL)-2-{3-CHLORO-4-[(4-ISOPROPYLBENZYL)OXY]PHENYL} ACETAMIDE, N-[4-(2-chloro-5-methylpyrimidin-4-yl)phenyl]-N-(4-{[(difluoroacetyl)amino]methyl}benzyl)-2,4-dihydroxybenzamide, ... | | Authors: | Moore, J.D, Staniszewska, A, Shaw, T, D'Alessandro, J, Davis, B, Surgenor, A, Baker, L, Matassova, N, Murray, J, Macias, A, Brough, P, Wood, M, Mahon, P.C. | | Deposit date: | 2014-10-06 | | Release date: | 2014-12-03 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | VER-246608, a novel pan-isoform ATP competitive inhibitor of pyruvate dehydrogenase kinase, disrupts Warburg metabolism and induces context-dependent cytostasis in cancer cells.
Oncotarget, 5, 2014
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4V26
 | | VER-246608, a novel pan-isoform ATP competitive inhibitor of pyruvate dehydrogenase kinase, disrupts Warburg metabolism and induces context- dependent cytostasis in cancer cells | | Descriptor: | MAGNESIUM ION, N-(2-AMINOETHYL)-2-{3-CHLORO-4-[(4-ISOPROPYLBENZYL)OXY]PHENYL} ACETAMIDE, N-[4-(2-CHLORO-5-METHYLPYRIMIDIN-4-YL)PHENYL]-2,4-DIHYDROXY-N-(4-{[(TRIFLUOROACETYL)AMINO]METHYL}BENZYL)BENZAMIDE, ... | | Authors: | Moore, J.D, Staniszewska, A, Shaw, T, D'Alessandro, J, Davis, B, Surgenor, A, Baker, L, Matassova, N, Murray, J, Macias, A, Brough, P, Wood, M, Mahon, P.C. | | Deposit date: | 2014-10-06 | | Release date: | 2014-12-03 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.49 Å) | | Cite: | VER-246608, a novel pan-isoform ATP competitive inhibitor of pyruvate dehydrogenase kinase, disrupts Warburg metabolism and induces context-dependent cytostasis in cancer cells.
Oncotarget, 5, 2014
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4VHB
 | | THIOCYANATE ADDUCT OF THE BACTERIAL HEMOGLOBIN FROM VITREOSCILLA SP. | | Descriptor: | PROTEIN (HEMOGLOBIN), PROTOPORPHYRIN IX CONTAINING FE, THIOCYANATE ION | | Authors: | Bolognesi, M, Boffi, A, Coletta, M, Mozzarelli, A, Pesce, A, Tarricone, C, Ascenzi, P. | | Deposit date: | 1999-03-11 | | Release date: | 1999-08-31 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Anticooperative ligand binding properties of recombinant ferric Vitreoscilla homodimeric hemoglobin: a thermodynamic, kinetic and X-ray crystallographic study.
J.Mol.Biol., 291, 1999
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6PU8
 | | Room temperature X-ray structure of HIV-1 protease triple mutant (V32I,I47V,V82I) with tetrahedral intermediate of keto-darunavir | | Descriptor: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S)-4-{[(4-aminophenyl)sulfonyl](2-methylpropyl)amino}-3,3-dihydroxy-1-phenylbutan-2-yl]carbamate, HIV-1 protease | | Authors: | Kovalevsky, A, Das, A. | | Deposit date: | 2019-07-17 | | Release date: | 2020-06-24 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Visualizing Tetrahedral Oxyanion Bound in HIV-1 Protease Using Neutrons: Implications for the Catalytic Mechanism and Drug Design.
Acs Omega, 5, 2020
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6Q8Z
 | | Structure of human galactokinase 1 bound with N-(Cyclobutylmethyl)-1,5-dimethyl-1H-pyrazole-4-carboxamide | | Descriptor: | 2-(1,3-benzoxazol-2-ylamino)spiro[1,6,7,8-tetrahydroquinazoline-4,1'-cyclohexane]-5-one, Galactokinase, beta-D-galactopyranose, ... | | Authors: | Mackinnon, S.R, Bezerra, G.A, Zhang, M, Foster, W, Krojer, T, Brandao-Neto, J, Douangamath, A, Arrowsmith, C, Edwards, A, Bountra, C, Brennan, P, Lai, K, Yue, W.W. | | Deposit date: | 2018-12-16 | | Release date: | 2019-01-23 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structure of human galactokinase 1 bound with N-(Cyclobutylmethyl)-1,5-dimethyl-1H-pyrazole-4-carboxamide
To Be Published
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6QF1
 | | X-Ray structure of Proteinase K crystallized on a silicon chip | | Descriptor: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, CALCIUM ION, Proteinase K | | Authors: | Lieske, J, Cerv, M, Kreida, S, Barthelmess, M, Fischer, P, Pakendorf, T, Yefanov, O, Mariani, V, Seine, T, Ross, B.H, Crosas, E, Lorbeer, O, Burkhardt, A, Lane, T.J, Guenther, S, Bergtholdt, J, Schoen, S, Tornroth-Horsefield, S, Chapman, H.N, Meents, A. | | Deposit date: | 2019-01-09 | | Release date: | 2019-07-10 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.737 Å) | | Cite: | On-chip crystallization for serial crystallography experiments and on-chip ligand-binding studies.
Iucrj, 6, 2019
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6VXG
 | | Structure of the C-terminal Domain of RAGE and Its Inhibitor | | Descriptor: | Advanced glycosylation end product-specific receptor, N-(4-{7-cyano-4-[(morpholin-4-yl)methyl]quinolin-2-yl}phenyl)acetamide | | Authors: | Ramirez, L, Shekhtman, A. | | Deposit date: | 2020-02-21 | | Release date: | 2021-02-24 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Small-molecule antagonism of the interaction of the RAGE cytoplasmic domain with DIAPH1 reduces diabetic complications in mice.
Sci Transl Med, 13, 2021
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8RRY
 | | Crystal structure of copper-loaded SmAA10 | | Descriptor: | CBP21, CITRIC ACID, COPPER (II) ION, ... | | Authors: | Munzone, A, Pujol, M, Reglier, M, Royant, A, Simaan, A.J, Decroos, C. | | Deposit date: | 2024-01-24 | | Release date: | 2024-06-12 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.45561326 Å) | | Cite: | Integrated Experimental and Theoretical Investigation of Copper Active Site Properties of a Lytic Polysaccharide Monooxygenase from Serratia marcescens.
Inorg.Chem., 63, 2024
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4O8Q
 | | Crystal structure of bovine MHD domain of the COPI delta subunit at 2.15 A resolution | | Descriptor: | Coatomer subunit delta, FORMIC ACID | | Authors: | Lahav, A, Rozenberg, H, Cassel, D, Adir, N. | | Deposit date: | 2013-12-29 | | Release date: | 2015-01-07 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Structure of the bovine COPI delta subunit mu homology domain at 2.15 angstrom resolution.
Acta Crystallogr.,Sect.D, 71, 2015
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8QZN
 | | DARPin-Armadillo fusion protein with a selected Tyrosin pocket binding to the fused target peptide | | Descriptor: | 1,2-ETHANEDIOL, DARPin-Armadillo fusion protein with Tyrosin pocket and linked target peptide, SULFATE ION | | Authors: | Stark, Y, Menard, F, Jeliazkov, J, Ernst, P, Chembath, A, Ashraf, M, Hine, A, Plueckthun, A. | | Deposit date: | 2023-10-27 | | Release date: | 2024-07-03 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Modular binder technology by NGS-aided, high-resolution selection in yeast of designed armadillo modules.
Proc.Natl.Acad.Sci.USA, 121, 2024
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6Q91
 | | Structure of human galactokinase 1 bound with 5-Chloro-N-isobutyl-2-methoxybenzamide | | Descriptor: | 2-(1,3-benzoxazol-2-ylamino)spiro[1,6,7,8-tetrahydroquinazoline-4,1'-cyclohexane]-5-one, 5-chloranyl-2-methoxy-~{N}-(2-methylpropyl)benzamide, Galactokinase, ... | | Authors: | Mackinnon, S.R, Bezerra, G.A, Zhang, M, Foster, W, Krojer, T, Brandao-Neto, J, Douangamath, A, Arrowsmith, C, Edwards, A, Bountra, C, Brennan, P, Lai, K, Yue, W.W. | | Deposit date: | 2018-12-17 | | Release date: | 2019-01-23 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structure of human galactokinase 1 bound with 5-Chloro-N-isobutyl-2-methoxybenzamide
To Be Published
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4OEP
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6D1V
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5VL9
 | | Crystal structure of EilR in complex with eilO DNA element | | Descriptor: | DNA (5'-D(*GP*AP*AP*AP*GP*TP*TP*GP*GP*AP*CP*AP*TP*A)-3'), DNA (5'-D(*TP*AP*TP*GP*TP*CP*CP*AP*AP*CP*TP*TP*TP*C)-3'), HEXANE-1,6-DIOL, ... | | Authors: | Pereira, J.H, Ruegg, T.L, Chen, J, Novichkov, P, DeGiovani, A, Tomaleri, G.P, Singer, S, Simmons, B, Thelen, M, Adams, P.D. | | Deposit date: | 2017-04-25 | | Release date: | 2018-06-27 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (2.16 Å) | | Cite: | Jungle Express is a versatile repressor system for tight transcriptional control.
Nat Commun, 9, 2018
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6QBB
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5VLG
 | | Crystal structure of EilR in complex with malachite green | | Descriptor: | MALACHITE GREEN, Regulatory protein TetR | | Authors: | Pereira, J.H, Ruegg, T.L, Chen, J, Novichkov, P, DeGiovani, A, Tomaleri, G.P, Singer, S, Simmons, B, Thelen, M, Adams, P.D. | | Deposit date: | 2017-04-25 | | Release date: | 2018-06-27 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.932 Å) | | Cite: | Jungle Express is a versatile repressor system for tight transcriptional control.
Nat Commun, 9, 2018
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8RTC
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6Q81
 | | Structure of P-glycoprotein(ABCB1) in the post-hydrolytic state | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, P-glycoprotein (ABCB1) | | Authors: | Ford, R.C, Thonghin, N, Collins, R.F, Barbieri, A, Shafi, T, Siebert, A. | | Deposit date: | 2018-12-13 | | Release date: | 2018-12-26 | | Last modified: | 2024-05-15 | | Method: | ELECTRON MICROSCOPY (7.9 Å) | | Cite: | Novel features in the structure of P-glycoprotein (ABCB1) in the post-hydrolytic state as determined at 7.9 angstrom resolution.
Bmc Struct.Biol., 18, 2018
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6VWB
 | | Solution structure of the N-terminal helix-hairpin-helix domain of human MUS81 | | Descriptor: | Crossover junction endonuclease MUS81 | | Authors: | Payliss, B, Houliston, S, Lemak, A, Arrowsmith, C.H, Wyatt, H.D.M. | | Deposit date: | 2020-02-19 | | Release date: | 2021-02-24 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Phosphorylation of the DNA repair scaffold SLX4 drives folding of the SAP domain and activation of the MUS81-EME1 endonuclease
Cell Rep, 41, 2022
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8RST
 | | Rap from bacteriophage Phi3T in presence of pheromone SRGHTS | | Descriptor: | Glycerol ethoxylate, Rap3T, SRGHTS, ... | | Authors: | Felipe-Ruiz, A, Zamora-Caballero, S, Marina, A. | | Deposit date: | 2024-01-25 | | Release date: | 2024-07-24 | | Last modified: | 2024-08-28 | | Method: | X-RAY DIFFRACTION (2.56 Å) | | Cite: | Extracellular proteolysis of tandemly duplicated pheromone propeptides affords additional complexity to bacterial quorum sensing.
Plos Biol., 22, 2024
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8RTE
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