4QQD
| Crystal Structure of tandem tudor domains of UHRF1 in complex with a small organic molecule | Descriptor: | 4-methyl-2,3,4,5,6,7-hexahydrodicyclopenta[b,e]pyridin-8(1H)-imine, E3 ubiquitin-protein ligase UHRF1, UNKNOWN ATOM OR ION | Authors: | Liu, Y, Tempel, W, Iqbal, A, Walker, J.R, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Brown, P.J, Min, J, Structural Genomics Consortium (SGC) | Deposit date: | 2014-06-27 | Release date: | 2014-08-06 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.28 Å) | Cite: | A small molecule antagonist of SMN disrupts the interaction between SMN and RNAP II. Nat Commun, 13, 2022
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4IA9
| Crystal structure of human WD REPEAT DOMAIN 5 in complex with 2-chloro-4-fluoro-3-methyl-N-[2-(4-methylpiperazin-1-yl)-5-nitrophenyl]benzamide | Descriptor: | 1,2-ETHANEDIOL, 2-chloro-4-fluoro-3-methyl-N-[2-(4-methylpiperazin-1-yl)-5-nitrophenyl]benzamide, UNKNOWN ATOM OR ION, ... | Authors: | Dong, A, Dombrovski, L, Bolshan, Y, Getlik, M, Tempel, W, Kuznetsova, E, Wasney, G.A, Hajian, T, Poda, G, Nguyen, K.T, Schapira, M, Brown, P.J, Al-awar, R, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Smil, D, Vedadi, M, Wu, H, Structural Genomics Consortium (SGC) | Deposit date: | 2012-12-06 | Release date: | 2012-12-26 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.66 Å) | Cite: | Synthesis, Optimization, and Evaluation of Novel Small Molecules as Antagonists of WDR5-MLL Interaction. ACS Med Chem Lett, 4, 2013
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4QQN
| Protein arginine methyltransferase 3 in complex with compound MTV044246 | Descriptor: | 1-{2-[1-(aminomethyl)cyclohexyl]ethyl}-3-isoquinolin-6-ylurea, CHLORIDE ION, GLYCEROL, ... | Authors: | Dong, A, Dobrovetsky, E, Tempel, W, He, H, Zhao, K, Smil, D, Landon, M, Luo, X, Chen, Z, Dai, M, Yu, Z, Lin, Y, Zhang, H, Zhao, K, Schapira, M, Brown, P.J, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Vedadi, M, Structural Genomics Consortium (SGC) | Deposit date: | 2014-06-27 | Release date: | 2014-09-17 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.08 Å) | Cite: | Discovery of Potent and Selective Allosteric Inhibitors of Protein Arginine Methyltransferase 3 (PRMT3). J. Med. Chem., 61, 2018
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1NZ6
| Crystal Structure of Auxilin J-Domain | Descriptor: | Auxilin | Authors: | Jiang, J, Taylor, A.B, Prasad, K, Ishikawa-Brush, Y, Hart, P.J, Lafer, E.M, Sousa, R. | Deposit date: | 2003-02-16 | Release date: | 2003-04-22 | Last modified: | 2011-11-16 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structure-function analysis of the auxilin J-domain reveals an extended Hsc70 interaction interface. Biochemistry, 42, 2003
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4I4W
| Peptide length determines the outcome of T cell receptor/peptide-MHCI engagement | Descriptor: | 1,2-ETHANEDIOL, Beta-2-microglobulin, GLYCEROL, ... | Authors: | Rizkallah, P.J, Wooldridge, L, Cole, D.K. | Deposit date: | 2012-11-28 | Release date: | 2013-01-02 | Last modified: | 2015-11-25 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | Peptide length determines the outcome of TCR/peptide-MHCI engagement. Blood, 121, 2013
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7AOG
| 14-3-3 sigma in complex with Pin1 binding site pS72 | Descriptor: | 14-3-3 protein sigma, CALCIUM ION, CHLORIDE ION, ... | Authors: | Wolter, M, Dijck, L.v, Cossar, P.J, Ottmann, C. | Deposit date: | 2020-10-14 | Release date: | 2021-06-16 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Reversible Covalent Imine-Tethering for Selective Stabilization of 14-3-3 Hub Protein Interactions. J.Am.Chem.Soc., 143, 2021
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4HUR
| Crystal structure of streptogramin group A antibiotic acetyltransferase VatA from Staphylococcus aureus in complex with acetyl coenzyme A | Descriptor: | 1,2-ETHANEDIOL, ACETYL COENZYME *A, CHLORIDE ION, ... | Authors: | Stogios, P.J, Minasov, G, Evdokimova, E, Wawrzak, Z, Yim, V, Krishnamoorthy, M, Di Leo, R, Courvalin, P, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2012-11-03 | Release date: | 2012-11-14 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Potential for Reduction of Streptogramin A Resistance Revealed by Structural Analysis of Acetyltransferase VatA. Antimicrob.Agents Chemother., 58, 2014
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7AU5
| Tubulin-noscapine-analogue-14e complex | Descriptor: | (5~{R})-5-[(1~{S})-4,5-dimethoxy-1,3-dihydro-2-benzofuran-1-yl]-~{N}-ethyl-4-methoxy-7,8-dihydro-5~{H}-[1,3]dioxolo[4,5-g]isoquinoline-6-carboxamide, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ... | Authors: | Yong, C, Devine, S.M, Abel, A.-C, Muthiah, D, Gao, X, Callaghan, R, Capuano, B, Steinmetz, M.O, Prota, A.E, Scammels, P.J. | Deposit date: | 2020-11-02 | Release date: | 2021-07-07 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | 1,3-Benzodioxole-Modified Noscapine Analogues: Synthesis, Antiproliferative Activity, and Tubulin-Bound Structure. Chemmedchem, 16, 2021
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3DL2
| Hexagonal structure of the LDH domain of Human Ubiquitin-conjugating Enzyme E2-like Isoform A | Descriptor: | PHOSPHATE ION, SODIUM ION, Ubiquitin-conjugating enzyme E2 variant 3 | Authors: | Walker, J.R, Avvakumov, G.V, Xue, S, Newman, E.M, Finerty Jr, P.J, Butler-Cole, C, Bountra, C, Wolkstrom, M, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC) | Deposit date: | 2008-06-26 | Release date: | 2008-07-15 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural Investigation Into the L-Lactate Dehydrogenase Domain of Human Ubiquitin-Conjugating Enzyme E2-Like Isoform A. To be Published
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5TTW
| Crystal Structure of EED in Complex with UNC4859 | Descriptor: | Polycomb protein EED, SULFATE ION, UNC4859, ... | Authors: | The, J, Barnash, K.D, Brown, P.J, Edwards, A.M, Bountra, C, Frye, S.V, James, L.I, Arrowsmith, C.H. | Deposit date: | 2016-11-04 | Release date: | 2017-01-11 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | Discovery of Peptidomimetic Ligands of EED as Allosteric Inhibitors of PRC2. ACS Comb Sci, 19, 2017
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3F35
| Apoferritin: complex with 2,6-diethylphenol | Descriptor: | 2,6-diethylphenol, CADMIUM ION, Ferritin light chain, ... | Authors: | Vedula, L.S, Economou, N.J, Rossi, M.J, Eckenhoff, R.G, Loll, P.J. | Deposit date: | 2008-10-30 | Release date: | 2009-07-14 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | A unitary anesthetic binding site at high resolution. J.Biol.Chem., 284, 2009
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1OBT
| STRUCTURE OF RICIN A CHAIN MUTANT, COMPLEX WITH AMP | Descriptor: | ADENOSINE MONOPHOSPHATE, RICIN A CHAIN | Authors: | Day, P.J, Ernst, S.R, Frankel, A.E, Monzingo, A.F, Pascal, J.M, Svinth, M, Robertus, J.D. | Deposit date: | 1996-06-22 | Release date: | 1997-06-16 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structure and activity of an active site substitution of ricin A chain. Biochemistry, 35, 1996
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1OBS
| STRUCTURE OF RICIN A CHAIN MUTANT | Descriptor: | RICIN A CHAIN | Authors: | Day, P.J, Ernst, S.R, Frankel, A.E, Monzingo, A.F, Pascal, J.M, Svinth, M, Robertus, J.D. | Deposit date: | 1996-06-25 | Release date: | 1997-06-16 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structure and activity of an active site substitution of ricin A chain. Biochemistry, 35, 1996
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3MKH
| Podospora anserina Nitroalkane Oxidase | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, MAGNESIUM ION, NITROALKANE OXIDASE, ... | Authors: | Tormos, J.R, Taylor, A.B, Daubner, S.C, Hart, P.J, Fitzpatrick, P.F. | Deposit date: | 2010-04-14 | Release date: | 2010-06-02 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.995 Å) | Cite: | Identification of a hypothetical protein from Podospora anserina as a nitroalkane oxidase. Biochemistry, 49, 2010
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4QQE
| Crystal structure of WDR5, WD repeat domain 5 in complex with compound SGC-DS-MT-0345 | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, N-[2-(4-methylpiperazin-1-yl)-5-(quinolin-3-yl)phenyl]-6-oxo-4-(trifluoromethyl)-1,6-dihydropyridine-3-carboxamide, ... | Authors: | Dong, A, Dombrovski, L, Wernimont, A, Smil, D, Getlik, M, Senisterra, G, Poda, G, Al-Awar, R, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Brown, P.J, Schapira, M, Vedadi, M, Wu, H, Structural Genomics Consortium (SGC) | Deposit date: | 2014-06-27 | Release date: | 2014-07-30 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structure of WDR5, WD repeat domain 5 in complex with compound SGC-DS-MT-0345 To be Published
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4HSG
| Crystal structure of human PRMT3 in complex with an allosteric inhibitor (PRMT3- KTD) | Descriptor: | 1-(1,2,3-benzothiadiazol-6-yl)-3-(2-oxo-2-phenylethyl)urea, PRMT3 protein, UNKNOWN ATOM OR ION | Authors: | Dobrovetsky, E, Dong, A, Liu, F, Li, F, Tempel, W, Siarheyeva, A, Hajian, T, Smil, D, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Brown, P.J, Schapira, M, Jin, J, Vedadi, M, Structural Genomics Consortium (SGC) | Deposit date: | 2012-10-30 | Release date: | 2012-12-05 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Exploiting an allosteric binding site of PRMT3 yields potent and selective inhibitors. J. Med. Chem., 56, 2013
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1OA4
| Comparison of Family 12 Glycoside Hydrolases and Recruited Substitutions Important for Thermal Stability | Descriptor: | ENDO-BETA-1,4-GLUCANASE | Authors: | Sandgren, M, Gualfetti, P.J, Shaw, A, Gross, L.S, Saldajeno, M, Day, A.G, Jones, T.A, Mitchinson, C. | Deposit date: | 2002-12-28 | Release date: | 2003-03-27 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Comparison of Family 12 Glycoside Hydrolases and Recruited Substitutions Important for Thermal Stability Protein Sci., 12, 2003
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3IK2
| Crystal Structure of a Glycoside Hydrolase Family 44 Endoglucanase produced by Clostridium acetobutylium ATCC 824 | Descriptor: | ACETATE ION, CALCIUM ION, CHLORIDE ION, ... | Authors: | Warner, C.D, Hoy, J.A, Ford, C.F, Honzatko, R.B, Reilly, P.J. | Deposit date: | 2009-08-05 | Release date: | 2009-08-18 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Tertiary structure and characterization of a glycoside hydrolase family 44 endoglucanase from Clostridium acetobutylicum. Appl.Environ.Microbiol., 76, 2010
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1OBN
| ISOPENICILLIN N SYNTHASE aminoadipoyl-cysteinyl-aminobutyrate-FE-NO COMPLEX | Descriptor: | DELTA-(L-ALPHA-AMINOADIPOYL)-L-CYSTEINYL-D-VINYLGLYCINE, FE (II) ION, HYDROXYAMINE, ... | Authors: | Long, A.J, Clifton, I.J, Roach, P.L, Baldwin, J.E, Schofield, C.J, Rutledge, P.J. | Deposit date: | 2003-01-31 | Release date: | 2004-02-02 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Structural Studies on the Reaction of Isopenicillin N Synthase with the Substrate Analogue Delta-(L-Alpha-Aminoadipoyl)-L-Cysteinyl-D-Alpha-Aminobutyrate. Biochem.J., 372, 2003
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1OEZ
| Zn His46Arg mutant of Human Cu, Zn Superoxide Dismutase | Descriptor: | SULFATE ION, SUPEROXIDE DISMUTASE [CU-ZN], ZINC ION | Authors: | Strange, R.W, Antonyuk, S, Hough, M.A, Doucette, P, Rodriguez, J, Elam, J.S, Hart, P.J, Hayward, L.J, Valentine, J.S, Hasnain, S.S. | Deposit date: | 2003-04-02 | Release date: | 2003-05-29 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Amyloid-Like Filaments and Water-Filled Nanotubes Formed by Sod1 Mutant Proteins Linked to Familial Als Nat.Struct.Biol., 10, 2003
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3F33
| Apoferritin: complex with propofol | Descriptor: | 2,6-BIS(1-METHYLETHYL)PHENOL, CADMIUM ION, Ferritin light chain, ... | Authors: | Vedula, L.S, Economou, N.J, Rossi, M.J, Eckenhoff, R.G, Loll, P.J. | Deposit date: | 2008-10-30 | Release date: | 2009-07-14 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | A unitary anesthetic binding site at high resolution. J.Biol.Chem., 284, 2009
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3IT8
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5TPA
| Structure of the human GluN1/GluN2A LBD in complex with compound 9 (GNE3500) | Descriptor: | (1R,2R)-2-(2-{[5-chloro-3-(trifluoromethyl)-1H-pyrazol-1-yl]methyl}-7-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-6-yl)cyclopropane-1-carbonitrile, GLUTAMIC ACID, GLYCINE, ... | Authors: | Wallweber, H.J.A, Lupardus, P.J. | Deposit date: | 2016-10-20 | Release date: | 2016-11-30 | Last modified: | 2017-02-01 | Method: | X-RAY DIFFRACTION (2.48 Å) | Cite: | GluN2A-Selective Pyridopyrimidinone Series of NMDAR Positive Allosteric Modulators with an Improved in Vivo Profile. ACS Med Chem Lett, 8, 2017
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3ISS
| Crystal structure of enolpyruvyl-UDP-GlcNAc synthase (MurA):UDP-N-acetylmuramic acid:phosphite from Escherichia coli | Descriptor: | PHOSPHITE ION, UDP-N-acetylglucosamine 1-carboxyvinyltransferase, URIDINE-DIPHOSPHATE-2(N-ACETYLGLUCOSAMINYL) BUTYRIC ACID | Authors: | Jackson, S.G, Zhang, F, Chindemi, P, Junop, M.S, Berti, P.J. | Deposit date: | 2009-08-27 | Release date: | 2009-11-24 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Evidence of Kinetic Control of Ligand Binding and Staged Product Release in MurA (Enolpyruvyl UDP-GlcNAc Synthase)-Catalyzed Reactions . Biochemistry, 48, 2009
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4PHM
| The Structural Basis of Differential Inhibition of Human Calpain by Indole and Phenyl alpha-Mercaptoacrylic Acids | Descriptor: | 3-(5-bromo-1H-indol-3-yl)-2-thioxopropanoic acid, CALCIUM ION, Calpain small subunit 1 | Authors: | Rizkallah, P.J, Allemann, R.K, Adams, S.E, Miller, D.J, Hallett, M.B. | Deposit date: | 2014-05-06 | Release date: | 2014-08-13 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | The structural basis of differential inhibition of human calpain by indole and phenyl alpha-mercaptoacrylic acids. J.Struct.Biol., 187, 2014
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