5N5W
| 14-3-3 sigma in complex with TAZ pS89 peptide and fragment NV3 | Descriptor: | 14-3-3 protein sigma, 4-[3,5-bis(chloranyl)pyridin-2-yl]oxyaniline, CALCIUM ION, ... | Authors: | Sijbesma, E, Leysen, S, Ottmann, C. | Deposit date: | 2017-02-14 | Release date: | 2017-07-19 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.37 Å) | Cite: | Identification of Two Secondary Ligand Binding Sites in 14-3-3 Proteins Using Fragment Screening. Biochemistry, 56, 2017
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3FP7
| Anionic trypsin variant S195A in complex with bovine pancreatic trypsin inhibitor (BPTI) cleaved at the scissile bond (LYS15-ALA16) determined to the 1.46 A resolution limit | Descriptor: | 1,2-ETHANEDIOL, Anionic trypsin-2, CALCIUM ION, ... | Authors: | Zakharova, E, Horvath, M.P, Goldenberg, D.P. | Deposit date: | 2009-01-04 | Release date: | 2009-02-17 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.46 Å) | Cite: | Structure of a serine protease poised to resynthesize a peptide bond. Proc.Natl.Acad.Sci.USA, 106, 2009
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5KCO
| SETDB1 in complex with an early stage, low affinity fragment candidate modelled at reduced occupancy | Descriptor: | DIMETHYL SULFOXIDE, Histone-lysine N-methyltransferase SETDB1, SULFATE ION, ... | Authors: | Tempel, W, Harding, R.J, Mader, P, Dobrovetsky, E, Walker, J.R, Brown, P.J, Schapira, M, Collins, P, Pearce, N, Brandao-Neto, J, Douangamath, A, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Santhakumar, V, Structural Genomics Consortium (SGC) | Deposit date: | 2016-06-06 | Release date: | 2016-07-27 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.47 Å) | Cite: | SETDB1 in complex with an early stage, low affinity fragment candidate modelled at reduced occupancy To Be Published
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5N03
| Crystal structure of the decarboxylase AibA/AibB C56V variant | Descriptor: | ACETATE ION, Glutaconate CoA-transferase family, subunit A, ... | Authors: | Bock, T, Luxenburger, E, Hoffmann, J, Schuetza, V, Feiler, C, Mueller, R, Blankenfeldt, W. | Deposit date: | 2017-02-02 | Release date: | 2017-05-31 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | AibA/AibB Induces an Intramolecular Decarboxylation in Isovalerate Biosynthesis by Myxococcus xanthus. Angew. Chem. Int. Ed. Engl., 56, 2017
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4E1D
| Structure of a VgrG Vibrio cholerae toxin ACD domain in complex with ADP and Mn++ | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MANGANESE (II) ION, SULFATE ION, ... | Authors: | Durand, E, Audoly, G, Derrez, E, Spinelli, S, Ortiz-Lombardia, M, Cascales, E, Raoult, D, Cambillau, C. | Deposit date: | 2012-03-06 | Release date: | 2012-08-29 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.49 Å) | Cite: | Structure and functional characterization of the Vibrio cholerae toxin
from the VgrG/MARTX family. J.Biol.Chem., 2012
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6HZN
| Crystal structure of human dermatan sulfate epimerase 1 | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Hasan, M, Unge, J, Westergren-Thorsson, G, Ellervik, U, Mueller, U, Malmstrom, A, Tykesson, E. | Deposit date: | 2018-10-23 | Release date: | 2020-01-22 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.41 Å) | Cite: | The structure of human dermatan sulfate epimerase 1 emphasizes the importance of C5-epimerization of glucuronic acid in higher organisms Chem Sci, 2020
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1L8H
| DNA PROTECTION AND BINDING BY E. COLI DPS PROTEIN | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DNA PROTECTION DURING STARVATION PROTEIN, POTASSIUM ION | Authors: | Luo, J, Liu, D, White, M.A, Fox, R.O. | Deposit date: | 2002-03-20 | Release date: | 2003-06-24 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | DNA Protection and Binding by E. Coli Dps Protein To be Published
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1H4D
| Biochemical and Structural Analysis of the Molybdenum Cofactor Biosynthesis protein MobA | Descriptor: | CITRIC ACID, LITHIUM ION, MOLYBDOPTERIN-GUANINE DINUCLEOTIDE BIOSYNTHESIS PROTEIN A | Authors: | Guse, A, Stevenson, C.E.M, Kuper, J, Buchanan, G, Schwarz, G, Mendel, R.R, Lawson, D.M, Palmer, T. | Deposit date: | 2003-02-26 | Release date: | 2003-05-08 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | Biochemical and Structural Analysis of the Molybdenum Cofactor Biosynthesis Protein Moba J.Biol.Chem., 278, 2003
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6UCV
| Cryo-EM structure of the mitochondrial TOM complex from yeast (tetramer) | Descriptor: | 1,2-DIMYRISTOYL-RAC-GLYCERO-3-PHOSPHOCHOLINE, Mitochondrial import receptor subunit TOM22, Mitochondrial import receptor subunit TOM40, ... | Authors: | Park, E, Tucker, K. | Deposit date: | 2019-09-17 | Release date: | 2019-11-06 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (4.1 Å) | Cite: | Cryo-EM structure of the mitochondrial protein-import channel TOM complex at near-atomic resolution. Nat.Struct.Mol.Biol., 26, 2019
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8UKD
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5KCF
| Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with an N-ethyl, 4-methoxybenzyl OBHS-N derivative | Descriptor: | (1R,2S,4R)-N-ethyl-5,6-bis(4-hydroxyphenyl)-N-(4-methoxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide, (1S,2R,4S)-N-ethyl-5,6-bis(4-hydroxyphenyl)-N-(4-methoxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide, Estrogen receptor, ... | Authors: | Nwachukwu, J.C, Srinivasan, S, Bruno, N.E, Dharmarajan, V, Goswami, D, Kastrati, I, Novick, S, Nowak, J, Zhou, H.B, Boonmuen, N, Zhao, Y, Min, J, Frasor, J, Katzenellenbogen, B.S, Griffin, P.R, Katzenellenbogen, J.A, Nettles, K.W. | Deposit date: | 2016-06-06 | Release date: | 2016-11-16 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.07 Å) | Cite: | Full antagonism of the estrogen receptor without a prototypical ligand side chain. Nat. Chem. Biol., 13, 2017
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5KCT
| Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with an N-ethyl, 4-chlorobenzyl OBHS-N derivative | Descriptor: | (1R,2S,4R)-N-(4-chlorophenyl)-N-ethyl-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide, (1S,2R,4S)-N-(4-chlorophenyl)-N-ethyl-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide, Estrogen receptor, ... | Authors: | Nwachukwu, J.C, Srinivasan, S, Bruno, N.E, Dharmarajan, V, Goswami, D, Kastrati, I, Novick, S, Nowak, J, Zhou, H.B, Boonmuen, N, Zhao, Y, Min, J, Frasor, J, Katzenellenbogen, B.S, Griffin, P.R, Katzenellenbogen, J.A, Nettles, K.W. | Deposit date: | 2016-06-07 | Release date: | 2016-11-16 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Full antagonism of the estrogen receptor without a prototypical ligand side chain. Nat. Chem. Biol., 13, 2017
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6GIX
| Water-soluble Chlorophyll Protein (WSCP) from Lepidium virginicum (Mutation L91P) with Chlorophyll-b | Descriptor: | CHLOROPHYLL B, Water-soluble chlorophyll protein | Authors: | Palm, D.M, Agostini, A, Averesch, V, Girr, P, Werwie, M, Takahashi, S, Satoh, H, Jaenicke, E, Paulsen, H. | Deposit date: | 2018-05-15 | Release date: | 2018-10-17 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Chlorophyll a/b binding-specificity in water-soluble chlorophyll protein. Nat Plants, 4, 2018
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1CP5
| RECOMBINANT SPERM WHALE MYOGLOBIN L104F MUTANT (MET) | Descriptor: | PROTEIN (MYOGLOBIN), PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION | Authors: | Liong, E.C, Phillips Jr, G.N. | Deposit date: | 1999-06-07 | Release date: | 1999-06-14 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Waterproofing the heme pocket. Role of proximal amino acid side chains in preventing hemin loss from myoglobin. J.Biol.Chem., 276, 2001
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5KEQ
| High resolution cryo-EM maps of Human papillomavirus 16 reveal L2 location and heparin-induced conformational changes | Descriptor: | Major capsid protein L1 | Authors: | Guan, J, Bywaters, S.M, Brendle, S.A, Ashley, R.E, Makhov, A.M, Conway, J.F, Christensen, N.D, Hafenstein, S. | Deposit date: | 2016-06-10 | Release date: | 2017-01-25 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (4.3 Å) | Cite: | Cryoelectron Microscopy Maps of Human Papillomavirus 16 Reveal L2 Densities and Heparin Binding Site. Structure, 25, 2017
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1TG7
| Native structure of beta-galactosidase from Penicillium sp. | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Rojas, A.L, Nagem, R.A.P, Neustroev, K.N, Arand, M, Adamska, M, Eneyskaya, E.V, Kulminskaya, A.A, Garratt, R.C, Golubev, A.M, Polikarpov, I. | Deposit date: | 2004-05-28 | Release date: | 2004-11-02 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal Structures of beta-Galactosidase from Penicillium sp. and its Complex with Galactose J.Mol.Biol., 343, 2004
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5MZJ
| Crystal structure of stabilized A2A adenosine receptor A2AR-StaR2-bRIL in complex with theophylline at 2.0A resolution | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Adenosine receptor A2a,Soluble cytochrome b562,Adenosine receptor A2a, CHOLESTEROL, ... | Authors: | Cheng, R.K.Y, Segala, E, Robertson, N, Deflorian, F, Dore, A.S, Errey, J.C, Fiez-Vandal, C, Marshall, F.H, Cooke, R.M. | Deposit date: | 2017-01-31 | Release date: | 2017-07-26 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structures of Human A1 and A2A Adenosine Receptors with Xanthines Reveal Determinants of Selectivity. Structure, 25, 2017
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5N2M
| Crystal structure of the first bromodomain of human BRD4 in complex with a tetrahydroquinoline analogue | Descriptor: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, propan-2-yl ~{N}-[(2~{S},4~{R})-6-(3-acetamidophenyl)-1-ethanoyl-2-methyl-3,4-dihydro-2~{H}-quinolin-4-yl]carbamate | Authors: | Tallant, C, Slavish, P.J, Siejka, P, Bharatham, N, Shadrick, W.R, Chai, S, Young, B.M, Boyd, V.A, Heroven, C, Wiggers, H.J, Picaud, S, Fedorov, O, Krojer, T, Chen, T, Lee, R.E, Guy, R.K, Shelat, A.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2017-02-07 | Release date: | 2018-02-28 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | Crystal structure of the first bromodomain of human BRD4 in complex with a tetrahydroquinoline analogue To Be Published
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5N05
| X-ray crystal structure of an LPMO | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Auxiliary activity 9, CHLORIDE ION, ... | Authors: | Frandsen, K.E.H, Poulsen, J.-C.N, Lo Leggio, L. | Deposit date: | 2017-02-02 | Release date: | 2017-03-29 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | Unliganded and substrate bound structures of the cellooligosaccharide active lytic polysaccharide monooxygenase LsAA9A at low pH. Carbohydr. Res., 448, 2017
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6GRT
| Paired immunoglobulin-like receptor B (PirB) or Leukocyte immunoglobulin-like receptor subfamily B member 3 (LILRB3) full extracellular domain | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Paired immunoglobulin-like receptor B, alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Vlieg, H.C, Huizinga, E.G, Janssen, B.J.C. | Deposit date: | 2018-06-12 | Release date: | 2019-02-06 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (4.504 Å) | Cite: | Structure and flexibility of the extracellular region of the PirB receptor. J.Biol.Chem., 294, 2019
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3FRU
| NEONATAL FC RECEPTOR, PH 6.5 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, BETA-2-MICROGLOBULIN, BETA-MERCAPTOETHANOL, ... | Authors: | Vaughn, D.E, Burmeister, W.P, Bjorkman, P.J. | Deposit date: | 1997-12-22 | Release date: | 1998-06-10 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural basis of pH-dependent antibody binding by the neonatal Fc receptor. Structure, 6, 1998
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1H6D
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6GIN
| Crystal structure of the ACVR1 (ALK2) kinase in complex with an Quinazolinone based ALK2 inhibitor with a 4-morpholinophenyl solvent accessible group. | Descriptor: | 1,2-ETHANEDIOL, 3-(4-morpholin-4-ylphenyl)-6-quinolin-4-yl-quinazolin-4-one, Activin receptor type-1, ... | Authors: | Williams, E, Hudson, L, Bezerra, G.A, Kopec, J, Mahajan, P, Kupinska, K, Hoelder, S, Burgess-Brown, N, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.N. | Deposit date: | 2018-05-14 | Release date: | 2018-05-23 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Novel Quinazolinone Inhibitors of ALK2 Flip between Alternate Binding Modes: Structure-Activity Relationship, Structural Characterization, Kinase Profiling, and Cellular Proof of Concept. J. Med. Chem., 61, 2018
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6B7L
| Aeromonas veronii immune modulator A | Descriptor: | CHLORIDE ION, FORMIC ACID, immune modulator A | Authors: | Sweeney, E.S, Remington, S.J, Perkins, A. | Deposit date: | 2017-10-04 | Release date: | 2018-10-03 | Last modified: | 2022-03-23 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | A bacterial immunomodulatory protein with lipocalin-like domains facilitates host-bacteria mutualism in larval zebrafish. Elife, 7, 2018
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2J3E
| Dimerization is important for the GTPase activity of chloroplast translocon components atToc33 and psToc159 | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, T7I23.11 PROTEIN | Authors: | Yeh, Y.-H, Kesavulu, M.M, Wu, S.-Z, Li, H.-M, Sun, Y.-J, Konozy, E.H, Hsiao, C.-D. | Deposit date: | 2006-08-21 | Release date: | 2007-03-27 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Dimerization is Important for the Gtpase Activity of Chloroplast Translocon Components Attoc33 and Pstoc159. J.Biol.Chem., 282, 2007
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