5UDW
| LarE, a sulfur transferase involved in synthesis of the cofactor for lactate racemase, in complex with nickel | Descriptor: | Lactate racemization operon protein LarE, NICKEL (II) ION, PHOSPHATE ION, ... | Authors: | Fellner, M, Desguin, B, Hausinger, R.P, Hu, J. | Deposit date: | 2016-12-28 | Release date: | 2017-08-23 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.698 Å) | Cite: | Structural insights into the catalytic mechanism of a sacrificial sulfur insertase of the N-type ATP pyrophosphatase family, LarE. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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5TRV
| Crystal structure of a de novo designed protein with curved beta-sheet | Descriptor: | DI(HYDROXYETHYL)ETHER, denovo NTF2 | Authors: | Basanta, B, Oberdorfer, G, Marcos, E, Chidyausiku, T.M, Sankaran, B, Baker, D. | Deposit date: | 2016-10-27 | Release date: | 2017-01-25 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.91 Å) | Cite: | Principles for designing proteins with cavities formed by curved beta sheets. Science, 355, 2017
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5TWY
| Structure of Maternal Embryonic Leucine Zipper Kinase | Descriptor: | 2-(benzyloxy)-4-(1H-pyrazol-4-yl)-N-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)benzamide, Maternal embryonic leucine zipper kinase | Authors: | Seo, H.-S, Dhe-Paganon, S. | Deposit date: | 2016-11-15 | Release date: | 2017-11-22 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.91 Å) | Cite: | MELK is not necessary for the proliferation of basal-like breast cancer cells. Elife, 6, 2017
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5TUJ
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5TWX
| Crystal Structure of BRD9 bromodomain | Descriptor: | Bromodomain-containing protein 9, N-[6-({2-[(3S)-2,6-dioxopiperidin-3-yl]-1,3-dioxo-2,3-dihydro-1H-isoindol-4-yl}oxy)hexyl]-2-(4-{2-[N-(1,1-dioxo-1lambda~6~-thian-4-yl)carbamimidoyl]-5-methyl-4-oxo-4,5-dihydrothieno[3,2-c]pyridin-7-yl}-2-methoxyphenoxy)acetamide | Authors: | Seo, H.-S, Dhe-Paganon, S. | Deposit date: | 2016-11-15 | Release date: | 2017-09-27 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Degradation of the BAF Complex Factor BRD9 by Heterobifunctional Ligands. Angew. Chem. Int. Ed. Engl., 56, 2017
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5TXF
| Crystal structure of Lecithin:cholesterol acyltransferase (LCAT) in a closed conformation | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Phosphatidylcholine-sterol acyltransferase, ... | Authors: | Manthei, K.A, Glukhova, A, Tesmer, J.J.G. | Deposit date: | 2016-11-16 | Release date: | 2017-10-25 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | A retractable lid in lecithin:cholesterol acyltransferase provides a structural mechanism for activation by apolipoprotein A-I. J. Biol. Chem., 292, 2017
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5TYT
| Crystal Structure of the PDZ domain of RhoGEF bound to CXCR2 C-terminal peptide | Descriptor: | Rho guanine nucleotide exchange factor 11, C-X-C chemokine receptor type 2 chimera | Authors: | Spellmon, N, Holcomb, J, Niu, A, Choudhary, V, Sun, X, Brunzelle, J, Li, C, Yang, Z. | Deposit date: | 2016-11-21 | Release date: | 2017-02-22 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.398 Å) | Cite: | Structural basis of PDZ-mediated chemokine receptor CXCR2 scaffolding by guanine nucleotide exchange factor PDZ-RhoGEF. Biochem. Biophys. Res. Commun., 485, 2017
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5TZH
| CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 2A IN COMPLEX WITH 3,3-difluoro-1-[(4-fluorophenyl)carbonyl]-5-{5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl}piperidine | Descriptor: | MAGNESIUM ION, ZINC ION, [(5S)-3,3-difluoro-5-(5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl](4-fluorophenyl)methanone, ... | Authors: | Xu, R, Aertgeerts, K. | Deposit date: | 2016-11-21 | Release date: | 2017-02-22 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Design and Synthesis of Novel and Selective Phosphodiesterase 2 (PDE2a) Inhibitors for the Treatment of Memory Disorders. J. Med. Chem., 60, 2017
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5U06
| Grb7-SH2 with bicyclic peptide inhibitor containing a pY mimetic | Descriptor: | Growth factor receptor-bound protein 7, POTASSIUM ION, bicyclic peptide inhibitor: LYS-PHE-GLU-GLY-CMF-ASP-ASN-GLU-CST | Authors: | Watson, G.M, Wilce, J.A. | Deposit date: | 2016-11-22 | Release date: | 2017-11-15 | Last modified: | 2020-01-08 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Discovery, Development, and Cellular Delivery of Potent and Selective Bicyclic Peptide Inhibitors of Grb7 Cancer Target. J. Med. Chem., 60, 2017
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5U11
| E. coli dihydropteroate synthase complexed with an 8-mercaptoguanine derivative: 2-[(2-amino-6-oxo-6,9-dihydro-1H-purin-8-yl)sulfanyl]-N-methylacetamide | Descriptor: | 2-[(2-amino-6-oxo-6,9-dihydro-1H-purin-8-yl)sulfanyl]-N-methylacetamide, Dihydropteroate synthase | Authors: | Dennis, M.L, Peat, T.S, Swarbrick, J.D. | Deposit date: | 2016-11-27 | Release date: | 2017-12-06 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.994 Å) | Cite: | 8-Mercaptoguanine Derivatives as Inhibitors of Dihydropteroate Synthase. Chemistry, 24, 2018
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5U3Q
| Human PPARdelta ligand-binding domain in complexed with specific agonist 1 | Descriptor: | 6-(2-{[([1,1'-biphenyl]-4-carbonyl)(propan-2-yl)amino]methyl}phenoxy)hexanoic acid, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Wu, C.-C, Baiga, T.J, Downes, M, La Clair, J.J, Atkins, A.R, Richard, S.B, Stockley-Noel, T.A, Bowman, M.E, Evans, R.M, Noel, J.P. | Deposit date: | 2016-12-03 | Release date: | 2017-03-22 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structural basis for specific ligation of the peroxisome proliferator-activated receptor delta. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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5U4O
| A 2.05A X-Ray Structureof A Bacterial Extracellular Solute-binding Protein, family 5 for Bacillus anthracis str. Ames | Descriptor: | ABC transporter substrate-binding protein | Authors: | Brunzelle, J.S, Wawrzak, Z, Sandoval, J, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2016-12-05 | Release date: | 2017-03-08 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | A 2.05A X-Ray Structureof A Bacterial Extracellular Solute-binding Protein, family 5 for Bacillus anthracis str. Ames To Be Published
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5U5V
| CcP gateless cavity | Descriptor: | 1H-benzimidazol-4-amine, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Fischer, M, Shoichet, B.K. | Deposit date: | 2016-12-07 | Release date: | 2017-02-01 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.222 Å) | Cite: | Testing inhomogeneous solvation theory in structure-based ligand discovery. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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5U61
| CcP gateless cavity | Descriptor: | 5-cyclopropyl-1H-imidazol-2-amine, PROTOPORPHYRIN IX CONTAINING FE, Peroxidase | Authors: | Fischer, M, Shoichet, B.K. | Deposit date: | 2016-12-07 | Release date: | 2017-02-01 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.222 Å) | Cite: | Testing inhomogeneous solvation theory in structure-based ligand discovery. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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5U5Z
| CcP gateless cavity | Descriptor: | 4-methyl-2-phenyl-1H-imidazole, PROTOPORPHYRIN IX CONTAINING FE, Peroxidase | Authors: | Fischer, M, Shoichet, B.K. | Deposit date: | 2016-12-07 | Release date: | 2017-02-01 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.26 Å) | Cite: | Testing inhomogeneous solvation theory in structure-based ligand discovery. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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5U7N
| CRYSTAL STRUCTURE OF A CHIMERIC CUA DOMAIN (SUBUNIT II) OF CYTOCHROME BA3 FROM THERMUS THERMOPHILUS WITH THE AMICYANIN LOOP | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, COPPER (II) ION, Cytochrome c oxidase subunit 2 | Authors: | Otero, L.H, Klinke, S, Espinoza-Cara, A, Vila, A.J. | Deposit date: | 2016-12-12 | Release date: | 2017-11-22 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Engineering a bifunctional copper site in the cupredoxin fold by loop-directed mutagenesis. Chem Sci, 9, 2018
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5TOH
| Crystal Structure of the Marburg Virus VP35 Oligomerization Domain I2 | Descriptor: | Polymerase cofactor VP35 | Authors: | Bruhn, J.F, Kirchdoerfer, R.N, Tickle, I.J, Bricogne, G, Saphire, E.O. | Deposit date: | 2016-10-17 | Release date: | 2016-11-09 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Crystal Structure of the Marburg Virus VP35 Oligomerization Domain. J. Virol., 91, 2017
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5TP3
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5TPS
| Structure of a Fc heterodimer | Descriptor: | Ig gamma-1 chain C region, beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | Authors: | Zhou, A, Wei, H. | Deposit date: | 2016-10-21 | Release date: | 2017-10-25 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | A new Fc heterodimer To be published
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5UA2
| Mycobacterium tuberculosis KstR in complex with a 26-bp DNA operator | Descriptor: | DNA (5'-D(P*AP*CP*TP*AP*TP*TP*AP*GP*AP*AP*CP*AP*CP*GP*TP*TP*CP*TP*AP*GP*TP*GP*GP*G)-3'), DNA (5'-D(P*CP*CP*CP*AP*CP*TP*AP*GP*AP*AP*CP*GP*TP*GP*TP*TP*CP*TP*AP*AP*TP*AP*GP*T)-3'), HTH-type transcriptional repressor KstR, ... | Authors: | Ho, N.A.T, Dawes, S.S, Baker, E.N, Lott, J.S, TB Structural Genomics Consortium (TBSGC) | Deposit date: | 2016-12-18 | Release date: | 2017-12-20 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.9002 Å) | Cite: | Crystal structure of KstR in complex with cognate DNA operator To Be Published
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5UDT
| LarE, a sulfur transferase involved in synthesis of the cofactor for lactate racemase, in complex with AMP | Descriptor: | ADENOSINE MONOPHOSPHATE, Lactate racemization operon protein LarE, PHOSPHATE ION | Authors: | Fellner, M, Desguin, B, Hausinger, R.P, Hu, J. | Deposit date: | 2016-12-28 | Release date: | 2017-08-23 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3.188 Å) | Cite: | Structural insights into the catalytic mechanism of a sacrificial sulfur insertase of the N-type ATP pyrophosphatase family, LarE. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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5TUG
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5TUP
| X-ray Crystal Structure of the Aspergillus fumigatus Sliding Clamp | Descriptor: | Proliferating cell nuclear antigen | Authors: | Bruning, J.B, Marshall, A.C, Kroker, A.J, Wegener, K.L, Rajapaksha, H. | Deposit date: | 2016-11-06 | Release date: | 2017-02-22 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.602 Å) | Cite: | Structure of the sliding clamp from the fungal pathogen Aspergillus fumigatus (AfumPCNA) and interactions with Human p21. FEBS J., 284, 2017
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5TQZ
| Frutapin complexed with alpha-D-glucose | Descriptor: | Frutapin, alpha-D-glucopyranose | Authors: | Sousa, F.D, Guo, J, Coker, A.R, Monteiro-Moreira, A.C.O, Moreira, R.A. | Deposit date: | 2016-10-25 | Release date: | 2017-07-19 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Frutapin, a lectin fromArtocarpus incisa(breadfruit): cloning, expression and molecular insights. Biosci. Rep., 37, 2017
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5TW8
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