7JLW
 
 | | Sheep Connexin-50 at 2.5 angstroms resolution, Lipid Class 1 | | Descriptor: | 1,2-DIMYRISTOYL-RAC-GLYCERO-3-PHOSPHOCHOLINE, Gap junction alpha-8 protein | | Authors: | Flores, J.A, Haddad, B.G, Dolan, K.A, Myers, J.B, Yoshioka, C.C, Copperman, J, Zuckerman, D.M, Reichow, S.L. | | Deposit date: | 2020-07-30 | | Release date: | 2020-09-09 | | Method: | ELECTRON MICROSCOPY (2.5 Å) | | Cite: | Connexin-46/50 in a dynamic lipid environment resolved by CryoEM at 1.9 angstrom.
Nat Commun, 11, 2020
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5XGQ
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6HW1
 | | ROOM TEMPERATURE STRUCTURE OF LIPASE FROM T. LANUGINOSA AT 2.5 A RESOLUTION IN CHIPX MICROFLUIDIC DEVICE | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Lipase, MAGNESIUM ION, ... | | Authors: | Gavira, J.A, Fernadez-Penas, R, Martinez-Rodriguez, S, Verdugo-Escamilla, C. | | Deposit date: | 2018-10-11 | | Release date: | 2018-10-24 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | A simple and versatile microfluidic device for efficient biomacromolecule crystallization and structural analysis by serial crystallography.
Iucrj, 6, 2019
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6HW2
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2FT9
 | | Crystal structure of axolotl (Ambystoma mexicanum) liver bile acid-binding protein bound to cholic acid | | Descriptor: | CHOLIC ACID, Fatty acid-binding protein 2, liver | | Authors: | Capaldi, S, Guariento, M, Perduca, M, Di Pietro, S.M, Santome, J.A, Monaco, H.L. | | Deposit date: | 2006-01-24 | | Release date: | 2006-04-11 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal structure of axolotl (Ambystoma mexicanum) liver bile acid-binding protein bound to cholic and oleic acid
Proteins, 64, 2006
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6H7X
 | | First X-ray structure of full-length human RuvB-Like 2. | | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, ... | | Authors: | Silva, S, Brito, J.A, Matias, P, Bandeiras, T. | | Deposit date: | 2018-07-31 | | Release date: | 2018-08-08 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.892 Å) | | Cite: | X-ray structure of full-length human RuvB-Like 2 - mechanistic insights into coupling between ATP binding and mechanical action.
Sci Rep, 8, 2018
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6XTJ
 | | The high resolution structure of the FERM domain of human FERMT2 | | Descriptor: | CITRIC ACID, Fermitin family homolog 2,Fermitin family homolog 2,Fermitin family homolog 2 | | Authors: | Bradshaw, W.J, Katis, V.L, Newman, J.A, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. | | Deposit date: | 2020-01-16 | | Release date: | 2020-02-12 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | The high resolution structure of the FERM domain of human FERMT2
To Be Published
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6HMM
 | | POLYADPRIBOSYL GLYCOHYDROLASE IN COMPLEX WITH PDD00013907 | | Descriptor: | DIMETHYL SULFOXIDE, GLYCEROL, Poly(ADP-ribose) glycohydrolase, ... | | Authors: | Tucker, J.A, Brassington, C, Hassall, G. | | Deposit date: | 2018-09-12 | | Release date: | 2018-11-14 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Cell-Active Small Molecule Inhibitors of the DNA-Damage Repair Enzyme Poly(ADP-ribose) Glycohydrolase (PARG): Discovery and Optimization of Orally Bioavailable Quinazolinedione Sulfonamides.
J.Med.Chem., 61, 2018
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6HN1
 | | Complex of Caprine Serum Albumin with diclofenac | | Descriptor: | 2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACID, Albumin, CHLORIDE ION | | Authors: | Talaj, J.A, Bujacz, A, Bujacz, G. | | Deposit date: | 2018-09-13 | | Release date: | 2019-10-09 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Structural Investigation of Diclofenac Binding to Ovine, Caprine, and Leporine Serum Albumins.
Int J Mol Sci, 24, 2023
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5VFC
 | | WDR5 bound to inhibitor MM-589 | | Descriptor: | 1,2-ETHANEDIOL, N-{(3R,6S,9S,12R)-6-ethyl-12-methyl-9-[3-(N'-methylcarbamimidamido)propyl]-2,5,8,11-tetraoxo-3-phenyl-1,4,7,10-tetraazacyclotetradecan-12-yl}-2-methylpropanamide, SULFATE ION, ... | | Authors: | Stuckey, J.A. | | Deposit date: | 2017-04-07 | | Release date: | 2017-06-28 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.64 Å) | | Cite: | Discovery of a Highly Potent, Cell-Permeable Macrocyclic Peptidomimetic (MM-589) Targeting the WD Repeat Domain 5 Protein (WDR5)-Mixed Lineage Leukemia (MLL) Protein-Protein Interaction.
J. Med. Chem., 60, 2017
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5VGB
 | | Crystal structure of NmeCas9 HNH domain bound to anti-CRISPR AcrIIC1 | | Descriptor: | Anti-CRISPR protein (AcrIIC1), CRISPR-associated endonuclease Cas9, GLYCEROL, ... | | Authors: | Harrington, L.B, Doxzen, K.W, Ma, E, Knott, G.J, Kranzusch, P.J, Doudna, J.A. | | Deposit date: | 2017-04-10 | | Release date: | 2017-08-30 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.497 Å) | | Cite: | A Broad-Spectrum Inhibitor of CRISPR-Cas9.
Cell, 170, 2017
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6HWK
 | | Glucosamine kinase (crystal form B) | | Descriptor: | CHLORIDE ION, Glucosamine kinase, MAGNESIUM ION | | Authors: | Manso, J.A, Pereira, P.J.B. | | Deposit date: | 2018-10-12 | | Release date: | 2019-05-01 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.688 Å) | | Cite: | Molecular Fingerprints for a Novel Enzyme Family in Actinobacteria with Glucosamine Kinase Activity.
Mbio, 10, 2019
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6I09
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5VFX
 | | Structure of an accessory protein of the pCW3 relaxosome in complex with the origin of transfer (oriT) DNA | | Descriptor: | TcpK, oriT | | Authors: | Traore, D.A.K, Wisniewski, J.A, Flanigan, S.F, Conroy, P.J, Panjikar, S, Mok, Y.-F, Lao, C, Griffin, M.D.W, Adams, V, Rood, J.I, Whisstock, J.C. | | Deposit date: | 2017-04-10 | | Release date: | 2018-04-18 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.81 Å) | | Cite: | Crystal structure of TcpK in complex with oriT DNA of the antibiotic resistance plasmid pCW3.
Nat Commun, 9, 2018
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6HJL
 | | Affimer:BclxL | | Descriptor: | Affimer ADB13, Bcl-2-like protein 1 | | Authors: | Miles, J.A, Trinh, C.H, Tomlinson, D.C, Wilson, A.J, Edwards, T.A. | | Deposit date: | 2018-09-04 | | Release date: | 2020-03-18 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Selective Affimers Recognize BCL-2 Family Proteins Through Non-Canonical Structural Motifs
Biorxiv, 2020
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5V5B
 | | KVQIINKKLD, Structure of the amyloid spine from microtubule associated protein tau Repeat 2 | | Descriptor: | Microtubule-associated protein tau | | Authors: | Seidler, P.M, Sawaya, M.R, Rodriguez, J.A, Eisenberg, D.S, Cascio, D, Boyer, D.R. | | Deposit date: | 2017-03-13 | | Release date: | 2018-02-07 | | Last modified: | 2024-03-13 | | Method: | ELECTRON CRYSTALLOGRAPHY (1.5 Å) | | Cite: | Structure-based inhibitors of tau aggregation.
Nat Chem, 10, 2018
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6HML
 | | POLYADPRIBOSYL GLYCOSIDASE IN COMPLEX WITH PDD00017299 | | Descriptor: | 1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-6-[[(1-methylcyclopropyl)amino]-bis(oxidanyl)-$l^{4}-sulfanyl]-3-[(1-methylpyrazol-4-yl)methyl]quinazoline-2,4-dione, DIMETHYL SULFOXIDE, GLYCEROL, ... | | Authors: | Tucker, J.A, Barkauskaite, E. | | Deposit date: | 2018-09-12 | | Release date: | 2018-11-14 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Cell-Active Small Molecule Inhibitors of the DNA-Damage Repair Enzyme Poly(ADP-ribose) Glycohydrolase (PARG): Discovery and Optimization of Orally Bioavailable Quinazolinedione Sulfonamides.
J.Med.Chem., 61, 2018
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6I0A
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6HWJ
 | | Glucosamine kinase (crystal form A) | | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Manso, J.A, Pereira, P.J.B. | | Deposit date: | 2018-10-12 | | Release date: | 2019-05-01 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.979 Å) | | Cite: | Molecular Fingerprints for a Novel Enzyme Family in Actinobacteria with Glucosamine Kinase Activity.
Mbio, 10, 2019
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6FZQ
 | | Crystal structure of scFv-SM3 in complex with compound 3 | | Descriptor: | 1,2-ETHANEDIOL, 2-deoxy-2-[(difluoroacetyl)amino]-alpha-D-galactopyranose, Mucin-1, ... | | Authors: | Bermejo, I.A, Usabiaga, I, Companon, I, Castro-Lopez, J, Insausti, A, Fernandez, J.A, Avenoza, A, Busto, J.H, Jimenez-Barbero, J, Asensio, J.L, Jimenez-Oses, G, Peregrina, J.M, Hurtado-Guerrero, R, Cocinero, E.J, Corzana, F. | | Deposit date: | 2018-03-15 | | Release date: | 2019-02-20 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Water Sculpts the Distinctive Shapes and Dynamics of the Tumor-Associated Carbohydrate Tn Antigens: Implications for Their Molecular Recognition.
J.Am.Chem.Soc., 140, 2018
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5UP9
 | | Crystal Structure of Zn-bound Human Heavy-Chain ferritin variant 122H-delta C-star with para-xylenedihydroxamate | | Descriptor: | 2,2'-(1,4-phenylene)bis(N-hydroxyacetamide), DI(HYDROXYETHYL)ETHER, Ferritin heavy chain, ... | | Authors: | Bailey, J.B, Zhang, L, Chiong, J.A, Ahn, S, Tezcan, F.A. | | Deposit date: | 2017-02-01 | | Release date: | 2017-09-27 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Synthetic Modularity of Protein-Metal-Organic Frameworks.
J. Am. Chem. Soc., 139, 2017
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6XP9
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6FZR
 | | Crystal structure of scFv-SM3 in complex with compound 2 | | Descriptor: | 1,2-ETHANEDIOL, 2-deoxy-2-[(fluoroacetyl)amino]-alpha-D-galactopyranose, Mucin-1, ... | | Authors: | Bermejo, I.A, Usabiaga, I, Companon, I, Castro-Lopez, J, Insausti, A, Fernandez, J.A, Avenoza, A, Busto, J.H, Jimenez-Barbero, J, Asensio, J.L, Jimenez-Oses, G, Peregrina, J.M, Hurtado-Guerrero, R, Cocinero, E.J, Corzana, F. | | Deposit date: | 2018-03-15 | | Release date: | 2019-02-20 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Water Sculpts the Distinctive Shapes and Dynamics of the Tumor-Associated Carbohydrate Tn Antigens: Implications for Their Molecular Recognition.
J.Am.Chem.Soc., 140, 2018
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5XET
 | | Crystal structure of Mycobacterium tuberculosis methionyl-tRNA synthetase bound by methionyl-adenylate (Met-AMP) | | Descriptor: | 1,2-ETHANEDIOL, MAGNESIUM ION, Methionine--tRNA ligase, ... | | Authors: | Wang, W, Qin, B, Wojdyla, J.A, Wang, M, Gao, X, Cui, S. | | Deposit date: | 2017-04-06 | | Release date: | 2018-07-11 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.38 Å) | | Cite: | Structural characterization of free-state and product-stateMycobacterium tuberculosismethionyl-tRNA synthetase reveals an induced-fit ligand-recognition mechanism.
IUCrJ, 5, 2018
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6Y43
 | | Fibrinogen-like globe domain of human ANGPTL6 | | Descriptor: | 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Angiopoietin-related protein 6, ... | | Authors: | Coker, J.A, Krojer, T, Mutisya, J.M, Arrowsmith, C.H, Bountra, C, Midwood, K.S, Yue, W.W, Marsden, B.D, Structural Genomics Consortium (SGC) | | Deposit date: | 2020-02-19 | | Release date: | 2020-03-04 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Fibrinogen-like globe domain of human ANGPTL6
To Be Published
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