5LFS
 
 | | Lambda-[Ru(bpy)2(dppz)]2+ bound to brominated DNA | | Descriptor: | BARIUM ION, CHLORIDE ION, DNA (5'-D(*(CBR)P*GP*GP*C)-3'), ... | | Authors: | Hall, J.P, Cardin, C.J. | | Deposit date: | 2016-07-04 | | Release date: | 2017-02-15 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Guanine Can Direct Binding Specificity of Ru-dipyridophenazine (dppz) Complexes to DNA through Steric Effects.
Chemistry, 23, 2017
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4PI7
 | | Crystal structure of S. Aureus Autolysin E in complex with disaccharide NAM-NAG | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-N-acetyl-beta-muramic acid, Autolysin E, CHLORIDE ION, ... | | Authors: | Mihelic, M, Renko, M, Jakas, A, Turk, D. | | Deposit date: | 2014-05-08 | | Release date: | 2015-10-14 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | The mechanism behind the selection of two different cleavage sites in NAG-NAM polymers
Iucrj, 4, 2017
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6D51
 | | Crystal structure of L,D-transpeptidase 3 from Mycobacterium tuberculosis in complex with a faropenem-derived adduct | | Descriptor: | ACETYL GROUP, CALCIUM ION, Probable L,D-transpeptidase 3 | | Authors: | Libreros, G.A, Dias, M.V.B. | | Deposit date: | 2018-04-19 | | Release date: | 2019-02-27 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.83 Å) | | Cite: | Structural Basis for the Interaction and Processing of beta-Lactam Antibiotics by l,d-Transpeptidase 3 (LdtMt3) from Mycobacterium tuberculosis.
ACS Infect Dis, 5, 2019
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6FUT
 | | Complement factor D in complex with the inhibitor (S)-3'-(aminomethyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-[1,1'-biphenyl]-3-carboxamide | | Descriptor: | 3-[3-(aminomethyl)phenyl]-~{N}-[(1~{S})-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide, Complement factor D, SUCCINIC ACID | | Authors: | Mac Sweeney, A, Vulpetti, A, Erbel, P, Lorthiois, E, Maibaum, J, Randl, S. | | Deposit date: | 2018-02-27 | | Release date: | 2018-06-06 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Discovery and Design of First Benzylamine-Based Ligands Binding to an Unlocked Conformation of the Complement Factor D.
ACS Med Chem Lett, 9, 2018
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6PNJ
 | | Structure of Photosystem I Acclimated to Far-red Light | | Descriptor: | 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, BETA-CAROTENE, ... | | Authors: | Gisriel, C.J, Shen, G, Kurashov, V, Ho, M, Zhang, S, Williams, D, Golbeck, J.H, Fromme, P, Bryant, D.A. | | Deposit date: | 2019-07-02 | | Release date: | 2020-02-12 | | Last modified: | 2020-02-26 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | The structure of Photosystem I acclimated to far-red light illuminates an ecologically important acclimation process in photosynthesis
Sci Adv, 6, 2020
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4PI8
 | | Crystal structure of catalytic mutant E138A of S. Aureus Autolysin E in complex with disaccharide NAG-NAM | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-N-acetyl-beta-muramic acid, Autolysin E, CHLORIDE ION, ... | | Authors: | Mihelic, M, Renko, M, Jakas, A, Turk, D. | | Deposit date: | 2014-05-08 | | Release date: | 2015-10-14 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.39 Å) | | Cite: | The mechanism behind the selection of two different cleavage sites in NAG-NAM polymers
Iucrj, 4, 2017
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5EIX
 | | QUINOLONE-STABILIZED CLEAVAGE COMPLEX OF TOPOISOMERASE IV FROM KLEBSIELLA PNEUMONIAE | | Descriptor: | (3S)-9-fluoro-3-methyl-10-(4-methylpiperazin-1-yl)-7-oxo-2,3-dihydro-7H-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylic acid, DNA topoisomerase 4 subunit B,DNA topoisomerase 4 subunit A, MAGNESIUM ION, ... | | Authors: | Veselkov, D.A, Laponogov, I, Pan, X.-S, Selvarajah, J, Branstrom, A, Fisher, L.M, Sanderson, M.R. | | Deposit date: | 2015-10-30 | | Release date: | 2016-04-13 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (3.35 Å) | | Cite: | Structure of a quinolone-stabilized cleavage complex of topoisomerase IV from Klebsiella pneumoniae and comparison with a related Streptococcus pneumoniae complex.
Acta Crystallogr D Struct Biol, 72, 2016
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4XR8
 | | Crystal structure of the HPV16 E6/E6AP/p53 ternary complex at 2.25 A resolution | | Descriptor: | 1,2-ETHANEDIOL, Cellular tumor antigen p53, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Martinez-Zapien, D, Ruiz, F.X, Mitschler, A, Podjarny, A, Trave, G, Zanier, K. | | Deposit date: | 2015-01-20 | | Release date: | 2016-02-03 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Structure of the E6/E6AP/p53 complex required for HPV-mediated degradation of p53.
Nature, 529, 2016
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6FTY
 | | COMPLEMENT FACTOR D COMPLEXED WITH COMPOUND 5 | | Descriptor: | 4-[[(5~{S},7~{R})-3-azanyl-1-adamantyl]carbonylamino]-1~{H}-indole-2-carboxamide, Complement factor D, GLYCEROL | | Authors: | Ostermann, N. | | Deposit date: | 2018-02-26 | | Release date: | 2018-06-06 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.67 Å) | | Cite: | Discovery and Design of First Benzylamine-Based Ligands Binding to an Unlocked Conformation of the Complement Factor D.
ACS Med Chem Lett, 9, 2018
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4PLM
 | | Crystal Structure of Chicken Netrin-1 (LN-LE3) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Xu, K, Nikolov, D.B. | | Deposit date: | 2014-05-18 | | Release date: | 2014-06-18 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.801 Å) | | Cite: | Neural migration. Structures of netrin-1 bound to two receptors provide insight into its axon guidance mechanism.
Science, 344, 2014
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5LFW
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5UF4
 | | Crystal Structure of Variable Lymphocyte Receptor (VLR) O13 with LNnT bound | | Descriptor: | O13, beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-beta-D-galactopyranose-(1-4)-alpha-D-glucopyranose | | Authors: | Gunn, R.J, Collins, B.C, McKitrick, T.R, Cummings, R.D, Cooper, M.D, Herrin, B.R, Wilson, I.A. | | Deposit date: | 2017-01-03 | | Release date: | 2017-10-18 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.04 Å) | | Cite: | Structural Insights into VLR Fine Specificity for Blood Group Carbohydrates.
Structure, 25, 2017
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7KOX
 | | Alpha-7 nicotinic acetylcholine receptor bound to epibatidine and PNU-120596 in the activated state | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | Authors: | Noviello, C.M, Hibbs, R.E, Gharpure, A, Mukhtasimova, N, Baxter, L, Cabuco, R, Borek, D, Sine, S. | | Deposit date: | 2020-11-10 | | Release date: | 2021-03-17 | | Last modified: | 2021-05-12 | | Method: | ELECTRON MICROSCOPY (2.7 Å) | | Cite: | Structure and gating mechanism of the alpha 7 nicotinic acetylcholine receptor.
Cell, 184, 2021
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7KOQ
 | | Alpha-7 nicotinic acetylcholine receptor bound to epibatidine in a desensitized state | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | Authors: | Noviello, C.M, Hibbs, R.E, Gharpure, A, Mukhtasimova, N, Cabuco, R, Baxter, L, Borek, D, Sine, S. | | Deposit date: | 2020-11-09 | | Release date: | 2021-03-17 | | Last modified: | 2021-05-12 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | Structure and gating mechanism of the alpha 7 nicotinic acetylcholine receptor.
Cell, 184, 2021
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6STR
 | | Three dimensional structure of the giant reed (Arundodonax) lectin (ADL) complex with N,N'-Diacetylchitobiose; 60 seconds soaking | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Arundo donax Lectin (ADL), GLYCEROL | | Authors: | Perduca, M, Monaco, H.L, Bovi, M, Destefanis, L, Nadali, D, Fin, L, Carrizo, M.E. | | Deposit date: | 2019-09-11 | | Release date: | 2021-07-14 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Three-dimensional structure and properties of the giant reed (Arundo donax) lectin (ADL).
Glycobiology, 2021
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6STQ
 | | Three dimensional structure of the giant reed (Arundodonax) lectin (ADL) complex with N,N'-Diacetylchitobiose; 30 seconds soaking | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Arundo donax Lectin (ADL), GLYCEROL | | Authors: | Perduca, M, Monaco, H.L, Bovi, M, Destefanis, L, Nadali, D, Fin, L, Carrizo, M.E. | | Deposit date: | 2019-09-11 | | Release date: | 2021-07-14 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Three-dimensional structure and properties of the giant reed (Arundo donax) lectin (ADL).
Glycobiology, 2021
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2WMK
 | | Crystal structure of the catalytic module of a family 98 glycoside hydrolase from Streptococcus pneumoniae SP3-BS71 (Sp3GH98) in complex with the A-LewisY pentasaccharide blood group antigen. | | Descriptor: | FUCOLECTIN-RELATED PROTEIN, alpha-L-fucopyranose-(1-2)-[2-acetamido-2-deoxy-alpha-D-galactopyranose-(1-3)]beta-D-galactopyranose-(1-4)-[alpha-L-fucopyranose-(1-3)]2-acetamido-2-deoxy-beta-D-glucopyranose | | Authors: | Higgins, M.A, Whitworth, G.E, El Warry, N, Randriantsoa, M, Samain, E, Burke, R.D, Vocadlo, D.J, Boraston, A.B. | | Deposit date: | 2009-06-30 | | Release date: | 2009-07-14 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Differential Recognition and Hydrolysis of Host Carbohydrate-Antigens by Streptococcus Pneumoniae Family 98 Glycoside Hydrolases.
J.Biol.Chem., 284, 2009
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6STN
 | | Three dimensional structure of the giant reed (Arundodonax) lectin (ADL) complex with N-Acetyl glucosamine | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Arundo donax Lectin (ADL), GLYCEROL | | Authors: | Perduca, M, Monaco, H.L, Bovi, M, Destefanis, L, Nadali, D, Fin, L, Carrizo, M.E. | | Deposit date: | 2019-09-11 | | Release date: | 2021-07-14 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Three-dimensional structure and properties of the giant reed (Arundo donax) lectin (ADL).
Glycobiology, 2021
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4PLN
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2WR1
 | | structure of influenza H2 hemagglutinin with human receptor | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, HEMAGGLUTININ, ... | | Authors: | Liu, J, Stevens, D.J, Haire, L.F, Walker, P.A, Coombs, P.J, Russell, R.J, Gamblin, S.J, Skehel, J.J. | | Deposit date: | 2009-08-29 | | Release date: | 2009-09-29 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | From the Cover: Structures of Receptor Complexes Formed by Hemagglutinins from the Asian Influenza Pandemic of 1957.
Proc.Natl.Acad.Sci.USA, 106, 2009
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6T2B
 | | Glycoside hydrolase family 109 from Akkermansia muciniphila in complex with GalNAc and NAD+. | | Descriptor: | 2-acetamido-2-deoxy-alpha-D-galactopyranose, Glycosyl hydrolase family 109 protein 2, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | | Authors: | Chaberski, E.K, Fredslund, F, Teze, D, Shuoker, B, Kunstmann, S, Karlsson, E.N, Hachem, M.A, Welner, D.H. | | Deposit date: | 2019-10-08 | | Release date: | 2020-02-26 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.13 Å) | | Cite: | The Catalytic Acid-Base in GH109 Resides in a Conserved GGHGG Loop and Allows for Comparable alpha-Retaining and beta-Inverting Activity in an N-Acetylgalactosaminidase from Akkermansia muciniphila
Acs Catalysis, 2020
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4PUE
 | | Extracellulr Xylanase from Geobacillus stearothermophilus: E159Q mutant, with xylotetraose in active site | | Descriptor: | CHLORIDE ION, Endo-1,4-beta-xylanase, ZINC ION, ... | | Authors: | Dann, R.D, Solomon, H.V, Lansky, S, Ben-David, A, Lavid, N, Salama, R, Shoham, Y, Shoham, G. | | Deposit date: | 2014-03-13 | | Release date: | 2015-03-18 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Extracellulr Xylanase from Geobacillus stearothermophilus: E159Q mutant, with xylotetraose in active site.
To be Published
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7KZ5
 | | Crystal structure of KabA from Bacillus cereus UW85 in complex with the plp external aldimine adduct with kanosamine-6-phosphate | | Descriptor: | 1,2-ETHANEDIOL, 3-deoxy-3-[(E)-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)amino]-6-O-phosphono-alpha-D-gluco pyranose, Aminotransferase class I/II-fold pyridoxal phosphate-dependent enzyme, ... | | Authors: | Prasertanan, T, Palmer, D.R.J, Sanders, D.A.R. | | Deposit date: | 2020-12-10 | | Release date: | 2021-05-26 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Snapshots along the catalytic path of KabA, a PLP-dependent aminotransferase required for kanosamine biosynthesis in Bacillus cereus UW85.
J.Struct.Biol., 213, 2021
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5IUQ
 | | Galectin-3c in complex with Bisamido-thiogalactoside derivative 4 | | Descriptor: | 3-deoxy-3-[(2,3,5,6-tetrafluoro-4-methoxybenzene-1-carbonyl)amino]-beta-D-galactopyranosyl 3-deoxy-3-[(2,3,5,6-tetrafluoro-4-methoxybenzene-1-carbonyl)amino]-1-thio-beta-D-galactopyranoside, Galectin-3 | | Authors: | Noresson, A.-L, Aurelius, O, Oberg, C.T, Engstrom, O, Sundin, A.P, Hakansson, M, Logan, D.T, Leffler, H, Nilsson, U.J. | | Deposit date: | 2016-03-18 | | Release date: | 2017-03-29 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.121 Å) | | Cite: | Controlling protein:ligand complex conformation through tuning of arginine-arene interactions: Synthetic and structural studies with 3-benzamido-2-sulfo-galactosides as galectin-3 ligands
To Be Published
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5IZQ
 | | Crystal structure of human folate receptor alpha in complex with novel antifolate AGF183 | | Descriptor: | Folate receptor alpha, N-(4-{[2-(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-6-yl)ethyl]amino}benzene-1-carbonyl)-L-glutamic acid | | Authors: | Ke, J, Gu, X, Brunzelle, J.S, Xu, H.E, Melcher, K. | | Deposit date: | 2016-03-25 | | Release date: | 2016-08-10 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (3.6 Å) | | Cite: | Tumor Targeting with Novel 6-Substituted Pyrrolo [2,3-d] Pyrimidine Antifolates with Heteroatom Bridge Substitutions via Cellular Uptake by Folate Receptor alpha and the Proton-Coupled Folate Transporter and Inhibition of de Novo Purine Nucleotide Biosynthesis.
J.Med.Chem., 59, 2016
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