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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6ELP
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6ELX
 | | Oryza sativa DWARF14 | | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, GLYCEROL, ... | | Authors: | Andersson, I, Carlsson, G.H, Hasse, D. | | Deposit date: | 2017-09-29 | | Release date: | 2018-05-09 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | The elusive ligand complexes of the DWARF14 strigolactone receptor.
J. Exp. Bot., 69, 2018
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6EQU
 | | X-Ray crystal structure of the human carbonic anhydrase II adduct with a membrane-impermeant inhibitor | | Descriptor: | 4-[2-(2,4,6-triphenylpyridin-1-ium-1-yl)ethyl]benzenesulfonamide, Carbonic anhydrase 2, ZINC ION | | Authors: | Alterio, V, De Simone, G, Esposito, D. | | Deposit date: | 2017-10-15 | | Release date: | 2017-12-13 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Crystal structure of the human carbonic anhydrase II adduct with 1-(4-sulfamoylphenyl-ethyl)-2,4,6-triphenylpyridinium perchlorate, a membrane-impermeant, isoform selective inhibitor.
J Enzyme Inhib Med Chem, 33, 2018
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4PED
 | | Mitochondrial ADCK3 employs an atypical protein kinase-like fold to enable coenzyme Q biosynthes | | Descriptor: | Chaperone activity of bc1 complex-like, mitochondrial, SULFATE ION | | Authors: | Bingman, C.A, Smith, R, Joshi, S, Stefely, J.A, Reidenbach, A.G, Ulbrich, A, Oruganty, O, Floyd, B.J, Jochem, A, Saunders, J.M, Johnson, I.E, Wrobel, R.L, Barber, G.E, Lee, D, Li, S, Kannan, N, Coon, J.J, Pagliarini, D.J, Mitochondrial Protein Partnership (MPP) | | Deposit date: | 2014-04-22 | | Release date: | 2014-11-19 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.64 Å) | | Cite: | Mitochondrial ADCK3 Employs an Atypical Protein Kinase-like Fold to Enable Coenzyme Q Biosynthesis.
Mol.Cell, 57, 2015
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6E59
 | | Crystal structure of the human NK1 tachykinin receptor | | Descriptor: | 1-(4-{[(2R,3S)-2-{(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy}-3-(4-fluorophenyl)morpholin-4-yl]methyl}-1H-1,2,3-triazol-5-yl)-N,N-dimethylmethanamine, Substance-P receptor, GlgA glycogen synthase, ... | | Authors: | Yin, J, Clark, L, Chapman, K, Shao, Z, Borek, D, Xu, Q, Wang, J, Rosenbaum, D.M. | | Deposit date: | 2018-07-19 | | Release date: | 2018-12-12 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (3.4 Å) | | Cite: | Crystal structure of the human NK1tachykinin receptor.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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4PEL
 | | S1C mutant of Penicillin G acylase from Kluyvera citrophila | | Descriptor: | CALCIUM ION, Penicillin G acylase subunit alpha, Penicillin G acylase subunit beta | | Authors: | Ramasamy, S, Chand, D, Varshney, N.K, Brannigan, J.A, Wilkinson, A.J, Suresh, C.G. | | Deposit date: | 2014-04-24 | | Release date: | 2015-07-22 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Penicillin G acylase
To Be Published
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4PFZ
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4PTK
 | | Crystal structure of Staphylococcal IMPase-I complex with 3Mg2+ and Phosphate | | Descriptor: | GLYCEROL, Inositol monophosphatase family protein, MAGNESIUM ION, ... | | Authors: | Dutta, A, Bhattacharyya, S, Dutta, D, Das, A.K. | | Deposit date: | 2014-03-11 | | Release date: | 2014-10-22 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.503 Å) | | Cite: | Structural elucidation of the binding site and mode of inhibition of Li(+) and Mg(2+) in inositol monophosphatase.
Febs J., 281, 2014
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4PTX
 | | Halothermothrix orenii beta-glucosidase A, glucose complex | | Descriptor: | CACODYLATE ION, Glycoside hydrolase family 1, beta-D-glucopyranose | | Authors: | Hassan, N, Nguyen, T.H, Kori, L.D, Patel, B.K.C, Haltrich, D, Divne, C, Tan, T.C. | | Deposit date: | 2014-03-11 | | Release date: | 2014-09-24 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Biochemical and structural characterization of a thermostable beta-glucosidase from Halothermothrix orenii for galacto-oligosaccharide synthesis.
Appl.Microbiol.Biotechnol., 99, 2015
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6E9Z
 | | DHF119 filament | | Descriptor: | DHF119 filament | | Authors: | Lynch, E.M, Shen, H, Fallas, J.A, Kollman, J.M, Baker, D. | | Deposit date: | 2018-08-01 | | Release date: | 2018-11-21 | | Last modified: | 2024-03-13 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | De novo design of self-assembling helical protein filaments.
Science, 362, 2018
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6EBA
 | | Crystal Structure of A Bacterial Homolog to Human Lysosomal Transporter, Spinster, in Inward-facing And Unoccupied Conformation | | Descriptor: | Major facilitator family transporter | | Authors: | Zhou, F, Yao, D, Rao, B, Zhang, L, Cao, Y. | | Deposit date: | 2018-08-06 | | Release date: | 2019-08-21 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (3.812 Å) | | Cite: | Crystal structure of a bacterial homolog to human lysosomal transporter, spinster
Sci Bull (Beijing), 64, 2019
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6EBM
 | | The voltage-activated Kv1.2-2.1 paddle chimera channel in lipid nanodiscs, transmembrane domain of subunit alpha | | Descriptor: | Potassium voltage-gated channel subfamily A member 2,Potassium voltage-gated channel subfamily B member 2 chimera | | Authors: | Matthies, D, Bae, C, Fox, T, Bartesaghi, A, Subramaniam, S, Swartz, K.J. | | Deposit date: | 2018-08-06 | | Release date: | 2018-08-22 | | Last modified: | 2024-03-13 | | Method: | ELECTRON MICROSCOPY (4 Å) | | Cite: | Single-particle cryo-EM structure of a voltage-activated potassium channel in lipid nanodiscs.
Elife, 7, 2018
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6EER
 | | Structure of glycine-bound GoxA from Pseudoalteromonas luteoviolacea | | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, GoxA, ... | | Authors: | Yukl, E.T, Avalos, D. | | Deposit date: | 2018-08-15 | | Release date: | 2019-01-16 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.82 Å) | | Cite: | Structural and Spectroscopic Characterization of a Product Schiff Base Intermediate in the Reaction of the Quinoprotein Glycine Oxidase, GoxA.
Biochemistry, 58, 2019
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4W1W
 | | Crystal structure of 7,8-diaminopelargonic acid synthase (BioA) from Mycobacterium tuberculosis, complexed with 7-(diethylamino)-3-(thiophene-2-carbonyl)-2H-chromen-2-one | | Descriptor: | 1,2-ETHANEDIOL, 7-(diethylamino)-3-(thiophen-2-ylcarbonyl)-2H-chromen-2-one, Adenosylmethionine-8-amino-7-oxononanoate aminotransferase, ... | | Authors: | Finzel, B.C, Ran, D. | | Deposit date: | 2014-08-13 | | Release date: | 2015-02-04 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Target-Based Identification of Whole-Cell Active Inhibitors of Biotin Biosynthesis in Mycobacterium tuberculosis.
Chem.Biol., 22, 2015
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6EL5
 | | Estimation of relative drug-target residence times by random acceleration molecular dynamics simulation | | Descriptor: | 8-(2-CHLORO-3,4,5-TRIMETHOXY-BENZYL)-2-FLUORO-9-PENT-4-YLNYL-9H-PURIN-6-YLAMINE, Heat shock protein HSP 90-alpha | | Authors: | Musil, D, Lehmann, M, Eggenweiler, H.-M. | | Deposit date: | 2017-09-27 | | Release date: | 2018-05-30 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.67 Å) | | Cite: | Estimation of Drug-Target Residence Times by tau-Random Acceleration Molecular Dynamics Simulations.
J Chem Theory Comput, 14, 2018
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6ENY
 | | Structure of the human PLC editing module | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-2-microglobulin, Calreticulin, ... | | Authors: | Trowitzsch, S, Januliene, D, Blees, A, Moeller, A, Tampe, R. | | Deposit date: | 2017-10-07 | | Release date: | 2017-11-29 | | Last modified: | 2024-05-15 | | Method: | ELECTRON MICROSCOPY (5.8 Å) | | Cite: | Structure of the human MHC-I peptide-loading complex.
Nature, 551, 2017
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6EOE
 | | Crystal structure of AMPylated GRP78 with nucleotide | | Descriptor: | 78 kDa glucose-regulated protein, ADENOSINE-5'-DIPHOSPHATE, CITRATE ANION, ... | | Authors: | Yan, Y, Preissler, S, Ron, D, Read, R.J. | | Deposit date: | 2017-10-09 | | Release date: | 2017-11-01 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.71 Å) | | Cite: | AMPylation targets the rate-limiting step of BiP's ATPase cycle for its functional inactivation.
Elife, 6, 2017
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6EP3
 | | Lar controls the expression of the Listeria monocytogenes agr system and mediates virulence. | | Descriptor: | 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Lmo0651 protein, ... | | Authors: | Pinheiro, J, Lisboa, J, Carvalho, F, Carreaux, A, Santos, N, Cabral, J, Sousa, S, Cabanes, D. | | Deposit date: | 2017-10-10 | | Release date: | 2018-07-25 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | MouR controls the expression of the Listeria monocytogenes Agr system and mediates virulence.
Nucleic Acids Res., 46, 2018
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6EOB
 | | Crystal structure of AMPylated GRP78 in apo form (Crystal form 1) | | Descriptor: | 78 kDa glucose-regulated protein, PHOSPHATE ION | | Authors: | Yan, Y, Preissler, S, Ron, D, Read, R.J. | | Deposit date: | 2017-10-09 | | Release date: | 2017-11-01 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | AMPylation targets the rate-limiting step of BiP's ATPase cycle for its functional inactivation.
Elife, 6, 2017
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6ERI
 | | Structure of the chloroplast ribosome with chl-RRF and hibernation-promoting factor | | Descriptor: | 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10 alpha, ... | | Authors: | Perez Borema, A, Aibara, S, Paul, B, Tobiasson, V, Kimanius, D, Forsberg, B.O, Wallden, K, Lindahl, E, Amunts, A. | | Deposit date: | 2017-10-18 | | Release date: | 2018-04-18 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Structure of the chloroplast ribosome with chl-RRF and hibernation-promoting factor.
Nat Plants, 4, 2018
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6ER6
 | | Crystal structure of a computationally designed colicin endonuclease and immunity pair colEdes7/Imdes7 | | Descriptor: | Endonuclease colEdes7, immunity Imdes7 | | Authors: | Netzer, R, Listov, D, Dym, O, Albeck, S, Knop, O, Fleishman, S.J. | | Deposit date: | 2017-10-17 | | Release date: | 2019-01-30 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Ultrahigh specificity in a network of computationally designed protein-interaction pairs.
Nat Commun, 9, 2018
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4PR9
 | | Human Vinculin (residues 891-1066) in complex with PIP | | Descriptor: | GLYCEROL, Vinculin, [(2R)-2-octanoyloxy-3-[oxidanyl-[(1R,2R,3S,4R,5R,6S)-2,3,6-tris(oxidanyl)-4,5-diphosphonooxy-cyclohexyl]oxy-phosphoryl]oxy-propyl] octanoate | | Authors: | Chinthalapudi, K, Rangarajan, E.S, Patil, D, Izard, T. | | Deposit date: | 2014-03-05 | | Release date: | 2014-12-10 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Mechanism and function of lipid-directed oligomerization of vinculin
To be Published
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4PY0
 | | Crystal structure of P2Y12 receptor in complex with 2MeSATP | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 2-(methylsulfanyl)adenosine 5'-(tetrahydrogen triphosphate), P2Y purinoceptor 12, ... | | Authors: | Zhang, J, Zhang, K, Gao, Z.G, Paoletta, S, Zhang, D, Han, G.W, Li, T, Ma, L, Zhang, W, Muller, C.E, Yang, H, Jiang, H, Cherezov, V, Katritch, V, Jacobson, K.A, Stevens, R.C, Wu, B, Zhao, Q, GPCR Network (GPCR) | | Deposit date: | 2014-03-25 | | Release date: | 2014-04-30 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Agonist-bound structure of the human P2Y12 receptor
Nature, 509, 2014
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4PYJ
 | | human apo-COMT, single domain swap | | Descriptor: | CHLORIDE ION, Catechol O-methyltransferase, MAGNESIUM ION, ... | | Authors: | Ehler, A, Benz, J, Schlatter, D, Rudolph, M.G. | | Deposit date: | 2014-03-27 | | Release date: | 2014-06-11 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Mapping the conformational space accessible to catechol-O-methyltransferase.
Acta Crystallogr.,Sect.D, 70, 2014
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