5XYZ
 
 | | The structure of human BTK kinase domain in complex with a covalent inhibitor | | Descriptor: | N-[3-(5-{[(2-chloro-6-fluorophenyl)methyl]amino}-1H-1,2,4-triazol-3-yl)phenyl]propanamide, Tyrosine-protein kinase BTK | | Authors: | Wang, Y.L, Sun, Y.Z, Cao, R, Liu, D, Xie, Y.T, Li, L, Qi, X.B, Huang, N. | | Deposit date: | 2017-07-11 | | Release date: | 2018-05-23 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.64 Å) | | Cite: | In Silico Identification of a Novel Hinge-Binding Scaffold for Kinase Inhibitor Discovery.
J. Med. Chem., 60, 2017
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5GLL
 | | Crystal structure of CoXyl43, GH43 beta-xylosidase/alpha-arabinofuranosidase from a compostmicrobial metagenome, calcium-bound form | | Descriptor: | ACETATE ION, CALCIUM ION, GLYCEROL, ... | | Authors: | Matsuzawa, T, Kishine, N, Fujimoto, Z, Yaoi, K. | | Deposit date: | 2016-07-12 | | Release date: | 2017-03-15 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal structure of metagenomic beta-xylosidase/ alpha-l-arabinofuranosidase activated by calcium.
J. Biochem., 162, 2017
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5GMB
 | | Methylation at position 32 of tRNA catalyzed by TrmJ alters oxidative stress response in Pseudomonas aeruiginosa | | Descriptor: | tRNA (cytidine/uridine-2'-O-)-methyltransferase TrmJ | | Authors: | Jaroensuk, J, Atichartpongkul, S, Chionh, Y.H, Wong, Y.H, Liew, C.W, McBee, M.E, Thongdee, N, Prestwich, E.G, DeMott, M.S, Mongkolsuk, S, Dedon, P.C, Lescar, J, Fuangthong, M. | | Deposit date: | 2016-07-13 | | Release date: | 2016-10-26 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.62 Å) | | Cite: | Methylation at position 32 of tRNA catalyzed by TrmJ alters oxidative stress response in Pseudomonas aeruginosa.
Nucleic Acids Res., 44, 2016
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5Y5N
 | | Crystal structure of human Sirtuin 2 in complex with a selective inhibitor | | Descriptor: | 2-[[3-(2-phenylethoxy)phenyl]amino]benzamide, NAD-dependent protein deacetylase sirtuin-2, ZINC ION | | Authors: | Mellini, P, Itoh, Y, Tsumoto, H, Li, Y, Suzuki, M, Tokuda, N, Kakizawa, T, Miura, Y, Takeuchi, J, Lahtela-Kakkonen, M, Suzuki, T. | | Deposit date: | 2017-08-09 | | Release date: | 2017-09-06 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Potent mechanism-based sirtuin-2-selective inhibition by anin situ-generated occupant of the substrate-binding site, "selectivity pocket" and NAD+-binding site.
Chem Sci, 8, 2017
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8A4V
 | | Crystal structure of human cathepsin L with covalently bound E-64 | | Descriptor: | Cathepsin L, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ... | | Authors: | Falke, S, Lieske, J, Guenther, S, Reinke, P.Y.A, Ewert, W, Loboda, J, Karnicar, K, Usenik, A, Lindic, N, Sekirnik, A, Chapman, H.N, Hinrichs, W, Turk, D, Meents, A. | | Deposit date: | 2022-06-13 | | Release date: | 2023-07-05 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Structural Elucidation and Antiviral Activity of Covalent Cathepsin L Inhibitors.
J.Med.Chem., 67, 2024
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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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5Y6K
 | | Human serum trnasferrin bound to a fluorescent probe | | Descriptor: | (2S)-6-[2-(7-azido-4-methyl-2-oxidanylidene-chromen-3-yl)ethanoylamino]-2-[bis(2-hydroxy-2-oxoethyl)amino]hexanoic acid, FE (III) ION, MALONATE ION, ... | | Authors: | Jiang, N, Cheng, T, Wang, M, Chan, G.C.F, Jin, L, Li, H, Sun, H. | | Deposit date: | 2017-08-12 | | Release date: | 2018-01-24 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.86 Å) | | Cite: | Tracking iron-associated proteomes in pathogens by a fluorescence approach.
Metallomics, 10, 2018
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6SZ9
 | | Type IV Coupling Complex (T4CC) from L. pneumophila. | | Descriptor: | DotY, DotZ, IcmJ (DotN), ... | | Authors: | Mace, K, Meir, A, Lukoyanova, N, Waksman, G. | | Deposit date: | 2019-10-02 | | Release date: | 2020-05-13 | | Last modified: | 2024-07-10 | | Method: | ELECTRON MICROSCOPY (3.7 Å) | | Cite: | Mechanism of effector capture and delivery by the type IV secretion system from Legionella pneumophila.
Nat Commun, 11, 2020
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7KOO
 | | Alpha-7 nicotinic acetylcholine receptor bound to alpha-bungarotoxin in a resting 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, Alpha-bungarotoxin isoform V31, ... | | 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 Å) | | Cite: | Structure and gating mechanism of the alpha 7 nicotinic acetylcholine receptor.
Cell, 184, 2021
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5Y8A
 | | Periplasmic heme-binding protein BhuT in complex with two hemes (holo-2 form) | | Descriptor: | CALCIUM ION, PROTOPORPHYRIN IX CONTAINING FE, Putative hemin transport system, ... | | Authors: | Nakamura, N, Naoe, Y, Rahman, M.M, Shiro, Y, Sugimoto, H. | | Deposit date: | 2017-08-20 | | Release date: | 2017-10-11 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.001 Å) | | Cite: | Structural basis for binding and transfer of heme in bacterial heme-acquisition systems
Proteins, 85, 2017
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5XXX
 | | GMPCPP-microtubule complexed with nucleotide-free KIF5C | | Descriptor: | GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER, ... | | Authors: | Morikawa, M, Shigematsu, H, Nitta, R, Hirokawa, N. | | Deposit date: | 2017-07-05 | | Release date: | 2018-10-10 | | Last modified: | 2019-11-06 | | Method: | ELECTRON MICROSCOPY (6.43 Å) | | Cite: | Kinesin-binding-triggered conformation switching of microtubules contributes to polarized transport
J. Cell Biol., 217, 2018
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5GVY
 | | Crystal structure of SALT protein from Oryza sativa | | Descriptor: | Salt stress-induced protein, alpha-D-mannopyranose | | Authors: | Sharma, P, Sagar, A, Kaur, N, Sharma, I, Kirat, K, Ashish, F.N.U, Pati, P.K. | | Deposit date: | 2016-09-07 | | Release date: | 2017-09-13 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.662 Å) | | Cite: | Structural insights into rice SalTol QTL located SALT protein.
Sci Rep, 10, 2020
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1ZVQ
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5Y9Z
 | | Crystal structure of rat hematopoietic prostaglandin D synthase | | Descriptor: | 1,2-ETHANEDIOL, 1,4-DIETHYLENE DIOXIDE, GLUTATHIONE, ... | | Authors: | Kamo, M, Furubayashi, N, Inaka, K, Tanaka, H, Aritake, K, Urade, Y. | | Deposit date: | 2017-08-29 | | Release date: | 2018-09-19 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.09 Å) | | Cite: | Crystal structure of rat hematopoietic prostaglandin D synthase
To Be Published
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8A4W
 | | Crystal structure of human cathepsin L with covalently bound Cathepsin L inhibitor IV | | Descriptor: | 1,2-ETHANEDIOL, Cathepsin L, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Falke, S, Lieske, J, Guenther, S, Reinke, P.Y.A, Ewert, W, Loboda, J, Karnicar, K, Usenik, A, Lindic, N, Sekirnik, A, Chapman, H.N, Hinrichs, W, Turk, D, Meents, A. | | Deposit date: | 2022-06-13 | | Release date: | 2023-07-05 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Structural Elucidation and Antiviral Activity of Covalent Cathepsin L Inhibitors.
J.Med.Chem., 67, 2024
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5GX2
 | | Luciferin-regenerating enzyme collected with serial synchrotron rotational crystallography with accumulated dose of 3.4 MGy (3rd measurement) | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, GLYCEROL, Luciferin regenerating enzyme, ... | | Authors: | Hasegawa, K, Yamashita, K, Murai, T, Nuemket, N, Hirata, K, Ueno, G, Ago, H, Nakatsu, T, Kumasaka, T, Yamamoto, M. | | Deposit date: | 2016-09-15 | | Release date: | 2017-01-04 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Development of a dose-limiting data collection strategy for serial synchrotron rotation crystallography
J Synchrotron Radiat, 24, 2017
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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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6STG
 | | Human Rab8a phosphorylated at Ser111 in complex with GPPNP | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ... | | Authors: | Vieweg, S, Mulholland, K, Braeuning, B, Kachariya, N, Lai, Y, Toth, R, Sattler, M, Groll, M, Itzen, A, Muqit, M.M.K. | | Deposit date: | 2019-09-10 | | Release date: | 2020-04-22 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | PINK1-dependent phosphorylation of Serine111 within the SF3 motif of Rab GTPases impairs effector interactions and LRRK2-mediated phosphorylation at Threonine72.
Biochem.J., 477, 2020
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8A4X
 | | Crystal structure of human Cathepsin L with covalently bound Calpain inhibitor III | | Descriptor: | (phenylmethyl) N-[(2S)-3-methyl-1-oxidanylidene-1-[[(2S)-1-oxidanyl-3-phenyl-propan-2-yl]amino]butan-2-yl]carbamate, Cathepsin L, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Falke, S, Lieske, J, Guenther, S, Reinke, P.Y.A, Ewert, W, Loboda, J, Karnicar, K, Usenik, A, Lindic, N, Sekirnik, A, Chapman, H.N, Hinrichs, W, Turk, D, Meents, A. | | Deposit date: | 2022-06-13 | | Release date: | 2023-07-05 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural Elucidation and Antiviral Activity of Covalent Cathepsin L Inhibitors.
J.Med.Chem., 67, 2024
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8A90
 | | Crystal structure of FrsH | | Descriptor: | ACETATE ION, FE (III) ION, GLYCEROL, ... | | Authors: | Schneberger, N, Wirtz, D.A, Cruesemann, M, Hagelueken, G. | | Deposit date: | 2022-06-27 | | Release date: | 2023-07-12 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.574 Å) | | Cite: | Adenylation Domain-Guided Recruitment of Trans- Acting Nonheme Monooxygenases in Nonribosomal Peptide Biosynthesis.
Acs Chem.Biol., 18, 2023
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5GUA
 | | Structure of biotin carboxyl carrier protein from pyrococcus horikoshi OT3 (delta N79) A138Y mutant | | Descriptor: | 149aa long hypothetical methylmalonyl-CoA decarboxylase gamma chain | | Authors: | Yamada, K, Kunishima, N, Matsuura, Y, Nakai, K, Naitow, H, Fukasawa, Y, Tomii, K. | | Deposit date: | 2016-08-26 | | Release date: | 2017-08-30 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Designing better diffracting crystals of biotin carboxyl carrier protein from Pyrococcus horikoshii by a mutation based on the crystal-packing propensity of amino acids.
Acta Crystallogr D Struct Biol, 73, 2017
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8A4U
 | | Crystal structure of human cathepsin L with CAA0225 | | Descriptor: | (2S,3S)-N3-[2-(4-hydroxyphenyl)ethyl]-N2-[(2S)-1-oxidanylidene-3-phenyl-1-[(phenylmethyl)amino]propan-2-yl]oxirane-2,3-dicarboxamide, 1,2-ETHANEDIOL, Cathepsin L, ... | | Authors: | Falke, S, Lieske, J, Guenther, S, Reinke, P.Y.A, Ewert, W, Loboda, J, Karnicar, K, Usenik, A, Lindic, N, Sekirnik, A, Chapman, H.N, Hinrichs, W, Turk, D, Meents, A. | | Deposit date: | 2022-06-13 | | Release date: | 2023-07-05 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural Elucidation and Antiviral Activity of Covalent Cathepsin L Inhibitors.
J.Med.Chem., 67, 2024
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7KW3
 | | Non Ribosomal PCP domain | | Descriptor: | PCP domain, SULFATE ION | | Authors: | Izore, T, Ho, Y.T.C, Kaczmarski, J.A, Gavriilidou, A, Chow, K.H, Steer, D, Goode, R.J.A, Schittenhelm, R.B, Tailhades, J, Tosin, M, Challis, G.L, Krenske, E.H, Ziemert, N, Jackson, C.J, Cryle, M.J. | | Deposit date: | 2020-11-29 | | Release date: | 2021-03-24 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structures of a non-ribosomal peptide synthetase condensation domain suggest the basis of substrate selectivity.
Nat Commun, 12, 2021
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6SVF
 | | Crystal structure of the P235GK mutant of ArgBP from T. maritima | | Descriptor: | ARGININE, Amino acid ABC transporter, periplasmic amino acid-binding protein | | Authors: | Vitagliano, L, Berisio, R, Esposito, L, Balasco, N, Smaldone, G, Ruggiero, A. | | Deposit date: | 2019-09-18 | | Release date: | 2019-11-20 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | The non-swapped monomeric structure of the arginine-binding protein from Thermotoga maritima.
Acta Crystallogr.,Sect.F, 75, 2019
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6SWB
 | | The REC domain of AraT, a response regulator from Geobacillus stearothermophilus | | Descriptor: | DI(HYDROXYETHYL)ETHER, Two-component response regulator | | Authors: | Lansky, S, Lavid, N, Shoham, Y, Shoham, G. | | Deposit date: | 2019-09-20 | | Release date: | 2020-10-14 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.259 Å) | | Cite: | The REC domain of AraT, a response regulator from Geobacillus stearothermophilus
To Be Published
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