4KDR
 
 | | Crystal Structure of UBIG/SAH complex | | Descriptor: | 3-demethylubiquinone-9 3-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE | | Authors: | Zhu, Y, Teng, M, Li, X. | | Deposit date: | 2013-04-25 | | Release date: | 2014-04-30 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.003 Å) | | Cite: | Crystal Structure of the UBIG/SAH complex
To be Published
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4KDV
 | | Crystal structure of a bacterial immunoglobulin-like domain from the M. primoryensis ice-binding adhesin | | Descriptor: | Antifreeze protein, CALCIUM ION | | Authors: | Guo, S, Garnham, C.P, Karunan, S.P, Campbell, R.L, Allingham, J.S, Davies, P.L. | | Deposit date: | 2013-04-25 | | Release date: | 2013-10-02 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.42 Å) | | Cite: | Role of Ca(2+) in folding the tandem beta-sandwich extender domains of a bacterial ice-binding adhesin.
Febs J., 280, 2013
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9IWQ
 | | Salmonella enterica serovar Typhimurium FliC(G426A)delta(204-292) forming the L-type straight filament | | Descriptor: | Flagellin | | Authors: | Waraich, K, Makino, F, Miyata, T, Kinoshita, M, Minamino, T, Namba, K. | | Deposit date: | 2024-07-25 | | Release date: | 2024-08-07 | | Method: | ELECTRON MICROSCOPY (2.08 Å) | | Cite: | Salmonella enterica serovar Typhimurium FliC(G426A)delta(204-292) forming the L-type straight filament
To Be Published
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9FXP
 | | Crystal structure of BRD4 BD1 with DI00626383. | | Descriptor: | 4-methoxy-1,2-benzoxazol-3-amine, Bromodomain-containing protein 4 | | Authors: | Bader, G, Reinert, D. | | Deposit date: | 2024-07-02 | | Release date: | 2024-08-07 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | Probing Protein-Ligand Methyl-pi Interaction Geometries through Chemical Shift Measurements of Selectively Labeled Methyl Groups.
J.Med.Chem., 2024
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9CTX
 | | X-ray crystal structure of multi-drug resistant HIV-1 protease (P51) in complex with Darunavir | | Descriptor: | (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, GLYCEROL, Protease | | Authors: | Hayashi, H, Yedidi, R, Bulut, H, Das, D, Mitsuya, H. | | Deposit date: | 2024-07-25 | | Release date: | 2024-08-07 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Secondary amino-acid substitutions contribute to the emergence of HIV protease inhibitor resistance as directly as primary amino-acid substitutions.
To Be Published
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9F1T
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9F3Z
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9BON
 | | Crystal structure of glucosyltransferase (GTD) domain of TpeL | | Descriptor: | TpeL | | Authors: | Gill, S, Sugiman-Marangos, S.N, Beilhartz, G.L, Mei, E, Taipale, M, Melnyk, R.A. | | Deposit date: | 2024-05-05 | | Release date: | 2024-08-07 | | Method: | X-RAY DIFFRACTION (2.222 Å) | | Cite: | A diphtheria toxin-like intracellular delivery platform that evades pre-existing antidrug antibodies.
Embo Mol Med, 2024
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4KFR
 | | Structure of the genome packaging NTPase B204 from Sulfolobus turreted icosahedral virus 2 in complex with sulfate | | Descriptor: | Genome packaging NTPase B204, MAGNESIUM ION, SULFATE ION | | Authors: | Happonen, L.J, Oksanen, E, Goldman, A, Kajander, T, Butcher, S. | | Deposit date: | 2013-04-27 | | Release date: | 2013-05-22 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.956 Å) | | Cite: | The Structure of the NTPase That Powers DNA Packaging into Sulfolobus Turreted Icosahedral Virus 2.
J.Virol., 87, 2013
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9C0C
 | | E.coli GroEL apoenzyme | | Descriptor: | 60 kDa chaperonin | | Authors: | Watson, E.R, Lander, G.C. | | Deposit date: | 2024-05-25 | | Release date: | 2024-08-07 | | Last modified: | 2024-08-14 | | Method: | ELECTRON MICROSCOPY (3.41 Å) | | Cite: | Bis-sulfonamido-2-phenylbenzoxazoles Validate the GroES/EL Chaperone System as a Viable Antibiotic Target.
J.Am.Chem.Soc., 146, 2024
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9C0D
 | | E.Faecium GroEL | | Descriptor: | Chaperonin GroEL | | Authors: | Watson, E.R, Lander, G.C. | | Deposit date: | 2024-05-25 | | Release date: | 2024-08-07 | | Last modified: | 2024-08-14 | | Method: | ELECTRON MICROSCOPY (3.97 Å) | | Cite: | Bis-sulfonamido-2-phenylbenzoxazoles Validate the GroES/EL Chaperone System as a Viable Antibiotic Target.
J.Am.Chem.Soc., 146, 2024
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9EQ5
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4KGM
 | | Bacterial tRNA(HIS) Guanylyltransferase (Thg1)-Like Protein in complex with ATP | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, GLYCEROL, MAGNESIUM ION, ... | | Authors: | Hyde, S.J, Rao, B.S, Eckenroth, B.E, Jackman, J.E, Doublie, S. | | Deposit date: | 2013-04-29 | | Release date: | 2013-08-14 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.361 Å) | | Cite: | Structural Studies of a Bacterial tRNA(HIS) Guanylyltransferase (Thg1)-Like Protein, with Nucleotide in the Activation and Nucleotidyl Transfer Sites.
Plos One, 8, 2013
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4KEB
 | | Human dihydrofolate reductase complexed with NADPH and 5-{3-[3-methoxy-5-(isoquin-5-yl)phenyl]but-1-yn-1-yl}6-ethylpyrimidine-2,4-diamine | | Descriptor: | 6-ethyl-5-{(3S)-3-[3-(isoquinolin-5-yl)-5-methoxyphenyl]but-1-yn-1-yl}pyrimidine-2,4-diamine, Dihydrofolate reductase, FOLIC ACID, ... | | Authors: | Lamb, K.M, Anderson, A.C. | | Deposit date: | 2013-04-25 | | Release date: | 2013-10-09 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Elucidating features that drive the design of selective antifolates using crystal structures of human dihydrofolate reductase.
Biochemistry, 52, 2013
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4ZR7
 | | The structure of a domain of a functionally unknown protein from Bacillus subtilis subsp. subtilis str. 168 | | Descriptor: | ACETATE ION, CHLORIDE ION, Sensor histidine kinase ResE | | Authors: | Tan, K, Li, H, Jedrzejczak, R, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2015-05-11 | | Release date: | 2015-05-27 | | Last modified: | 2019-12-25 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | The structure of a domain of a functionally unknown protein from Bacillus subtilis subsp. subtilis str. 168
To Be Published
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4ZRL
 | | Structure of the non canonical Poly(A) polymerase complex GLD-2 - GLD-3 | | Descriptor: | CHLORIDE ION, Defective in germ line development protein 3, Poly(A) RNA polymerase gld-2 | | Authors: | Nakel, K, Bonneau, F, Eckmann, C.R, Conti, E. | | Deposit date: | 2015-05-12 | | Release date: | 2015-07-08 | | Last modified: | 2017-09-06 | | Method: | X-RAY DIFFRACTION (2.28 Å) | | Cite: | Structural basis for the activation of the C. elegans noncanonical cytoplasmic poly(A)-polymerase GLD-2 by GLD-3.
Proc.Natl.Acad.Sci.USA, 112, 2015
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6WXC
 | | Crystal Structure of NSP15 Endoribonuclease from SARS CoV-2 in the Complex with potential repurposing drug Tipiracil | | Descriptor: | 1,2-ETHANEDIOL, 5-CHLORO-6-(1-(2-IMINOPYRROLIDINYL) METHYL) URACIL, FORMIC ACID, ... | | Authors: | Kim, Y, Maltseva, N, Jedrzejczak, R, Welk, L, Endres, M, Chang, C, Michalska, K, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2020-05-10 | | Release date: | 2020-05-20 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Tipiracil binds to uridine site and inhibits Nsp15 endoribonuclease NendoU from SARS-CoV-2.
Commun Biol, 4, 2021
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4KM3
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4KMI
 | | Crystal structure of 4-O-beta-D-mannosyl-D-glucose phosphorylase MGP complexed with PO4 | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 4-O-beta-D-mannosyl-D-glucose phosphorylase, PHOSPHATE ION | | Authors: | Nakae, S, Ito, S, Higa, M, Senoura, T, Wasaki, J, Hijikata, A, Shionyu, M, Ito, S, Shirai, T. | | Deposit date: | 2013-05-08 | | Release date: | 2013-09-04 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structure of Novel Enzyme in Mannan Biodegradation Process 4-O-beta-d-Mannosyl-d-Glucose Phosphorylase MGP
J.Mol.Biol., 425, 2013
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4KKH
 | | The crystal structure of inhibitor-bound JNK3 | | Descriptor: | Mitogen-activated protein kinase 10, cyclopropyl[(3R)-3-({4-[6-hydroxy-2-(naphthalen-2-yl)-1H-benzimidazol-1-yl]pyrimidin-2-yl}amino)piperidin-1-yl]methanone | | Authors: | Han, B.G, Shim, M.B, Ahn, H.C. | | Deposit date: | 2013-05-06 | | Release date: | 2014-05-21 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The crystal structure of AMP, apo, and inhibitor-bound JNK3
To be Published
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4ZKJ
 | | Crystal structure of CRISPR-associated protein | | Descriptor: | CRISPR-associated protein Cas1, GLYCEROL | | Authors: | Ka, D, Bae, E. | | Deposit date: | 2015-04-30 | | Release date: | 2016-01-13 | | Last modified: | 2016-01-20 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Crystal Structure of Streptococcus pyogenes Cas1 and Its Interaction with Csn2 in the Type II CRISPR-Cas System
Structure, 24, 2016
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6DB6
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4KNR
 | | Hin GlmU bound to WG188 | | Descriptor: | Bifunctional protein GlmU, MAGNESIUM ION, N-{4-[(2-benzyl-7-hydroxy-6-methoxyquinazolin-4-yl)amino]phenyl}benzamide, ... | | Authors: | Doig, P, Kazmirski, S.L, Boriack-Sjodin, P.A. | | Deposit date: | 2013-05-10 | | Release date: | 2014-10-15 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Rational design of inhibitors of the bacterial cell wall synthetic enzyme GlmU using virtual screening and lead-hopping.
Bioorg.Med.Chem., 22, 2014
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4KKQ
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4ZLO
 | | Serine/threonine-protein kinase PAK1 complexed with a dibenzodiazepine: identification of an allosteric site on PAK1 | | Descriptor: | 2,8-difluoro-11-(4-methylpiperazin-1-yl)-5H-dibenzo[b,e][1,4]diazepine, GLYCEROL, Serine/threonine-protein kinase PAK 1 | | Authors: | Bellamacina, C.R, Bussiere, D.E. | | Deposit date: | 2015-05-01 | | Release date: | 2015-08-05 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Optimization of a Dibenzodiazepine Hit to a Potent and Selective Allosteric PAK1 Inhibitor.
Acs Med.Chem.Lett., 6, 2015
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