8BGC
 
 | | Crystal structure of human Casein Kinase II subunit alpha (CK2a1) in complex with compound 2 (AA-CS-9-003) | | Descriptor: | 5-[(phenylmethyl)amino]pyrimido[4,5-c]quinoline-8-carboxylic acid, Casein kinase II subunit alpha, SULFATE ION | | Authors: | Kraemer, A, Axtman, A.D, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2022-10-27 | | Release date: | 2022-11-23 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Discovery of a Potent and Selective Naphthyridine-Based Chemical Probe for Casein Kinase 2.
Acs Med.Chem.Lett., 14, 2023
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3W3L
 | | Crystal structure of human TLR8 in complex with Resiquimod (R848) crystal form 1 | | Descriptor: | 1-[4-amino-2-(ethoxymethyl)-1H-imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol, 2-acetamido-2-deoxy-beta-D-glucopyranose, SULFATE ION, ... | | Authors: | Tanji, H, Ohto, U, Shimizu, T. | | Deposit date: | 2012-12-22 | | Release date: | 2013-04-03 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.33 Å) | | Cite: | Structural reorganization of the Toll-like receptor 8 dimer induced by agonistic ligands
Science, 339, 2013
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3WA9
 | | The nucleosome containing human H2A.Z.1 | | Descriptor: | DNA (146-MER), Histone H2A.Z, Histone H2B type 1-J, ... | | Authors: | Horikoshi, N, Sato, K, Shimada, K, Arimura, Y, Osakabe, A, Tachiwana, H, Iwasaki, W, Kagawa, W, Harata, M, Kimura, H, Kurumizaka, H. | | Deposit date: | 2013-04-30 | | Release date: | 2013-12-18 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (3.07 Å) | | Cite: | Structural polymorphism in the L1 loop regions of human H2A.Z.1 and H2A.Z.2
Acta Crystallogr.,Sect.D, 69, 2013
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3WAW
 | | Crystal Structure of Autotaxin in Complex with 2BoA | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | Authors: | Nishimasu, H, Ishitani, R, Nureki, O. | | Deposit date: | 2013-05-09 | | Release date: | 2013-07-31 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.954 Å) | | Cite: | Screening and X-ray Crystal Structure-based Optimization of Autotaxin (ENPP2) Inhibitors, Using a Newly Developed Fluorescence Probe
Acs Chem.Biol., 8, 2013
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4LCK
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4J4Z
 | | Crystal structure of the improved variant of the evolved serine hydrolase, OSH55.4_H1.2, bond with sulfate ion in the active site, Northeast Structural Genomics Consortium (NESG) Target OR301 | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, DI(HYDROXYETHYL)ETHER, Designed serine hydrolase variant OSH55.4_H1.2, ... | | Authors: | Kuzin, A.P, Lew, S, Rajagopalan, S, Maglaqui, M, Xiao, R, Lee, D, Everett, J.K, Acton, T.B, Baker, D, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2013-02-07 | | Release date: | 2013-03-06 | | Method: | X-RAY DIFFRACTION (1.26 Å) | | Cite: | Crystal structure of the improved variant of the evolved serine hydrolase, OSH55.4_H1.2, bond with sulfate ion in the active site, Northeast Structural Genomics Consortium (NESG) Target OR301
To be Published
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4IT7
 | | Crystal structure of Al-CPI | | Descriptor: | CPI | | Authors: | Mei, G.Q, Liu, S.L, Sun, M.Z, Liu, J. | | Deposit date: | 2013-01-17 | | Release date: | 2014-01-29 | | Last modified: | 2014-06-11 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural Basis for the Immunomodulatory Function of Cysteine Protease Inhibitor from Human Roundworm Ascaris lumbricoides.
Plos One, 9, 2014
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4LEC
 | | Human Methyltransferase-Like Protein 21A | | Descriptor: | Protein-lysine methyltransferase METTL21A, S-ADENOSYL-L-HOMOCYSTEINE, UNKNOWN ATOM OR ION | | Authors: | Dong, A, Zeng, H, Fenner, M, Wernimont, A, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Brown, P.J, Wu, H, Structural Genomics Consortium (SGC) | | Deposit date: | 2013-06-25 | | Release date: | 2013-07-17 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.28 Å) | | Cite: | The Crystal Structure of Human Methyltransferase-Like Protein 21A in Complex with SAH
To be Published
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4ISI
 | | Structure of FACTOR VIIA in complex with the inhibitor (6S)-N-(4-CARBAMIMIDOYLBENZYL)-1-CHLORO-3-(CYCLOBUTYLAMINO)-8,8-DIETHYL-4-OXO-4,6,7,8-TETRAHYDROPYRROLO[1,2-A]PYRAZINE-6-CARBOXAMIDE | | Descriptor: | (6S)-N-(4-carbamimidoylbenzyl)-1-chloro-3-(cyclobutylamino)-8,8-diethyl-4-oxo-4,6,7,8-tetrahydropyrrolo[1,2-a]pyrazine-6-carboxamide, CALCIUM ION, Factor VII heavy chain, ... | | Authors: | Wei, A. | | Deposit date: | 2013-01-16 | | Release date: | 2013-02-27 | | Last modified: | 2013-03-06 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | Design and synthesis of bicyclic pyrazinone and pyrimidinone amides as potent TF-FVIIa inhibitors.
Bioorg.Med.Chem.Lett., 23, 2013
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3W9F
 | | Crystal structure of the ankyrin repeat domain of chicken TRPV4 in complex with IP3 | | Descriptor: | D-MYO-INOSITOL-1,4,5-TRIPHOSPHATE, Vanilloid receptor-related osmotically activated channel protein | | Authors: | Itoh, Y, Hamada-nakahara, S, Suetsugu, S. | | Deposit date: | 2013-04-04 | | Release date: | 2014-04-09 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | TRPV4 channel activity is modulated by direct interaction of the ankyrin domain to PI(4,5)P2
Nat Commun, 5, 2014
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3WF4
 | | Crystal structure of human beta-galactosidase mutant I51T in complex with 6S-NBI-DGJ | | Descriptor: | (3Z,6S,7R,8S,8aS)-3-(butylimino)hexahydro[1,3]thiazolo[3,4-a]pyridine-6,7,8-triol, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Suzuki, H, Ohto, U, Shimizu, T. | | Deposit date: | 2013-07-16 | | Release date: | 2014-04-16 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural basis of pharmacological chaperoning for human beta-galactosidase
to be published
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4LLN
 | | Crystal structure of S. aureus MepR-DNA complex | | Descriptor: | MepR, Palindromized mepR operator sequence | | Authors: | Birukou, I, Brennan, R.G. | | Deposit date: | 2013-07-09 | | Release date: | 2014-05-14 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.842 Å) | | Cite: | Structural mechanism of transcription regulation of the Staphylococcus aureus multidrug efflux operon mepRA by the MarR family repressor MepR.
Nucleic Acids Res., 42, 2014
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4LMF
 | | C1s CUB1-EGF-CUB2 | | Descriptor: | CALCIUM ION, Complement C1s subcomponent heavy chain, SODIUM ION | | Authors: | Wallis, R, Venkatraman Girija, U, Moody, P.C.E, Marshall, J.E. | | Deposit date: | 2013-07-10 | | Release date: | 2013-08-07 | | Last modified: | 2018-01-24 | | Method: | X-RAY DIFFRACTION (2.921 Å) | | Cite: | Structural basis of the C1q/C1s interaction and its central role in assembly of the C1 complex of complement activation.
Proc.Natl.Acad.Sci.USA, 110, 2013
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4LEL
 | | Crystal Structure of Frameshift Suppressor tRNA SufA6 Bound to Codon CCG-G on the Ribosome | | Descriptor: | 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ... | | Authors: | Maehigashi, T, Dunkle, J.A, Dunham, C.M. | | Deposit date: | 2013-06-25 | | Release date: | 2014-08-06 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (3.90000033 Å) | | Cite: | Structural insights into +1 frameshifting promoted by expanded or modification-deficient anticodon stem loops.
Proc.Natl.Acad.Sci.USA, 111, 2014
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7P3T
 | | Transaminase of gamma-proteobacterium | | Descriptor: | Branched-chain amino acid aminotransferase, GLYCEROL, PYRIDOXAL-5'-PHOSPHATE | | Authors: | Ermler, U. | | Deposit date: | 2021-07-08 | | Release date: | 2021-12-15 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Rational engineering of Luminiphilus syltensis ( R )-selective amine transaminase for the acceptance of bulky substrates.
Chem.Commun.(Camb.), 57, 2021
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8BAD
 | | Tpp80Aa1 | | Descriptor: | 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Binary toxin A-like protein, CALCIUM ION, ... | | Authors: | Best, H.L, Williamson, L.J, Rizkallah, P.J, Berry, C, Lloyd-Evans, E. | | Deposit date: | 2022-10-11 | | Release date: | 2022-12-14 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.81 Å) | | Cite: | The Crystal Structure of Bacillus thuringiensis Tpp80Aa1 and Its Interaction with Galactose-Containing Glycolipids.
Toxins, 14, 2022
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4J1Z
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4LCN
 | | Crytsal structure of NE0047 in complex with 2'-DEOXY-GUANOSINE | | Descriptor: | 1,2-ETHANEDIOL, 2'-DEOXY-GUANOSINE, Cytidine and deoxycytidylate deaminase zinc-binding region, ... | | Authors: | Anand, R, Bitra, A, Biswas, A. | | Deposit date: | 2013-06-22 | | Release date: | 2014-01-22 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural basis of the substrate specificity of cytidine deaminase superfamily Guanine deaminase
Biochemistry, 52, 2013
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4J2N
 | | Crystal Structure of mycobacteriophage Pukovnik Xis | | Descriptor: | Gp37, SULFATE ION | | Authors: | Homa, N.J, Amrich, C.G, Heroux, A, VanDemark, A.P. | | Deposit date: | 2013-02-04 | | Release date: | 2013-10-23 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.348 Å) | | Cite: | The Structure of Xis Reveals the Basis for Filament Formation and Insight into DNA Bending within a Mycobacteriophage Intasome.
J.Mol.Biol., 426, 2014
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4J2G
 | | Atg13 HORMA domain | | Descriptor: | KLTH0A00704p, SULFATE ION | | Authors: | Jao, C, Stanley, R.E, Ragusa, M.J, Hurley, J.H. | | Deposit date: | 2013-02-04 | | Release date: | 2013-03-20 | | Last modified: | 2013-04-17 | | Method: | X-RAY DIFFRACTION (2.29 Å) | | Cite: | A HORMA domain in Atg13 mediates PI 3-kinase recruitment in autophagy.
Proc.Natl.Acad.Sci.USA, 110, 2013
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4J3D
 | | Pseudomonas aeruginosa LpxC in complex with a hydroxamate inhibitor | | Descriptor: | N~1~-hydroxy-N~5~-(3-hydroxypropyl)-N~2~-[4-(phenylethynyl)benzoyl]-L-glutamamide, UDP-3-O-[3-hydroxymyristoyl] N-acetylglucosamine deacetylase, ZINC ION | | Authors: | Lahiri, S. | | Deposit date: | 2013-02-05 | | Release date: | 2013-04-03 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Exploring the UDP pocket of LpxC through amino acid analogs.
Bioorg.Med.Chem.Lett., 23, 2013
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3WK1
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3WHC
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3WJZ
 | | Orotidine 5'-monophosphate decarboxylase D75N mutant from M. thermoautotrophicus complexed with 6-amino-UMP | | Descriptor: | 6-AMINOURIDINE 5'-MONOPHOSPHATE, CHLORIDE ION, GLYCEROL, ... | | Authors: | Fujihashi, M, Pai, E.F, Miki, K. | | Deposit date: | 2013-10-17 | | Release date: | 2013-12-04 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.39 Å) | | Cite: | Substrate distortion contributes to the catalysis of orotidine 5'-monophosphate decarboxylase.
J.Am.Chem.Soc., 135, 2013
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7P0D
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