8WFI
 
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6YOD
 | | Structure of Lysozyme from SiN IMISX setup collected by rotation serial crystallography on crystals prelocated by 2D X-ray phase-contrast imaging | | Descriptor: | 2-(2-ETHOXYETHOXY)ETHANOL, 2-(2-METHOXYETHOXY)ETHANOL, ACETIC ACID, ... | | Authors: | Huang, C.-Y, Martiel, I, Villanueva-Perez, P, Panepucci, E, Caffrey, M, Wang, M. | | Deposit date: | 2020-04-14 | | Release date: | 2020-11-04 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.601 Å) | | Cite: | Low-dose in situ prelocation of protein microcrystals by 2D X-ray phase-contrast imaging for serial crystallography.
Iucrj, 7, 2020
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6YCS
 | | Human Transcription Cofactor PC4 DNA-binding domain in complex with full phosphorothioate 5-10-5 2'-O-methyl DNA gapmer antisense oligonucleotide. | | Descriptor: | DNA (5'-D(P*(OKQ))-D(P*(OKT))-R(P*(RFJ))-D(*(OKQ)P*(OKT)P*(AS)P*(GS)P*(OKN)P*(OKN)P*(PST)P*(OKN)P*(PST)P*(GS)P*(GS)P*(AS)P*(OKT)P*(OKT))-3'), PC4 protein, SODIUM ION, ... | | Authors: | Hyjek-Skladanowska, M, Vickers, T.A, Napiorkowska, A, Anderson, B, Tanowitz, M, Crooke, S.T, Liang, X, Seth, P.P, Nowotny, M. | | Deposit date: | 2020-03-19 | | Release date: | 2020-04-29 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (3.05 Å) | | Cite: | Origins of the Increased Affinity of Phosphorothioate-Modified Therapeutic Nucleic Acids for Proteins.
J.Am.Chem.Soc., 142, 2020
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5YAX
 | | Crystal structure of a human neutralizing antibody bound to a HBV preS1 peptide | | Descriptor: | Large envelope protein, SODIUM ION, scFv1 antibody | | Authors: | Liu, X, Zheng, S, Ye, K, Sui, J. | | Deposit date: | 2017-09-02 | | Release date: | 2017-10-11 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | A potent human neutralizing antibody Fc-dependently reduces established HBV infections
Elife, 6, 2017
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3ZPI
 | | PikC D50N mutant in P21 space group | | Descriptor: | 1,2-ETHANEDIOL, CYTOCHROME P450 HYDROXYLASE PIKC, FORMIC ACID, ... | | Authors: | Podust, L.M. | | Deposit date: | 2013-02-27 | | Release date: | 2014-03-19 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.63 Å) | | Cite: | Recognition of Synthetic Substrates by P450 Pikc
To be Published
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3ZQ5
 | | Structure of the Y263F mutant of the cyanobacterial phytochrome Cph1 | | Descriptor: | ACETATE ION, GLYCEROL, PHOSPHATE ION, ... | | Authors: | Mailliet, J, Psakis, G, Sineshchekov, V, Essen, L.-O, Hughes, J. | | Deposit date: | 2011-06-07 | | Release date: | 2011-11-30 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Spectroscopy and a High-Resolution Crystal Structure of Tyr263 Mutants of Cyanobacterial Phytochrome Cph1.
J.Mol.Biol., 413, 2011
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3ZSO
 | | Small molecule inhibitors of the LEDGF site of HIV type 1 integrase identified by fragment screening and structure based design | | Descriptor: | 5-{[(2-{[bis(4-methoxyphenyl)methyl]carbamoyl}benzyl)(prop-2-en-1-yl)amino]methyl}-1,3-benzodioxole-4-carboxylic acid, ACETIC ACID, INTEGRASE, ... | | Authors: | Peat, T.S, Newman, J, Rhodes, D.I, Deadman, J.J, Vandergraaff, N, Le, G, Jones, E.D, Smith, J.A, Coates, J.A.V, Thienthong, N, Dolezal, O, Ryan, J.H, Savage, G.P, Francis, C.L. | | Deposit date: | 2011-06-30 | | Release date: | 2012-07-11 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Small Molecule Inhibitors of the Ledgf Site of Human Immunodeficiency Virus Integrase Identified by Fragment Screening and Structure Based Design.
Plos One, 7, 2012
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5W7W
 | | Crystal Structure of FHA domain of human APLF | | Descriptor: | Aprataxin and PNK-like factor, FORMIC ACID, SODIUM ION | | Authors: | Pedersen, L.C, Kim, K, London, R.E. | | Deposit date: | 2017-06-21 | | Release date: | 2018-05-02 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.348 Å) | | Cite: | Characterization of the APLF FHA-XRCC1 phosphopeptide interaction and its structural and functional implications.
Nucleic Acids Res., 45, 2017
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3ZPY
 | | Crystal structure of the marine PL7 alginate lyase AlyA1 from Zobellia galactanivorans | | Descriptor: | ALGINATE LYASE, FAMILY PL7, SODIUM ION | | Authors: | Thomas, F, Jeudy, A, Michel, G, Czjzek, M. | | Deposit date: | 2013-03-04 | | Release date: | 2013-06-26 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.43 Å) | | Cite: | Comparative Characterization of Two Marine Alginate Lyases from Zobellia Galactanivorans Reveals Distinct Modes of Action and Exquisite Adaptation to Their Natural Substrate.
J.Biol.Chem., 288, 2013
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6WIC
 | | Pre-catalytic quaternary complex of human Polymerase Mu on a complementary DNA double-strand break substrate | | Descriptor: | 2'-DEOXYURIDINE 5'-ALPHA,BETA-IMIDO-TRIPHOSPHATE, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Kaminski, A.M, Kunkel, T.A, Pedersen, L.C, Bebenek, K. | | Deposit date: | 2020-04-09 | | Release date: | 2020-10-07 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Structural snapshots of human DNA polymerase mu engaged on a DNA double-strand break.
Nat Commun, 11, 2020
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6WRT
 | | Crystal structure of Mj 3-nitro-tyrosine tRNA synthetase (5B) C70A/S158C variant bound to 3-nitro-tyrosine | | Descriptor: | META-NITRO-TYROSINE, SODIUM ION, Tyrosine--tRNA ligase | | Authors: | Beyer, J.N, Hosseinzadeh, P, Karplus, P.A, Mehl, R.A, Cooley, R.B. | | Deposit date: | 2020-04-30 | | Release date: | 2020-07-01 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Overcoming Near-Cognate Suppression in a Release Factor 1-Deficient Host with an Improved Nitro-Tyrosine tRNA Synthetase.
J.Mol.Biol., 432, 2020
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3ZLS
 | | Crystal structure of MEK1 in complex with fragment 6 | | Descriptor: | 1H-PYRROLO[2,3-B]PYRIDINE-3-CARBOXYLIC ACID, DUAL SPECIFICITY MITOGEN-ACTIVATED PROTEIN KINASE KINASE 1, SODIUM ION | | Authors: | Amaning, K, Lowinsky, M, Vallee, F, Steier, V, Marcireau, C, Ugolini, A, Delorme, C, McCort, G, Andouche, C, Vougier, S, Llopart, S, Halland, N, Rak, A. | | Deposit date: | 2013-02-04 | | Release date: | 2013-05-22 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | The Use of Virtual Screening and Differential Scanning Fluorimetry for the Rapid Identification of Fragments Active Against Mek1.
Bioorg.Med.Chem.Lett., 23, 2013
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6XBI
 | | Crystal structure of the SARS-CoV-2 (COVID-19) main protease in complex with inhibitor UAW248 | | Descriptor: | 3C-like proteinase, DIMETHYL SULFOXIDE, GLYCEROL, ... | | Authors: | Sacco, M, Ma, C, Wang, J, Chen, Y. | | Deposit date: | 2020-06-06 | | Release date: | 2020-06-17 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structure and inhibition of the SARS-CoV-2 main protease reveal strategy for developing dual inhibitors against M pro and cathepsin L.
Sci Adv, 6, 2020
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5WR9
 | | Crystal structure of hen egg-white lysozyme | | Descriptor: | CHLORIDE ION, Lysozyme C, SODIUM ION | | Authors: | Sugahara, M, Suzuki, M, Masuda, T, Inoue, S, Nango, E. | | Deposit date: | 2016-12-01 | | Release date: | 2017-12-06 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Hydroxyethyl cellulose matrix applied to serial crystallography
Sci Rep, 7, 2017
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5WRV
 | | Complex structure of human SRP72/SRP68 | | Descriptor: | ACETATE ION, GLYCEROL, SODIUM ION, ... | | Authors: | Gao, Y, Chen, Z. | | Deposit date: | 2016-12-04 | | Release date: | 2017-06-21 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Human apo-SRP72 and SRP68/72 complex structures reveal the molecular basis of protein translocation
J Mol Cell Biol, 9, 2017
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6XBH
 | | Crystal structure of the SARS-CoV-2 (COVID-19) main protease in complex with inhibitor UAW247 | | Descriptor: | 3C-like proteinase, GLYCEROL, SODIUM ION, ... | | Authors: | Sacco, M, Ma, C, Wang, J, Chen, Y. | | Deposit date: | 2020-06-06 | | Release date: | 2020-06-17 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structure and inhibition of the SARS-CoV-2 main protease reveal strategy for developing dual inhibitors against M pro and cathepsin L.
Sci Adv, 6, 2020
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5U7S
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3ZGD
 | | crystal structure of a KEAP1 mutant | | Descriptor: | ACETATE ION, KELCH-LIKE ECH-ASSOCIATED PROTEIN 1, SODIUM ION | | Authors: | Hoerer, S, Reinert, D, Ostmann, K, Hoevels, Y, Nar, H. | | Deposit date: | 2012-12-17 | | Release date: | 2013-06-12 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Crystal-Contact Engineering to Obtain a Crystal Form of the Kelch Domain of Human Keap1 Suitable for Ligand-Soaking Experiments.
Acta Crystallogr.,Sect.F, 69, 2013
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5U6Q
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5TVO
 | | Crystal structure of Trypanosoma brucei AdoMetDC-delta26 monomer | | Descriptor: | PYRUVIC ACID, S-adenosylmethionine decarboxylase proenzyme, SODIUM ION | | Authors: | Volkov, O.A, Ariagno, C, Chen, Z, Tomchick, D.R, Phillips, M.A. | | Deposit date: | 2016-11-09 | | Release date: | 2016-12-28 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.481 Å) | | Cite: | Relief of autoinhibition by conformational switch explains enzyme activation by a catalytically dead paralog.
Elife, 5, 2016
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5TXX
 | | DNA Polymerase Mu Pre-Catalytic Ground State Ternary Complex, Ca2+ | | Descriptor: | 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM ION, ... | | Authors: | Jamsen, J.A, Wilson, S.H. | | Deposit date: | 2016-11-17 | | Release date: | 2017-08-30 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.948 Å) | | Cite: | Time-lapse crystallography snapshots of a double-strand break repair polymerase in action.
Nat Commun, 8, 2017
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5UCQ
 | | The structure of archaeal Inorganic Pyrophosphatase in complex with pyrophosphate | | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, 1,2-ETHANEDIOL, CALCIUM ION, ... | | Authors: | Inoguchi, N, Hughes, R.C, Meehan, E.J, Ng, J.D. | | Deposit date: | 2016-12-22 | | Release date: | 2017-02-08 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | The structure of archaeal Inorganic Pyrophosphatase in complex with pyrophosphate
To Be Published
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5TY1
 | | Identification of a New Zinc Binding Chemotype by Fragment Screening | | Descriptor: | (5R)-5-(2,4-dimethoxyphenyl)-1,3-oxazolidine-2,4-dione, Carbonic anhydrase 2, SODIUM ION, ... | | Authors: | Peat, T.S. | | Deposit date: | 2016-11-18 | | Release date: | 2017-10-04 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Identification of a New Zinc Binding Chemotype by Fragment Screening.
J. Med. Chem., 60, 2017
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6YF2
 | | FKBP12 in complex with the BMP potentiator compound 6 at 1.03A resolution | | Descriptor: | (1~{R},9~{S},12~{S},13~{R},14~{S},17~{R},18~{E},21~{S},23~{S},24~{R},25~{S},27~{R})-23,25-dimethoxy-12-[(~{E})-1-[(1~{R},3~{R},4~{R})-3-methoxy-4-oxidanyl-cyclohexyl]prop-1-en-2-yl]-13,19,21,27-tetramethyl-1,14-bis(oxidanyl)-17-(2-oxidanylidenepropyl)-11,28-dioxa-4-azatricyclo[22.3.1.0^{4,9}]octacos-18-ene-2,3,10,16-tetrone, CADMIUM ION, CHLORIDE ION, ... | | Authors: | Kallen, J. | | Deposit date: | 2020-03-25 | | Release date: | 2021-03-10 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.03 Å) | | Cite: | Phenotypic screen identifies calcineurin-sparing FK506 analogs as BMP potentiators for treatment of acute kidney injury.
Cell Chem Biol, 28, 2021
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6YF3
 | | FKBP12 in complex with the BMP potentiator compound 10 at 1.00A resolution | | Descriptor: | (1~{R},9~{S},12~{S},13~{R},14~{S},17~{R},18~{E},21~{S},23~{S},24~{R},25~{S},27~{R})-17-ethyl-25-methoxy-12-[(~{E})-1-[(1~{R},3~{R},4~{R})-3-methoxy-4-oxidanyl-cyclohexyl]prop-1-en-2-yl]-13,19,21,27-tetramethyl-1,14,23-tris(oxidanyl)-11,28-dioxa-4-azatricyclo[22.3.1.0^{4,9}]octacos-18-ene-2,3,10,16-tetrone, CADMIUM ION, CHLORIDE ION, ... | | Authors: | Kallen, J. | | Deposit date: | 2020-03-25 | | Release date: | 2021-03-10 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1 Å) | | Cite: | Phenotypic screen identifies calcineurin-sparing FK506 analogs as BMP potentiators for treatment of acute kidney injury.
Cell Chem Biol, 28, 2021
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