6X0M
 
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6X1L
 | | The crystal structure of a functional uncharacterized protein KP1_0663 from Klebsiella pneumoniae subsp. pneumoniae NTUH-K2044 | | Descriptor: | WbbZ protein | | Authors: | Tan, K, Wu, R, Endres, M, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2020-05-19 | | Release date: | 2020-06-03 | | Last modified: | 2023-06-14 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | A Structural Systems Biology Approach to High-Risk CG23 Klebsiella pneumoniae.
Microbiol Resour Announc, 12, 2023
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6ZHD
 | | H11-H4 bound to Spike | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Nanobody H11-H4, ... | | Authors: | Clare, D.K, Naismith, J.H, Weckener, M, Vogirala, V.K. | | Deposit date: | 2020-06-22 | | Release date: | 2020-07-29 | | Method: | ELECTRON MICROSCOPY (3.7 Å) | | Cite: | H11-H4 bound to Spike
To Be Published
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7B5G
 | | Crystal structure of E.coli LexA in complex with nanobody NbSOS3(Nb14527) | | Descriptor: | 1,2-ETHANEDIOL, LexA repressor, Nanobody Nb14527, ... | | Authors: | Maso, L, Vascon, F, Chinellato, M, Pardon, E, Steyaert, J, Angelini, A, Tondi, D, Cendron, L. | | Deposit date: | 2020-12-03 | | Release date: | 2022-09-14 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Nanobodies targeting LexA autocleavage disclose a novel suppression strategy of SOS-response pathway.
Structure, 30, 2022
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6WTZ
 | | Cryo-EM structure of E. Coli OmpF | | Descriptor: | Outer membrane porin F | | Authors: | Morgan, C.E, Su, C.-C, Lyu, M, Yu, E.W. | | Deposit date: | 2020-05-04 | | Release date: | 2021-01-20 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (3.15 Å) | | Cite: | A 'Build and Retrieve' methodology to simultaneously solve cryo-EM structures of membrane proteins.
Nat.Methods, 18, 2021
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6X5P
 | | Discovery of Hydroxy Pyrimidine Factor IXa Inhibitors | | Descriptor: | 3-chloro-4-{[5-hydroxy-6-(4-methylphenyl)pyrimidin-4-yl]amino}benzene-1-carboximidamide, CITRIC ACID, Coagulation factor IX, ... | | Authors: | Jayne, C.L, Andreani, T, Chan, T, Chelliah, M.V, Clasby, M.C, Dwyer, M, Eagen, K.A, Fried, S, Greenlee, W.J, Guo, Z, Hawes, B, Hruza, A, Ingram, R, Keertikar, K.M, Neelamkavil, S, Reichert, P, Xia, Y, Chackalamannil, S. | | Deposit date: | 2020-05-26 | | Release date: | 2020-06-24 | | Method: | X-RAY DIFFRACTION (1.997 Å) | | Cite: | Discovery of hydroxy pyrimidine Factor IXa inhibitors.
Bioorg.Med.Chem.Lett., 30, 2020
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6TI7
 | | Mixing Abeta(1-40) and Abeta(1-42) peptides generates unique amyloid fibrils | | Descriptor: | Amyloid-beta precursor protein | | Authors: | Cerofolini, L, Ravera, E, Bologna, S, Wiglenda, T, Boddrich, A, Purfurst, B, Benilova, A, Korsak, M, Gallo, G, Rizzo, D, Gonnelli, L, Fragai, M, De Strooper, B, Wanker, E.E, Luchinat, C. | | Deposit date: | 2019-11-21 | | Release date: | 2020-07-22 | | Last modified: | 2024-06-19 | | Method: | SOLID-STATE NMR | | Cite: | Mixing A beta (1-40) and A beta (1-42) peptides generates unique amyloid fibrils.
Chem.Commun.(Camb.), 56, 2020
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5LRS
 | | The Transcriptional Regulator PrfA from Listeria Monocytogenes in complex with glutathione and a 30-bp operator PrfA-box motif | | Descriptor: | DNA (30-MER), GLUTATHIONE, Listeriolysin positive regulatory factor A | | Authors: | Hall, M, Grundstrom, C, Begum, A, Lindberg, M, Sauer, U.H, Almqvist, F, Johansson, J, Sauer-Eriksson, A.E. | | Deposit date: | 2016-08-19 | | Release date: | 2016-12-07 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Structural basis for glutathione-mediated activation of the virulence regulatory protein PrfA in Listeria.
Proc. Natl. Acad. Sci. U.S.A., 113, 2016
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6WML
 | | Human TLR8 bound to the potent agonist, GS-9688 (Selgantolimod) | | Descriptor: | (2R)-2-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexan-1-ol, 2-acetamido-2-deoxy-beta-D-glucopyranose, Toll-like receptor 8, ... | | Authors: | Appleby, T.C, Perry, J.K, Mish, M, Villasenor, A.G, Mackman, R.L. | | Deposit date: | 2020-04-21 | | Release date: | 2021-02-03 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Discovery of GS-9688 (Selgantolimod) as a Potent and Selective Oral Toll-Like Receptor 8 Agonist for the Treatment of Chronic Hepatitis B.
J.Med.Chem., 63, 2020
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3W69
 | | Crystal structure of human mdm2 with a dihydroimidazothiazole inhibitor | | Descriptor: | (5R,6S)-2-[((2S,5R)-2-{[(3R)-4-acetyl-3-methylpiperazin-1-yl]carbonyl}-5-ethylpyrrolidin-1-yl)carbonyl]-5,6-bis(4-chlorophenyl)-3-isopropyl-6-methyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole, E3 ubiquitin-protein ligase Mdm2, SULFATE ION | | Authors: | Shimizu, H, Katakura, S, Miyazaki, M, Naito, H, Sugimoto, Y, Kawato, H, Okayama, T, Soga, T. | | Deposit date: | 2013-02-12 | | Release date: | 2013-06-05 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Synthesis and evaluation of novel orally active p53-MDM2 interaction inhibitors
Bioorg.Med.Chem., 21, 2013
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6X0L
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6WNQ
 | | E. coli ATP Synthase State 2a | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP synthase epsilon chain, ... | | Authors: | Stewart, A.G, Sobti, M, Walshe, J.L. | | Deposit date: | 2020-04-23 | | Release date: | 2020-06-03 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Cryo-EM structures provide insight into how E. coli F1FoATP synthase accommodates symmetry mismatch.
Nat Commun, 11, 2020
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8Q30
 | | Sulfolobus acidocaldarius AAP filament. | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 6-deoxy-6-sulfo-beta-D-glucopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Isupov, M.N, Gaines, M, Daum, B, McLaren, M. | | Deposit date: | 2023-08-03 | | Release date: | 2024-03-06 | | Last modified: | 2024-06-26 | | Method: | ELECTRON MICROSCOPY (3.22 Å) | | Cite: | CryoEM reveals the structure of an archaeal pilus involved in twitching motility.
Nat Commun, 15, 2024
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6T3V
 | | Psychrophilic aromatic amino acids aminotransferase from Psychrobacter sp. B6 cocrystalized with substrate analog - malic acid | | Descriptor: | (2S)-2-hydroxybutanedioic acid, Aminotransferase, PYRIDOXAL-5'-PHOSPHATE | | Authors: | Rutkiewicz, M, Bujacz, A, Rum, J, Bujacz, G. | | Deposit date: | 2019-10-11 | | Release date: | 2020-11-18 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.62 Å) | | Cite: | Structural Evidence of Active Site Adaptability towards Different Sized Substrates of Aromatic Amino Acid Aminotransferase from Psychrobacter Sp. B6.
Materials, 14, 2021
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4P4P
 | | Crystal structure of Leishmania infantum polymerase beta: Nick complex | | Descriptor: | DNA (5'-D(*CP*AP*GP*TP*AP*CP*T)-3'), DNA (5'-D(P*CP*GP*GP*CP*AP*GP*TP*AP*CP*TP*G)-3'), DNA (5'-D(P*GP*CP*CP*G)-3'), ... | | Authors: | Mejia, E, Burak, M, Alonso, A, Larraga, V, Kunkel, T, Bebenek, K, Garcia-Diaz, M. | | Deposit date: | 2014-03-12 | | Release date: | 2014-08-06 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.2973 Å) | | Cite: | Structures of the Leishmania infantum polymerase beta.
DNA Repair (Amst.), 18, 2014
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6X42
 | | High Resolution Crystal Structure Analysis of SERA5E from plasmodium falciparum | | Descriptor: | 1,2-ETHANEDIOL, 5-amino-2,4,6-triiodobenzene-1,3-dicarboxylic acid, CALCIUM ION, ... | | Authors: | Clarke, O.B, Smith, N.A, Lee, M, Smith, B.J. | | Deposit date: | 2020-05-21 | | Release date: | 2020-10-07 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Structure of the Plasmodium falciparum PfSERA5 pseudo-zymogen.
Protein Sci., 29, 2020
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6TJO
 | | Cryo-EM structure of TypeI tau filaments extracted from the brains of individuals with Corticobasal degeneration | | Descriptor: | Microtubule-associated protein tau | | Authors: | Zhang, W, Murzin, A.G, Falcon, B, Shi, Y, Goedert, M, Scheres, S.H.W. | | Deposit date: | 2019-11-26 | | Release date: | 2020-02-05 | | Last modified: | 2024-05-22 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Novel tau filament fold in corticobasal degeneration.
Nature, 580, 2020
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4P6R
 | | Crystal Structure of tyrosinase from Bacillus megaterium with tyrosine in the active site | | Descriptor: | TYROSINE, Tyrosinase, ZINC ION | | Authors: | Goldfeder, M, Kanteev, M, Adir, N, Fishman, A. | | Deposit date: | 2014-03-25 | | Release date: | 2014-07-30 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Determination of tyrosinase substrate-binding modes reveals mechanistic differences between type-3 copper proteins.
Nat Commun, 5, 2014
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7BTV
 | | Crystal structure of EHMT2 SET domain in complex with compound 5. | | Descriptor: | Histone-lysine N-methyltransferase EHMT2, N~2~-{4-methoxy-3-[3-(pyrrolidin-1-yl)propoxy]phenyl}-N~4~,6-dimethylpyrimidine-2,4-diamine, S-ADENOSYLMETHIONINE, ... | | Authors: | Suzuki, M, Mizuno, T, Katayama, K. | | Deposit date: | 2020-04-03 | | Release date: | 2020-11-11 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Discovery of novel histone lysine methyltransferase G9a/GLP (EHMT2/1) inhibitors: Design, synthesis, and structure-activity relationships of 2,4-diamino-6-methylpyrimidines.
Bioorg.Med.Chem.Lett., 30, 2020
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6T7P
 | | human plasmakallikrein protease domain in complex with active site directed inhibitor | | Descriptor: | (2~{S},4~{R})-1-[[(3~{S})-3-azanyl-2,3-dihydro-1-benzofuran-6-yl]carbonyl]-~{N}-(3-chlorophenyl)-4-phenyl-pyrrolidine-2-carboxamide, DIMETHYL SULFOXIDE, GLUTATHIONE, ... | | Authors: | Renatus, M. | | Deposit date: | 2019-10-22 | | Release date: | 2020-07-08 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.416 Å) | | Cite: | Structure-Based Design and Preclinical Characterization of Selective and Orally Bioavailable Factor XIa Inhibitors: Demonstrating the Power of an Integrated S1 Protease Family Approach.
J.Med.Chem., 63, 2020
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6WEN
 | | Crystal Structure of ADP ribose phosphatase of NSP3 from SARS-CoV-2 in the apo form | | Descriptor: | CHLORIDE ION, Non-structural protein 3 | | Authors: | Michalska, K, Stols, L, Jedrzejczak, R, Endres, M, Babnigg, G, Kim, Y, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2020-04-02 | | Release date: | 2020-04-15 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Crystal structures of SARS-CoV-2 ADP-ribose phosphatase: from the apo form to ligand complexes.
Iucrj, 7, 2020
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6WVL
 | | Low curvature lateral interaction within a 13-protofilament, Taxol stabilized microtubule | | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Debs, G.E, Cha, M, Huehn, A.R, Sindelar, C.V. | | Deposit date: | 2020-05-06 | | Release date: | 2020-05-20 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Dynamic and asymmetric fluctuations in the microtubule wall captured by high-resolution cryoelectron microscopy.
Proc.Natl.Acad.Sci.USA, 117, 2020
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4L6E
 | | Crystal Structure of the RanBD1 fourth domain of E3 SUMO-protein ligase RanBP2. Northeast Structural Genomics Consortium (NESG) Target HR9193b | | Descriptor: | E3 SUMO-protein ligase RanBP2 | | Authors: | Vorobiev, S, Su, M, Seetharaman, J, Mao, L, Xiao, R, Maglaqui, M, Kogan, S, Wang, H, Everett, J.K, Acton, T.B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2013-06-12 | | Release date: | 2013-06-26 | | Method: | X-RAY DIFFRACTION (2.496 Å) | | Cite: | Crystal Structure of the RanBD1 fourth domain of E3 SUMO-protein ligase RanBP2.
To be Published
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2RFI
 | | Crystal structure of catalytic domain of human euchromatic histone methyltransferase 1 in complex with SAH and dimethylated H3K9 peptide | | Descriptor: | Histone H3, Histone-lysine N-methyltransferase, H3 lysine-9 specific 5, ... | | Authors: | Min, J, Wu, H, Loppnau, P, Weigelt, J, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Plotnikov, A.N, Structural Genomics Consortium (SGC) | | Deposit date: | 2007-09-30 | | Release date: | 2007-10-23 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.59 Å) | | Cite: | Structural biology of human H3K9 methyltransferases
Plos One, 5, 2010
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6WGR
 | | The crystal structure of a beta-lactamase from Staphylococcus aureus subsp. aureus USA300_TCH1516 | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Beta-lactamase, GLYCEROL | | Authors: | Tan, K, Wu, R, Endres, M, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2020-04-06 | | Release date: | 2020-04-15 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | The crystal structure of a beta-lactamase from Staphylococcus aureus subsp. aureus USA300_TCH1516
To Be Published
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