6D8T
 
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7JJD
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7KER
 | | avibactam-CDD-1 45 minute complex | | Descriptor: | (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, (2S,5R)-7-oxo-6-(sulfooxy)-1,6-diazabicyclo[3.2.1]octane-2-carboxamide, (4S)-2-METHYL-2,4-PENTANEDIOL, ... | | Authors: | Smith, C.A, Vakulenko, S.B, Stewart, N.K, Toth, M. | | Deposit date: | 2020-10-12 | | Release date: | 2021-01-20 | | Last modified: | 2021-05-26 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | Inhibition of the Clostridioides difficile Class D beta-Lactamase CDD-1 by Avibactam.
Acs Infect Dis., 7, 2021
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6H5J
 | | Crystal structure of DHQ1 from Salmonella typhi covalently modified by ligand 4 | | Descriptor: | (3~{R})-3,4,5-tris(hydroxyl)cyclohexane-1-carboxylic acid, 3-dehydroquinate dehydratase | | Authors: | Otero, J.M, Maneiro, M, Lence, E, Sanz-Gaitero, M, Thompson, P, Hawkins, A.R, Gonzalez-Bello, C, van Raaij, M.J. | | Deposit date: | 2018-07-24 | | Release date: | 2019-07-24 | | Last modified: | 2019-10-09 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Hydroxylammonium Derivatives for Selective Active-site Lysine Modification in the Anti-virulence Bacterial Target DHQ1 Enzyme.
Org Chem Front, 6, 2019
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7KIS
 | | Crystal structure of Pseudomonas aeruginosa PBP2 in complex with WCK 5153 | | Descriptor: | (2S,5R)-1-formyl-N'-[(3R)-pyrrolidine-3-carbonyl]-5-[(sulfooxy)amino]piperidine-2-carbohydrazide, CHLORIDE ION, Peptidoglycan D,D-transpeptidase MrdA | | Authors: | Rajavel, M, van den Akker, F. | | Deposit date: | 2020-10-24 | | Release date: | 2021-01-13 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.869 Å) | | Cite: | Structural Characterization of Diazabicyclooctane beta-Lactam "Enhancers" in Complex with Penicillin-Binding Proteins PBP2 and PBP3 of Pseudomonas aeruginosa.
Mbio, 12, 2021
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7JGV
 | | CRYSTAL STRUCTURE OF BCL-XL IN COMPLEX WITH COMPOUND 1620116, CRYSTAL FORM 2 | | Descriptor: | 6-[(8E)-8-{2-[4-(benzylcarbamoyl)-1,3-thiazol-2-yl]hydrazinylidene}-5,6,7,8-tetrahydronaphthalen-2-yl]-3-(2-phenylethoxy)pyridine-2-carboxylic acid, Bcl-2-like protein 1 | | Authors: | Lee, M, Fairlie, W.D, Smith, B.J, Lee, E.F. | | Deposit date: | 2020-07-19 | | Release date: | 2021-02-24 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Optimization of Benzothiazole and Thiazole Hydrazones as Inhibitors of Schistosome BCL-2.
Acs Infect Dis., 7, 2021
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5CQG
 | | Structure of Tribolium telomerase in complex with the highly specific inhibitor BIBR1532 | | Descriptor: | 2-{[(2E)-3-(naphthalen-2-yl)but-2-enoyl]amino}benzoic acid, Telomerase reverse transcriptase | | Authors: | Bryan, C, Rice, C, Hoffman, H, Harkisheimer, M, Sweeney, M, Skordalakes, E. | | Deposit date: | 2015-07-21 | | Release date: | 2015-09-09 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural Basis of Telomerase Inhibition by the Highly Specific BIBR1532.
Structure, 23, 2015
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7JGW
 | | Crystal structure of BCL-XL in complex with COMPOUND 1620116, CRYSTAL FORM 1 | | Descriptor: | 6-[(8E)-8-{2-[4-(benzylcarbamoyl)-1,3-thiazol-2-yl]hydrazinylidene}-5,6,7,8-tetrahydronaphthalen-2-yl]-3-(2-phenylethoxy)pyridine-2-carboxylic acid, Bcl-2-like protein 1 | | Authors: | Lee, M, Fairlie, W.D, Smith, B.J, Lee, E.F. | | Deposit date: | 2020-07-19 | | Release date: | 2021-02-24 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Optimization of Benzothiazole and Thiazole Hydrazones as Inhibitors of Schistosome BCL-2.
Acs Infect Dis., 7, 2021
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1ZVK
 | | Structure of Double mutant, D164N, E78H of Kumamolisin-As | | Descriptor: | CALCIUM ION, kumamolisin-As | | Authors: | Li, M, Wlodawer, A, Gustchina, A, Nakayama, T. | | Deposit date: | 2005-06-02 | | Release date: | 2006-05-23 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.04 Å) | | Cite: | Processing, catalytic activity and crystal structures of kumamolisin-As with an engineered active site.
Febs J., 273, 2006
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5WHM
 | | Crystal Structure of IclR Family Transcriptional Regulator from Brucella abortus | | Descriptor: | 1,2-ETHANEDIOL, ACETIC ACID, CALCIUM ION, ... | | Authors: | Kim, Y, Wu, R, Tesar, C, Endres, M, Babnigg, G, Crosson, S, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2017-07-17 | | Release date: | 2017-08-23 | | Last modified: | 2019-11-27 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Molecular control of gene expression byBrucellaBaaR, an IclR-type transcriptional repressor.
J. Biol. Chem., 293, 2018
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8BD5
 | | Cas12k-sgRNA-dsDNA-S15-TniQ-TnsC transposon recruitment complex | | Descriptor: | 30S ribosomal protein S15, ADENOSINE-5'-TRIPHOSPHATE, DNA non-target strand, ... | | Authors: | Schmitz, M, Querques, I, Oberli, S, Chanez, C, Jinek, M. | | Deposit date: | 2022-10-18 | | Release date: | 2022-12-28 | | Last modified: | 2024-07-24 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Structural basis for the assembly of the type V CRISPR-associated transposon complex.
Cell, 185, 2022
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7KNH
 | | Cryo-EM Structure of Double ACE2-Bound SARS-CoV-2 Trimer Spike at pH 5.5 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, ... | | Authors: | Gorman, J, Rapp, M, Kwong, P.D, Shapiro, L. | | Deposit date: | 2020-11-04 | | Release date: | 2020-12-16 | | Last modified: | 2021-12-15 | | Method: | ELECTRON MICROSCOPY (3.74 Å) | | Cite: | Cryo-EM Structures of SARS-CoV-2 Spike without and with ACE2 Reveal a pH-Dependent Switch to Mediate Endosomal Positioning of Receptor-Binding Domains.
Cell Host Microbe, 28, 2020
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1BFE
 | | THE THIRD PDZ DOMAIN FROM THE SYNAPTIC PROTEIN PSD-95 | | Descriptor: | PSD-95 | | Authors: | Doyle, D.A, Lee, A, Lewis, J, Kim, E, Sheng, M, Mackinnon, R. | | Deposit date: | 1998-05-20 | | Release date: | 1998-10-21 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal structures of a complexed and peptide-free membrane protein-binding domain: molecular basis of peptide recognition by PDZ.
Cell(Cambridge,Mass.), 85, 1996
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1LYO
 | | CROSS-LINKED LYSOZYME CRYSTAL IN NEAT WATER | | Descriptor: | LYSOZYME | | Authors: | Huang, Q, Wang, Z, Zhu, G, Qian, M, Shao, M, Jia, Y, Tang, Y. | | Deposit date: | 1998-03-05 | | Release date: | 1998-05-27 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | X-ray studies on cross-linked lysozyme crystals in acetonitrile-water mixture.
Biochim.Biophys.Acta, 1384, 1998
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2PA2
 | | Crystal structure of human Ribosomal protein L10 core domain | | Descriptor: | 60S ribosomal protein L10, POTASSIUM ION | | Authors: | Nishimura, M, Kaminishi, T, Takemoto, C, Kawazoe, M, Yoshida, T, Tanaka, A, Sugano, S, Shirouzu, M, Ohkubo, T, Yokoyama, S, Kobayashi, Y, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 2007-03-27 | | Release date: | 2008-03-11 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal Structure of Human Ribosomal Protein L10 Core Domain Reveals Eukaryote-Specific Motifs in Addition to the Conserved Fold
J.Mol.Biol., 377, 2008
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7JIU
 | | HUMAN PI3KDELTA IN COMPLEX WITH COMPOUND 2F | | Descriptor: | (3S)-3-benzyl-5-[9-ethyl-8-(2-methylpyrimidin-5-yl)-9H-purin-6-yl]-3-methyl-1,3-dihydro-2H-indol-2-one, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | | Authors: | Lesburg, C.A, Augustin, M. | | Deposit date: | 2020-07-23 | | Release date: | 2021-06-30 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.12 Å) | | Cite: | Optimization of Versatile Oxindoles as Selective PI3K delta Inhibitors.
Acs Med.Chem.Lett., 11, 2020
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6G7L
 | | Retinal isomerization in bacteriorhodopsin revealed by a femtosecond X-ray laser: 8.3 ms state structure | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 1-[2,6,10.14-TETRAMETHYL-HEXADECAN-16-YL]-2-[2,10,14-TRIMETHYLHEXADECAN-16-YL]GLYCEROL, Bacteriorhodopsin, ... | | Authors: | Nogly, P, Weinert, T, James, D, Cabajo, S, Ozerov, D, Furrer, A, Gashi, D, Borin, V, Skopintsev, P, Jaeger, K, Nass, K, Bath, P, Bosman, R, Koglin, J, Seaberg, M, Lane, T, Kekilli, D, Bruenle, S, Tanaka, T, Wu, W, Milne, C, White, T, Barty, A, Weierstall, U, Panneels, V, Nango, E, Iwata, S, Hunter, M, Schapiro, I, Schertler, G, Neutze, R, Standfuss, J. | | Deposit date: | 2018-04-06 | | Release date: | 2018-06-27 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Retinal isomerization in bacteriorhodopsin captured by a femtosecond x-ray laser.
Science, 361, 2018
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8BD4
 | | TniQ-capped Tns-ATP-dsDNA complex | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, DNA (5'-D(P*GP*AP*TP*CP*GP*AP*TP*CP*GP*AP*TP*CP*GP*AP*TP*C)-3'), MAGNESIUM ION, ... | | Authors: | Querques, I, Schmitz, M, Oberli, S, Chanez, C, Jinek, M. | | Deposit date: | 2022-10-18 | | Release date: | 2022-12-28 | | Last modified: | 2024-07-24 | | Method: | ELECTRON MICROSCOPY (3.44 Å) | | Cite: | Structural basis for the assembly of the type V CRISPR-associated transposon complex.
Cell, 185, 2022
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6G8G
 | | Flavonoid-responsive Regulator FrrA in complex with Genistein | | Descriptor: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, GENISTEIN, TetR/AcrR family transcriptional regulator | | Authors: | Werner, N, Hoppen, J, Palm, G, Werten, S, Goettfert, M, Hinrichs, W. | | Deposit date: | 2018-04-08 | | Release date: | 2019-04-17 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | The induction mechanism of the flavonoid-responsive regulator FrrA.
Febs J., 2021
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6G2H
 | | Filament of acetyl-CoA carboxylase and BRCT domains of BRCA1 (ACC-BRCT) core at 4.6 A resolution | | Descriptor: | Acetyl-CoA carboxylase 1 | | Authors: | Hunkeler, M, Hagmann, A, Stuttfeld, E, Chami, M, Stahlberg, H, Maier, T. | | Deposit date: | 2018-03-23 | | Release date: | 2018-06-13 | | Last modified: | 2024-05-15 | | Method: | ELECTRON MICROSCOPY (4.6 Å) | | Cite: | Structural basis for regulation of human acetyl-CoA carboxylase.
Nature, 558, 2018
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5UJG
 | | ovGRN12-35_3s | | Descriptor: | Granulin | | Authors: | Bansal, P, Smout, M, Wilson, D, Caceres, C.C, Dastpeyman, M, Sotillo, J, Seifert, J, Brindley, P, Loukas, A, Daly, N. | | Deposit date: | 2017-01-17 | | Release date: | 2018-01-24 | | Last modified: | 2023-06-14 | | Method: | SOLUTION NMR | | Cite: | Development of a Potent Wound Healing Agent Based on the Liver Fluke Granulin Structural Fold.
J. Med. Chem., 60, 2017
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6IC6
 | | Human cathepsin-C in complex with cyclopropyl peptidyl nitrile inhibitor 1 | | Descriptor: | (2~{S})-~{N}-[(1~{R},2~{R})-1-(aminomethyl)-2-[4-[4-(trifluoromethyl)phenyl]phenyl]cyclopropyl]-2-azanyl-butanamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ... | | Authors: | Hakansson, M, Logan, D.T, Korkmaz, B, Lesner, A, Wysocka, M, Gieldon, A, Gauthier, F, Jenne, D, Lauritzen, C, Pedersen, J. | | Deposit date: | 2018-12-02 | | Release date: | 2019-04-24 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.898 Å) | | Cite: | Structure-based design and in vivo anti-arthritic activity evaluation of a potent dipeptidyl cyclopropyl nitrile inhibitor of cathepsin C.
Biochem. Pharmacol., 164, 2019
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3OR3
 | | Restriction endonuclease HPY188I in complex with product DNA | | Descriptor: | 5'-D(*GP*AP*TP*CP*T)-3', 5'-D(*GP*TP*TP*CP*A)-3', 5'-D(P*GP*AP*AP*C)-3', ... | | Authors: | Sokolowska, M, Czapinska, H, Bochtler, M. | | Deposit date: | 2010-09-06 | | Release date: | 2010-10-20 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Hpy188I-DNA pre- and post-cleavage complexes--snapshots of the GIY-YIG nuclease mediated catalysis.
Nucleic Acids Res., 39, 2011
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6G7H
 | | Retinal isomerization in bacteriorhodopsin revealed by a femtosecond X-ray laser: resting state structure | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 1-[2,6,10.14-TETRAMETHYL-HEXADECAN-16-YL]-2-[2,10,14-TRIMETHYLHEXADECAN-16-YL]GLYCEROL, Bacteriorhodopsin, ... | | Authors: | Nogly, P, Weinert, T, James, D, Cabajo, S, Ozerov, D, Furrer, A, Gashi, D, Borin, V, Skopintsev, P, Jaeger, K, Nass, K, Bath, P, Bosman, R, Koglin, J, Seaberg, M, Lane, T, Kekilli, D, Bruenle, S, Tanaka, T, Wu, W, Milne, C, White, T, Barty, A, Weierstall, U, Panneels, V, Nango, E, Iwata, S, Hunter, M, Schapiro, I, Schertler, G, Neutze, R, Standfuss, J. | | Deposit date: | 2018-04-06 | | Release date: | 2018-06-27 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Retinal isomerization in bacteriorhodopsin captured by a femtosecond x-ray laser.
Science, 361, 2018
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6IF0
 | | Crystal structure of CERT START domain in complex with compound D16 | | Descriptor: | 2-({4'-pentyl-3'-[(Z)-2-(pyridin-2-yl)ethenyl][1,1'-biphenyl]-4-yl}sulfonyl)ethan-1-ol, LIPID-TRANSFER PROTEIN CERT | | Authors: | Suzuki, M, Nakao, N, Ueno, M, Sakai, S, Egawa, D, Hanzawa, H, Kawasaki, S, Kumagai, K, Kobayashi, S, Hanada, K. | | Deposit date: | 2018-09-18 | | Release date: | 2019-02-27 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Natural ligand-nonmimetic inhibitors of the lipid-transfer protein CERT
Commun Chem, 2019
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