7JWL
 
 | | Crystal Structure of Pseudomonas aeruginosa Penicillin Binding Protein 3 (PAE-PBP3) bound to ETX0462 | | Descriptor: | CHLORIDE ION, ETX0462 (Bound form), Peptidoglycan D,D-transpeptidase FtsI | | Authors: | Mayclin, S.J, Abendroth, J, Horanyi, P.S, Sylvester, M, Wu, X, Shapiro, A, Moussa, S, Durand-Reville, T.F. | | Deposit date: | 2020-08-25 | | Release date: | 2021-05-26 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Rational design of a new antibiotic class for drug-resistant infections.
Nature, 597, 2021
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4MB9
 | | Structure of Streptococcus pneumonia ParE in complex with AZ13102335 | | Descriptor: | 1-ethyl-3-{6-(pyrimidin-5-yl)-5-[(3R)-tetrahydrofuran-3-ylmethoxy][1,3]thiazolo[5,4-b]pyridin-2-yl}urea, DNA topoisomerase IV, B subunit, ... | | Authors: | Ogg, D, Tucker, J. | | Deposit date: | 2013-08-19 | | Release date: | 2013-10-16 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Thiazolopyridine Ureas as Novel Antitubercular Agents Acting through Inhibition of DNA Gyrase B.
J.Med.Chem., 56, 2013
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4MBC
 | | Structure of Streptococcus pneumonia ParE in complex with AZ13053807 | | Descriptor: | 1-{5-[2-(morpholin-4-yl)ethoxy]-6-(pyridin-3-yl)[1,3]thiazolo[5,4-b]pyridin-2-yl}-3-prop-2-en-1-ylurea, DNA topoisomerase IV, B subunit | | Authors: | Ogg, D, Tucker, J. | | Deposit date: | 2013-08-19 | | Release date: | 2013-10-16 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Thiazolopyridine Ureas as Novel Antitubercular Agents Acting through Inhibition of DNA Gyrase B.
J.Med.Chem., 56, 2013
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4MOT
 | | Structure of Streptococcus pneumonia pare in complex with AZ13072886 | | Descriptor: | 1-[4-(3-methylbutyl)-5-oxo-6-(pyridin-3-yl)-4,5-dihydro[1,3]thiazolo[5,4-b]pyridin-2-yl]-3-prop-2-en-1-ylurea, Topoisomerase IV subunit B | | Authors: | Ogg, D, Boriack-Sjodin, P.A. | | Deposit date: | 2013-09-12 | | Release date: | 2013-11-20 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Thiazolopyridone ureas as DNA gyrase B inhibitors: Optimization of antitubercular activity and efficacy.
Bioorg.Med.Chem.Lett., 24, 2014
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3KZ0
 | | MCL-1 complex with MCL-1-specific selected peptide | | Descriptor: | Induced myeloid leukemia cell differentiation protein Mcl-1, Mcl-1 specific peptide MB7, SULFATE ION, ... | | Authors: | Dutta, S, Fire, E, Grant, R.A, Sauer, R.T, Keating, A.E. | | Deposit date: | 2009-12-07 | | Release date: | 2010-05-05 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.349 Å) | | Cite: | Determinants of BH3 binding specificity for Mcl-1 versus Bcl-xL.
J.Mol.Biol., 398, 2010
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8CDW
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8VSU
 | | Cryo-EM structure of LKB1-STRADalpha-MO25alpha heterocomplex | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Calcium-binding protein 39, Isoform 3 of STE20-related kinase adapter protein alpha, ... | | Authors: | Chan, L.M, Courteau, B.J, Verba, K.A. | | Deposit date: | 2024-01-24 | | Release date: | 2024-07-10 | | Last modified: | 2025-05-28 | | Method: | ELECTRON MICROSCOPY (2.86 Å) | | Cite: | High-resolution single-particle imaging at 100-200 keV with the Gatan Alpine direct electron detector.
J.Struct.Biol., 216, 2024
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3GX4
 | | Crystal Structure Analysis of S. Pombe ATL in complex with DNA | | Descriptor: | Alkyltransferase-like protein 1, COBALT HEXAMMINE(III), DNA (5'-D(*CP*TP*AP*CP*TP*AP*GP*CP*CP*AP*TP*GP*G)-3'), ... | | Authors: | Tubbs, J.L, Arvai, A.S, Tainer, J.A. | | Deposit date: | 2009-04-01 | | Release date: | 2009-06-09 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Flipping of alkylated DNA damage bridges base and nucleotide excision repair.
Nature, 459, 2009
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3GVA
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3GYH
 | | Crystal Structure Analysis of S. Pombe ATL in complex with damaged DNA containing POB | | Descriptor: | 1-PYRIDIN-3-YLBUTAN-1-ONE, Alkyltransferase-like protein 1, DNA (5'-D(*CP*TP*AP*CP*TP*AP*GP*CP*CP*AP*TP*GP*G)-3'), ... | | Authors: | Tubbs, J.L, Arvai, A.S, Tainer, J.A, Shin, D.S. | | Deposit date: | 2009-04-03 | | Release date: | 2009-06-16 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Flipping of alkylated DNA damage bridges base and nucleotide excision repair.
Nature, 459, 2009
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4GSY
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4HDC
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8DUZ
 | | Protective antibody against gonococcal lipooligosaccharide bound to peptide mimetic | | Descriptor: | ACETATE ION, CHLORIDE ION, GLYCEROL, ... | | Authors: | Beernink, P.T, Beernink, B.P, Rice, P.A, Ram, S. | | Deposit date: | 2022-07-27 | | Release date: | 2023-07-05 | | Last modified: | 2024-11-27 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Gonococcal Mimitope Vaccine Candidate Forms a Beta-Hairpin Turn and Binds Hydrophobically to a Therapeutic Monoclonal Antibody.
Jacs Au, 4, 2024
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3MG5
 | | Core-streptavidin mutant F130L in complex with biotin | | Descriptor: | BIOTIN, GLYCEROL, Streptavidin | | Authors: | Le Trong, I, Baugh, L, Stayton, P.S, Lybrand, T.P, Stenkamp, R.E. | | Deposit date: | 2010-04-05 | | Release date: | 2010-05-26 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | A distal point mutation in the streptavidin-biotin complex preserves structure but diminishes binding affinity: experimental evidence of electronic polarization effects?
Biochemistry, 49, 2010
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5TQL
 | | Crystal structure of TIM-Barrel protein HisF-C9S | | Descriptor: | Imidazole glycerol phosphate synthase subunit HisF, PHOSPHATE ION | | Authors: | Bender, B.J, Meiler, J. | | Deposit date: | 2016-10-24 | | Release date: | 2016-11-16 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Experimental and Computational Identification of Naive Binders to a TIM-Barrel Protein Scaffold
To Be Published
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8DOZ
 | | Protective antibody against gonococcal lipooligosaccharide | | Descriptor: | ACETATE ION, Fab 2C7 lambda light chain, Fab 2C7, ... | | Authors: | Beernink, P.T. | | Deposit date: | 2022-07-14 | | Release date: | 2023-06-21 | | Last modified: | 2024-11-27 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Gonococcal Mimitope Vaccine Candidate Forms a Beta-Hairpin Turn and Binds Hydrophobically to a Therapeutic Monoclonal Antibody.
Jacs Au, 4, 2024
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1XN4
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1X9G
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5VFD
 | | Diazabicyclooctenone ETX2514 bound to Class D beta lactamase OXA-24 from A. baumannii | | Descriptor: | (2S,5R)-1-formyl-4-methyl-5-[(sulfooxy)amino]-1,2,5,6-tetrahydropyridine-2-carboxamide, (2S,5R)-4-methyl-7-oxo-6-(sulfooxy)-1,6-diazabicyclo[3.2.1]oct-3-ene-2-carboxamide, Beta-lactamase, ... | | Authors: | Olivier, N.B, Lahiri, S. | | Deposit date: | 2017-04-07 | | Release date: | 2017-06-07 | | Last modified: | 2025-03-26 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | ETX2514 is a broad-spectrum beta-lactamase inhibitor for the treatment of drug-resistant Gram-negative bacteria including Acinetobacter baumannii.
Nat Microbiol, 2, 2017
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3T6L
 | | Y54F mutant of core streptavidin | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Streptavidin | | Authors: | Baugh, L, Le Trong, I, Stayton, P.S, Stenkamp, R.E, Lybrand, T.P. | | Deposit date: | 2011-07-28 | | Release date: | 2011-12-21 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Second-Contact Shell Mutation Diminishes Streptavidin-Biotin Binding Affinity through Transmitted Effects on Equilibrium Dynamics.
Biochemistry, 51, 2012
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8CIJ
 | | CRYSTAL STRUCTURE OF HUMAN HPK1 (MAP4K1) COMPLEX WITH 2-[8-Amino-7-fluoro-6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-isoquinolin-3-ylamino]-6-isopropyl-5,6-dihydro-4H-1,6,8a-triaza-azulen-7-one | | Descriptor: | 2-[[8-azanyl-7-fluoranyl-6-(8-methyl-2,3-dihydro-1~{H}-pyrido[2,3-b][1,4]oxazin-7-yl)isoquinolin-3-yl]amino]-6-propan-2-yl-5,8-dihydro-4~{H}-pyrazolo[1,5-d][1,4]diazepin-7-one, Mitogen-activated protein kinase kinase kinase kinase 1 | | Authors: | Musil, D, Toure, M. | | Deposit date: | 2023-02-09 | | Release date: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.821 Å) | | Cite: | Discovery of quinazoline HPK1 inhibitors with high cellular potency.
Bioorg.Med.Chem., 92, 2023
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7LER
 | | Netrin-1 filament assembly | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Netrin-1, ... | | Authors: | McDougall, M, Gupta, M, Stetefeld, J. | | Deposit date: | 2021-01-14 | | Release date: | 2022-02-23 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (5.99 Å) | | Cite: | The dynamic nature of netrin-1 and the structural basis for glycosaminoglycan fragment-induced filament formation.
Nat Commun, 14, 2023
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1HVJ
 | | INFLUENCE OF STEREOCHEMISTRY ON ACTIVITY AND BINDING MODES FOR C2 SYMMETRY-BASED DIOL INHIBITORS OF HIV-1 PROTEASE | | Descriptor: | HIV-1 PROTEASE, N-{1-BENZYL-3-HYDROXY-4-[3-METHYL-2-(3-METHYL-3-PYRIDIN-2-YLMETHYL-UREIDO)-BUTYRYLAMINO]-5-PHENYL-PENTYL}-3-METHYL-2-(3-METHYL-3-PYRIDIN-2-YLMETHYL-UREIDO)-BUTYRAMIDE | | Authors: | Bhat, T.N, Hosur, M.V, Baldwin, E.T, Erickson, J.W. | | Deposit date: | 1994-01-26 | | Release date: | 1994-04-30 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Influence of Stereochemistry on Activity and Binding Modes for C2 Symmetry-Based Diol Inhibitors of HIV-1 Protease
J.Am.Chem.Soc., 116, 1994
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7LRF
 | | Netrin-1 in complex with SOS | | Descriptor: | 1,2-ETHANEDIOL, 1,3,4,6-tetra-O-sulfo-beta-D-fructofuranose-(2-1)-2,3,4,6-tetra-O-sulfonato-alpha-D-glucopyranose, 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, ... | | Authors: | Gupta, M, McDougall, M, Torres, A.M, Stetefeld, J. | | Deposit date: | 2021-02-16 | | Release date: | 2022-02-23 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (3.21 Å) | | Cite: | The dynamic nature of netrin-1 and the structural basis for glycosaminoglycan fragment-induced filament formation.
Nat Commun, 14, 2023
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4RJW
 | | Crystal structure of Pseudomonas aeruginosa OprO | | Descriptor: | (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, Porin O | | Authors: | van den Berg, B. | | Deposit date: | 2014-10-11 | | Release date: | 2015-10-21 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.52 Å) | | Cite: | Structure, Dynamics, and Substrate Specificity of the OprO Porin from Pseudomonas aeruginosa.
Biophys.J., 109, 2015
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