7QUK
 
 | | ATAD2 in complex with FragLite1 | | Descriptor: | 1,2-ETHANEDIOL, 4-bromo-1H-pyrazole, ATPase family AAA domain-containing protein 2, ... | | Authors: | Turberville, S, Martin, M.P, Hope, I, Noble, M.E.M. | | Deposit date: | 2022-01-18 | | Release date: | 2022-11-23 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.47 Å) | | Cite: | Mapping Ligand Interactions of Bromodomains BRD4 and ATAD2 with FragLites and PepLites─Halogenated Probes of Druglike and Peptide-like Molecular Interactions.
J.Med.Chem., 65, 2022
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7Q9O
 | | Complex of Transthyretin with resveratrol exhibits multiple binding modes | | Descriptor: | GLYCEROL, RESVERATROL, SODIUM ION, ... | | Authors: | Derbyshire, D.J, Hammarstrom, P, von Castelmur, E, Begum, A. | | Deposit date: | 2021-11-12 | | Release date: | 2022-11-23 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Transthyretin Binding Mode Dichotomy of Fluorescent trans -Stilbene Ligands.
Acs Chem Neurosci, 14, 2023
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5FNR
 | | Structure of the Keap1 Kelch domain in complex with a small molecule inhibitor. | | Descriptor: | (3S)-3-(4-chlorophenyl)-3-(1-methylbenzotriazol-5-yl)propanoic acid, KELCH-LIKE ECH-ASSOCIATED PROTEIN 1 | | Authors: | Davies, T.G, Wixted, W.E, Coyle, J.E, Griffiths-Jones, C, Hearn, K, McMenamin, R, Norton, D, Rich, S.J, Richardson, C, Saxty, G, Willems, H.M.G, Woolford, A.J, Cottom, J.E, Kou, J, Yonchuk, J.G, Feldser, H.G, Sanchez, Y, Foley, J.P, Bolognese, B.J, Logan, G, Podolin, P.L, Yan, H, Callahan, J.F, Heightman, T.D, Kerns, J.K. | | Deposit date: | 2015-11-16 | | Release date: | 2016-04-13 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | Mono-Acidic Inhibitors of the Kelch-Like Ech-Associated Protein 1 : Nuclear Factor Erythroid 2-Related Factor 2 (Keap1:Nrf2) Protein-Protein Interaction with High Cell Potency Identified by Fragment-Based Discovery.
J.Med.Chem., 59, 2016
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7B8L
 | | Notum-Fragment 174 | | Descriptor: | 1,2-ETHANEDIOL, 2,4-bis(fluoranyl)-6-(1~{H}-pyrazol-3-yl)phenol, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Zhao, Y, Jonees, E.Y. | | Deposit date: | 2020-12-13 | | Release date: | 2022-01-12 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Structural Analysis and Development of Notum Fragment Screening Hits.
Acs Chem Neurosci, 13, 2022
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7B8Y
 | | Notum-Fragment 276 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 5-(3-ethoxyphenyl)-1,3,4-thiadiazol-2-amine, DIMETHYL SULFOXIDE, ... | | Authors: | Zhao, Y, Jonees, E.Y. | | Deposit date: | 2020-12-13 | | Release date: | 2022-01-12 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.57 Å) | | Cite: | Structural Analysis and Development of Notum Fragment Screening Hits.
Acs Chem Neurosci, 13, 2022
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4QPI
 | | Crystal structure of hepatitis A virus | | Descriptor: | CHLORIDE ION, Capsid protein VP1, Capsid protein VP2, ... | | Authors: | Wang, X, Ren, J, Gao, Q, Hu, Z, Sun, Y, Li, X, Rowlands, D.J, Yin, W, Wang, J, Stuart, D.I, Rao, Z, Fry, E.E. | | Deposit date: | 2014-06-23 | | Release date: | 2014-10-15 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (3.01 Å) | | Cite: | Hepatitis A virus and the origins of picornaviruses.
Nature, 517, 2015
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6FRN
 | | Structure of F420H2 oxidase (FprA) co-crystallized with 10mM Tb-Xo4 and calcium chloride | | Descriptor: | 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, CALCIUM ION, F420H2 oxidase (FprA), ... | | Authors: | Engilberge, S, Riobe, F, Di Pietro, S, Wagner, T, Shima, S, Girard, E, Dumont, E, Maury, O. | | Deposit date: | 2018-02-16 | | Release date: | 2018-10-03 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.74 Å) | | Cite: | Unveiling the Binding Modes of the Crystallophore, a Terbium-based Nucleating and Phasing Molecular Agent for Protein Crystallography.
Chemistry, 24, 2018
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1G4W
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1OIU
 | | Structure of human Thr160-phospho CDK2/cyclin A complexed with a 6-cyclohexylmethyloxy-2-anilino-purine inhibitor | | Descriptor: | 3-(6-CYCLOHEXYLMETHOXY-9H-PURIN-2-YLAMINO)-BENZENESULFONAMIDE, CELL DIVISION PROTEIN KINASE 2, CYCLIN A2, ... | | Authors: | Pratt, D.J, Endicott, J.A, Noble, M.E.M. | | Deposit date: | 2003-06-26 | | Release date: | 2004-07-13 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | N2-Substituted O6-Cyclohexylmethylguanine Derivatives: Potent Inhibitors of Cyclin-Dependent Kinases 1 and 2
J.Med.Chem., 47, 2004
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6NB3
 | | MERS-CoV complex with human neutralizing LCA60 antibody Fab fragment (state 1) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, LCA60 heavy chain, ... | | Authors: | Walls, A.C, Xiong, X, Park, Y.J, Tortorici, M.A, Snijder, S, Quispe, J, Cameroni, E, Gopal, R, Mian, D, Lanzavecchia, A, Zambon, M, Rey, F.A, Corti, D, Veesler, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID) | | Deposit date: | 2018-12-06 | | Release date: | 2019-02-06 | | Last modified: | 2020-07-29 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Unexpected Receptor Functional Mimicry Elucidates Activation of Coronavirus Fusion.
Cell, 176, 2019
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4R1S
 | | Crystal structure of Petunia hydrida cinnamoyl-CoA reductase | | Descriptor: | NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, cinnamoyl CoA reductase | | Authors: | Noel, J.P, Louie, G.V, Bowman, M.E, Bomati, E.K. | | Deposit date: | 2014-08-07 | | Release date: | 2014-10-01 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structural Studies of Cinnamoyl-CoA Reductase and Cinnamyl-Alcohol Dehydrogenase, Key Enzymes of Monolignol Biosynthesis.
Plant Cell, 26, 2014
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5KAB
 | | Protein Tyrosine Phosphatase 1B Delta helix 7, P185G mutant in complex with TCS401, open state | | Descriptor: | 2-(OXALYL-AMINO)-4,5,6,7-TETRAHYDRO-THIENO[2,3-C]PYRIDINE-3-CARBOXYLIC ACID, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ... | | Authors: | Choy, M.S, Machado, L.E.S.F, Peti, W, Page, R. | | Deposit date: | 2016-06-01 | | Release date: | 2017-03-08 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.968 Å) | | Cite: | Conformational Rigidity and Protein Dynamics at Distinct Timescales Regulate PTP1B Activity and Allostery.
Mol. Cell, 65, 2017
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7QLH
 | | Crystal structure of S-layer protein SlpA from Lactobacillus amylovorus, domain I (aa 48-213) | | Descriptor: | PHOSPHATE ION, S-layer, SODIUM ION | | Authors: | Grininger, C, Sagmeister, T, Eder, E, Vejzovic, D, Pavkov-Keller, T. | | Deposit date: | 2021-12-20 | | Release date: | 2022-12-28 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | The molecular architecture of Lactobacillus S-layer: Assembly and attachment to teichoic acids.
Proc.Natl.Acad.Sci.USA, 121, 2024
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6NID
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3ZI5
 | | Crystal STRUCTURE OF RESTRICTION ENDONUCLEASE BFII C-TERMINAL RECOGNITION DOMAIN IN COMPLEX WITH COGNATE DNA | | Descriptor: | 5'-D(*AP*GP*CP*AP*CP*TP*GP*GP*GP*TP*CP*GP)-3', 5'-D(*CP*GP*AP*CP*CP*CP*AP*GP*TP*GP*CP*TP)-3', RESTRICTION ENDONUCLEASE | | Authors: | Golovenko, D, Manakova, E, Zakrys, L, Zaremba, M, Sasnauskas, G, Grazulis, S, Siksnys, V. | | Deposit date: | 2013-01-03 | | Release date: | 2014-01-15 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Structural Insight Into the Specificity of the B3 DNA-Binding Domains Provided by the Co-Crystal Structure of the C-Terminal Fragment of Bfii Restriction Enzyme
Nucleic Acids Res., 42, 2014
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6NJM
 | | Architecture and subunit arrangement of native AMPA receptors | | Descriptor: | 15F1 Fab heavy chain, 15F1 Fab light chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Gouaux, E, Zhao, Y. | | Deposit date: | 2019-01-03 | | Release date: | 2019-04-24 | | Last modified: | 2021-05-05 | | Method: | ELECTRON MICROSCOPY (6.5 Å) | | Cite: | Architecture and subunit arrangement of native AMPA receptors elucidated by cryo-EM.
Science, 364, 2019
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7QNM
 | | Crystallization and structural analyses of ZgHAD, a L-2-haloacid dehalogenase from the marine Flavobacterium Zobellia galactanivorans | | Descriptor: | (S)-2-haloacid dehalogenase, PHOSPHATE ION | | Authors: | Grigorian, E, Roret, T, Leblanc, C, Delage, L, Czjzek, M. | | Deposit date: | 2021-12-21 | | Release date: | 2022-12-21 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.73 Å) | | Cite: | X-ray structure and mechanism of ZgHAD, a l-2-haloacid dehalogenase from the marine Flavobacterium Zobellia galactanivorans.
Protein Sci., 32, 2023
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6FQB
 | | MurT/GatD peptidoglycan amidotransferase complex from Streptococcus pneumoniae R6 | | Descriptor: | Cobyric acid synthase, GLUTAMINE, Mur ligase family protein | | Authors: | Morlot, C, Contreras-Martel, C, Leisico, F, Straume, D, Peters, K, Hegnar, O.A, Simon, N, Villard, A.M, Breukink, E, Gravier-Pelletier, C, Le Corre, L, Vollmer, W, Pietrancosta, N, Havarstein, L.S, Zapun, A. | | Deposit date: | 2018-02-13 | | Release date: | 2018-08-22 | | Last modified: | 2018-11-07 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structure of the essential peptidoglycan amidotransferase MurT/GatD complex from Streptococcus pneumoniae.
Nat Commun, 9, 2018
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6NET
 | | FAD-dependent monooxygenase TropB from T. stipitatus substrate complex | | Descriptor: | 2,4-dihydroxy-3,6-dimethylbenzaldehyde, CHLORIDE ION, FAD-dependent monooxygenase tropB, ... | | Authors: | Rodriguez Benitez, A, Tweedy, S.E, Baker Dockrey, S.A, Lukowski, A.L, Wymore, T, Khare, D, Brooks, C.L, Palfey, B.A, Smith, J.L, Narayan, A.R.H. | | Deposit date: | 2018-12-18 | | Release date: | 2019-08-14 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Structural basis for selectivity in flavin-dependent monooxygenase-catalyzed oxidative dearomatization.
Acs Catalysis, 9, 2019
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7QUX
 | | Crystal structure of P7C8 bound to CK2alpha | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, CARBAMIC ACID, Casein kinase II subunit alpha, ... | | Authors: | Atkinson, E, Iegre, J, Brear, P, Baker, D, Sore, H, Hyvonen, M, Spring, D. | | Deposit date: | 2022-01-19 | | Release date: | 2022-12-28 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.48 Å) | | Cite: | Development of small cyclic peptides targeting the CK2 alpha / beta interface.
Chem.Commun.(Camb.), 58, 2022
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6Q0W
 | | Structure of DDB1-DDA1-DCAF15 complex bound to Indisulam and RBM39 | | Descriptor: | DDB1- and CUL4-associated factor 15, DET1- and DDB1-associated protein 1, DNA damage-binding protein 1, ... | | Authors: | Faust, T, Yoon, H, Nowak, R.P, Donovan, K.A, Li, Z, Cai, Q, Eleuteri, N.A, Zhang, T, Gray, N.S, Fischer, E.S. | | Deposit date: | 2019-08-02 | | Release date: | 2019-11-13 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Structural complementarity facilitates E7820-mediated degradation of RBM39 by DCAF15.
Nat.Chem.Biol., 16, 2020
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6PSU
 | | Escherichia coli RNA polymerase promoter unwinding intermediate (TRPi2) with TraR and rpsT P2 promoter | | Descriptor: | CHAPSO, DNA (85-MER), DNA-directed RNA polymerase subunit alpha, ... | | Authors: | Chen, J, Chiu, C.E, Campbell, E.A, Darst, S.A. | | Deposit date: | 2019-07-13 | | Release date: | 2020-03-25 | | Last modified: | 2024-03-20 | | Method: | ELECTRON MICROSCOPY (3.9 Å) | | Cite: | Stepwise Promoter Melting by Bacterial RNA Polymerase.
Mol.Cell, 78, 2020
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6GAL
 | | Structure of fully reduced Hydrogenase (Hyd-1) variant E28Q collected at pH 10 | | Descriptor: | 3-CYCLOHEXYL-1-PROPYLSULFONIC ACID, CHLORIDE ION, FE3-S4 CLUSTER, ... | | Authors: | Carr, S.B, Armstrong, F.A, Evans, R.M. | | Deposit date: | 2018-04-11 | | Release date: | 2019-02-27 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | Mechanistic Exploitation of a Self-Repairing, Blocked Proton Transfer Pathway in an O2-Tolerant [NiFe]-Hydrogenase.
J. Am. Chem. Soc., 140, 2018
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8ED6
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8EDA
 | | An alternating AT dodecamer benzimidazole (DB1476) complex | | Descriptor: | 4,4'-(1H-benzimidazole-2,6-diyl)di(benzene-1-carboximidamide), DNA (5'-D(*CP*GP*CP*GP*AP*TP*AP*TP*CP*GP*CP*G)-3'), MAGNESIUM ION | | Authors: | Ogbonna, E.N, Wilson, W.D. | | Deposit date: | 2022-09-03 | | Release date: | 2023-02-22 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.63 Å) | | Cite: | X-ray Structure Characterization of the Selective Recognition of AT Base Pair Sequences.
Acs Bio Med Chem Au, 3, 2023
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