7APM
 
 | | tRNA-guanine transglycosylase H319C mutant spin-labeled with MTSL. | | Descriptor: | CHLORIDE ION, GLYCEROL, Queuine tRNA-ribosyltransferase, ... | | Authors: | Nguyen, D, Heine, A, Klebe, G. | | Deposit date: | 2020-10-18 | | Release date: | 2020-10-28 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.66 Å) | | Cite: | Unraveling a Ligand-Induced Twist of a Homodimeric Enzyme by Pulsed Electron-Electron Double Resonance.
Angew.Chem.Int.Ed.Engl., 60, 2021
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6P93
 | | Human APE1 K98A AP-endonuclease product complex | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Whitaker, A.W, Stark, W.J, Freudenthal, B.D. | | Deposit date: | 2019-06-09 | | Release date: | 2020-01-01 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Functions of the major abasic endonuclease (APE1) in cell viability and genotoxin resistance.
Mutagenesis, 35, 2020
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6VGC
 | | Crystal Structures of FLAP bound to DG-031 | | Descriptor: | (2R)-cyclopentyl{4-[(quinolin-2-yl)methoxy]phenyl}acetic acid, 5-lipoxygenase-activating protein, CALCIUM ION, ... | | Authors: | Ho, J.D, Lee, M.R, Rauch, C.T, Aznavour, K, Park, J.S, Luz, J.G, Antonysamy, S, Condon, B, Maletic, M, Zhang, A, Hickey, M.J, Hughes, N.E, Chandrasekhar, S, Sloan, A.V, Gooding, K, Harvey, A, Yu, X.P, Kahl, S.D, Norman, B.H. | | Deposit date: | 2020-01-07 | | Release date: | 2020-12-02 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.37 Å) | | Cite: | Structure-based, multi-targeted drug discovery approach to eicosanoid inhibition: Dual inhibitors of mPGES-1 and 5-lipoxygenase activating protein (FLAP).
Biochim Biophys Acta Gen Subj, 1865, 2020
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6VBA
 | | Structure of human Uracil DNA Glycosylase (UDG) bound to Aurintricarboxylic acid (ATA) | | Descriptor: | 3,3'-[(3-carboxy-4-oxocyclohexa-2,5-dien-1-ylidene)methylene]bis(6-hydroxybenzoic acid), Uracil-DNA glycosylase | | Authors: | Moiani, D, Arvai, A.S, Tainer, J.A. | | Deposit date: | 2019-12-18 | | Release date: | 2021-03-03 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | An effective human uracil-DNA glycosylase inhibitor targets the open pre-catalytic active site conformation.
Prog.Biophys.Mol.Biol., 163, 2021
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7PUA
 | | Middle assembly intermediate of the Trypanosoma brucei mitoribosomal small subunit | | Descriptor: | 30S Ribosomal protein S17, putative, 30S ribosomal protein S8, ... | | Authors: | Lenarcic, T, Leibundgut, M, Saurer, M, Ramrath, D.J.F, Fluegel, T, Boehringer, D, Ban, N. | | Deposit date: | 2021-09-29 | | Release date: | 2022-03-02 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | Mitoribosomal small subunit maturation involves formation of initiation-like complexes.
Proc.Natl.Acad.Sci.USA, 119, 2022
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8VSH
 | | Crystal structure of Shewanella benthica Group 1 truncated hemoglobin C51S C71S variant with trans heme D | | Descriptor: | Group 1 truncated hemoglobin, {3-[(2R,5'R)-9',14'-diethenyl-5'-hydroxy-5',10',15',19'-tetramethyl-5-oxo-4,5-dihydro-3H-spiro[furan-2,4'-[21,22,23,24]tetraazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa[1,3(24),6,8,10,12,14,16(22),17,19]decaen]-20'-yl-kappa~4~N~21'~,N~22'~,N~23'~,N~24'~]propanoato}iron | | Authors: | Lecomte, J.T.J, Martinez, J.E, Schlessman, J.L, Schultz, T.D, Siegler, M.A. | | Deposit date: | 2024-01-24 | | Release date: | 2024-04-03 | | Last modified: | 2024-07-17 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Heme d formation in a Shewanella benthica hemoglobin.
J.Inorg.Biochem., 259, 2024
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8W3A
 | | Crystal structure of Shewanella benthica Group 1 truncated hemoglobin C51S C71S variant with trans heme D | | Descriptor: | Group 1 truncated hemoglobin, PROTOPORPHYRIN IX CONTAINING FE, {3-[(2R,5'R)-9',14'-diethenyl-5'-hydroxy-5',10',15',19'-tetramethyl-5-oxo-4,5-dihydro-3H-spiro[furan-2,4'-[21,22,23,24]tetraazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa[1,3(24),6,8,10,12,14,16(22),17,19]decaen]-20'-yl-kappa~4~N~21'~,N~22'~,N~23'~,N~24'~]propanoato}iron | | Authors: | Lecomte, J.T.J, Schlessman, J.L, Schultz, T.D, Siegler, M.A. | | Deposit date: | 2024-02-22 | | Release date: | 2024-04-03 | | Last modified: | 2024-07-17 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Heme d formation in a Shewanella benthica hemoglobin.
J.Inorg.Biochem., 259, 2024
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6PLF
 | | Crystal structure of human PHGDH complexed with Compound 1 | | Descriptor: | 1,2-ETHANEDIOL, 4-{(1S)-1-[(5-chloro-6-{[(5S)-2-oxo-1,3-oxazolidin-5-yl]methoxy}-1H-indole-2-carbonyl)amino]-2-hydroxyethyl}benzoic acid, D-3-phosphoglycerate dehydrogenase | | Authors: | Olland, A, Lakshminarasimhan, D, White, A, Suto, R.K. | | Deposit date: | 2019-06-30 | | Release date: | 2019-07-24 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Inhibition of 3-phosphoglycerate dehydrogenase (PHGDH) by indole amides abrogates de novo serine synthesis in cancer cells.
Bioorg.Med.Chem.Lett., 29, 2019
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4R12
 | | Crystal structure of the gamma-secretase component Nicastrin | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | Authors: | Xie, T, Yan, C, Zhou, R, Zhao, Y, Sun, L, Yang, G, Lu, P, Ma, D, Shi, Y. | | Deposit date: | 2014-08-03 | | Release date: | 2014-09-17 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Crystal structure of the gamma-secretase component nicastrin.
Proc.Natl.Acad.Sci.USA, 111, 2014
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8R9W
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6Y5J
 | | Dilated form 2 of X-31 Influenza Haemagglutinin at pH 5 (State III) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, X-31 Influenza Haemagglutinin HA1, ... | | Authors: | Benton, D.J, Rosenthal, P.B. | | Deposit date: | 2020-02-25 | | Release date: | 2020-06-10 | | Last modified: | 2020-07-29 | | Method: | ELECTRON MICROSCOPY (5.6 Å) | | Cite: | Structural transitions in influenza haemagglutinin at membrane fusion pH.
Nature, 583, 2020
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7B1G
 | | TRPC4 in complex with Calmodulin | | Descriptor: | (2R)-3-(phosphonooxy)propane-1,2-diyl dihexanoate, CALCIUM ION, Calmodulin-1, ... | | Authors: | Vinayagam, D, Quentin, D, Sistel, O, Merino, F, Stabrin, M, Hofnagel, O, Ledeboer, M.W, Malojcic, G, Raunser, S. | | Deposit date: | 2020-11-24 | | Release date: | 2020-12-09 | | Last modified: | 2024-05-01 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | Structural basis of TRPC4 regulation by calmodulin and pharmacological agents.
Elife, 9, 2020
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8F5Y
 | | Crystal structure of pregnane X receptor ligand binding domain complexed with JQ1 | | Descriptor: | (6S)-6-(2-tert-butoxy-2-oxoethyl)-4-(4-chlorophenyl)-2,3,9-trimethyl-6,7-dihydrothieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-10-ium, Nuclear receptor coactivator 1, Nuclear receptor subfamily 1 group I member 2 | | Authors: | Huber, A.D, Poudel, S, Seetharaman, J, Miller, D.J, Chen, T. | | Deposit date: | 2022-11-15 | | Release date: | 2024-02-21 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | A bromodomain-independent mechanism of gene regulation by the BET inhibitor JQ1: direct activation of nuclear receptor PXR.
Nucleic Acids Res., 52, 2024
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8ELC
 | | Human JNK2 bound to covalent inhibitor YL2056 | | Descriptor: | 4-(dimethylamino)-N-{4-[(3S)-3-({4-[(8R)-2-phenylpyrazolo[1,5-a]pyridin-3-yl]pyrimidin-2-yl}amino)pyrrolidine-1-carbonyl]phenyl}butanamide, Mitogen-activated protein kinase 9 | | Authors: | Li, L, Gurbani, D, Westover, K.D. | | Deposit date: | 2022-09-23 | | Release date: | 2023-06-28 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.072 Å) | | Cite: | Development of a Covalent Inhibitor of c-Jun N-Terminal Protein Kinase (JNK) 2/3 with Selectivity over JNK1.
J.Med.Chem., 66, 2023
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7APL
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7B4Z
 | | Synthetic DNA duplex dodecamer | | Descriptor: | DNA (5'-D(*CP*AP*CP*GP*CP*CP*GP*CP*TP*G)-3'), DNA (5'-D(*CP*AP*GP*CP*GP*GP*CP*GP*TP*G)-3') | | Authors: | Lomzov, A.A, Shernuykov, A.V, Sviridov, E.A, Shevelev, G.Y, Bagryanskaya, E.G, Pyshnyi, D.V. | | Deposit date: | 2020-12-03 | | Release date: | 2020-12-16 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Study of a DNA Duplex by Nuclear Magnetic Resonance and Molecular Dynamics Simulations. Validation of Pulsed Dipolar Electron Paramagnetic Resonance Distance Measurements Using Triarylmethyl-Based Spin Labels.
J Phys Chem B, 120, 2016
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7AK5
 | | Cryo-EM structure of respiratory complex I in the deactive state from Mus musculus at 3.2 A | | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE, ADENOSINE-5'-TRIPHOSPHATE, ... | | Authors: | Yin, Z, Bridges, H.R, Grba, D, Hirst, J. | | Deposit date: | 2020-09-29 | | Release date: | 2021-02-03 | | Last modified: | 2021-02-10 | | Method: | ELECTRON MICROSCOPY (3.17 Å) | | Cite: | Structural basis for a complex I mutation that blocks pathological ROS production.
Nat Commun, 12, 2021
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7NEG
 | | Crystal structure of the N501Y mutant receptor binding domain of SARS-CoV-2 Spike glycoprotein in complex with COVOX-269 Fab | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Antibody COVOX-269 Fab heavy chain, Antibody COVOX-269 Fab light chain, ... | | Authors: | Zhou, D, Ren, J, Stuart, D. | | Deposit date: | 2021-02-04 | | Release date: | 2021-03-03 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.19 Å) | | Cite: | Reduced neutralization of SARS-CoV-2 B.1.1.7 variant by convalescent and vaccine sera.
Cell, 184, 2021
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8WN8
 | | CryoEM structure of ZIKV rsNS1 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Non-structural protein 1 | | Authors: | Chew, B.L.A, Luo, D. | | Deposit date: | 2023-10-05 | | Release date: | 2024-05-08 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Structural basis of Zika virus NS1 multimerization and human antibody recognition
Npj Viruses, 2, 2024
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8VUE
 | | L5A7 Fab bound to Indonesia2005 Hemagglutinin | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin HA1 chain, Hemagglutinin HA2 chain, ... | | Authors: | Olia, A.S, Gorman, J, Kwong, P.D. | | Deposit date: | 2024-01-29 | | Release date: | 2024-05-22 | | Last modified: | 2024-06-26 | | Method: | ELECTRON MICROSCOPY (3.59 Å) | | Cite: | Anti-idiotype isolation of a broad and potent influenza A virus-neutralizing human antibody.
Front Immunol, 15, 2024
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7ND3
 | | EM structure of SARS-CoV-2 Spike glycoprotein in complex with COVOX-40 Fab | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, COVOX-40 heavy chain, ... | | Authors: | Duyvesteyn, H.M.E, Zhao, Y, Ren, J, Stuart, D. | | Deposit date: | 2021-01-30 | | Release date: | 2021-03-03 | | Last modified: | 2023-11-29 | | Method: | ELECTRON MICROSCOPY (3.7 Å) | | Cite: | The antigenic anatomy of SARS-CoV-2 receptor binding domain.
Cell, 184, 2021
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7ND8
 | | EM structure of SARS-CoV-2 Spike glycoprotein in complex with COVOX-384 Fab | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, COVOX-384 Fab heavy chain, ... | | Authors: | Duyvesteyn, H.M.E, Zhao, Y, Ren, J, Stuart, D. | | Deposit date: | 2021-01-30 | | Release date: | 2021-03-03 | | Last modified: | 2021-04-28 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | The antigenic anatomy of SARS-CoV-2 receptor binding domain.
Cell, 184, 2021
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7NDC
 | | EM structure of SARS-CoV-2 Spike glycoprotein (all RBD down) in complex with COVOX-159 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, COVOX-159 Fab light chain, ... | | Authors: | Duyvesteyn, H.M.E, Zhao, Y, Ren, J, Stuart, D. | | Deposit date: | 2021-01-30 | | Release date: | 2021-03-03 | | Last modified: | 2021-04-28 | | Method: | ELECTRON MICROSCOPY (4.1 Å) | | Cite: | The antigenic anatomy of SARS-CoV-2 receptor binding domain.
Cell, 184, 2021
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7NEH
 | | Crystal structure of the receptor binding domain of SARS-CoV-2 Spike glycoprotein in complex with COVOX-269 Fab | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ... | | Authors: | Zhou, D, Ren, J, Stuart, D. | | Deposit date: | 2021-02-04 | | Release date: | 2021-03-03 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.77 Å) | | Cite: | Reduced neutralization of SARS-CoV-2 B.1.1.7 variant by convalescent and vaccine sera.
Cell, 184, 2021
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7PNP
 | | Human Angiogenin mutant-S28A | | Descriptor: | Angiogenin | | Authors: | Papaioannou, O.S.E, Leonidas, D.D. | | Deposit date: | 2021-09-07 | | Release date: | 2022-05-04 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural and Biochemical Characterization of the Human Angiogenin-Proliferating Cell Nuclear Antigen Interaction.
Biochemistry, 2023
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