8QXM
| Cryo-EM structure of tetrameric human SAMHD1 State III - Relaxed | Descriptor: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, ... | Authors: | Acton, O.J, Sheppard, D, Rosenthal, P.B, Taylor, I.A. | Deposit date: | 2023-10-24 | Release date: | 2024-05-15 | Last modified: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (2.94 Å) | Cite: | Platform-directed allostery and quaternary structure dynamics of SAMHD1 catalysis. Nat Commun, 15, 2024
|
|
7AZV
| |
6SRV
| Structure of the arginase-2-inhibitory human antigen-binding fragment Fab C0021144 | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ... | Authors: | Burschowsky, D, Addyman, A, Fiedler, S, Groves, M, Haynes, S, Seewooruthun, C, Carr, M. | Deposit date: | 2019-09-06 | Release date: | 2020-06-10 | Last modified: | 2020-09-16 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural and functional characterization of C0021158, a high-affinity monoclonal antibody that inhibits Arginase 2 function via a novel non-competitive mechanism of action. Mabs, 12
|
|
7RBJ
| Human DNA polymerase beta crosslinked complex, 30 s Ca to Mg exchange | Descriptor: | 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, 2-deoxy-3,5-di-O-phosphono-D-erythro-pentitol, DNA (5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*CP*C)-3'), ... | Authors: | Kumar, A. | Deposit date: | 2021-07-06 | Release date: | 2022-03-09 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.91 Å) | Cite: | Interlocking activities of DNA polymerase beta in the base excision repair pathway. Proc.Natl.Acad.Sci.USA, 119, 2022
|
|
5MAY
| STRUCTURE OF THE LECB LECTIN FROM PSEUDOMONAS AERUGINOSA STRAIN PA14 IN COMPLEX WITH 2-Thiophenesulfonamide-N-(beta-L-fucopyranosyl methyl) | Descriptor: | CALCIUM ION, Fucose-binding lectin PA-IIL, N-methyl-2-thiophenesulfonamide, ... | Authors: | Sommer, R, Imberty, A, Titz, A, Varrot, A. | Deposit date: | 2016-11-07 | Release date: | 2017-12-20 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Glycomimetic, Orally Bioavailable LecB Inhibitors Block Biofilm Formation of Pseudomonas aeruginosa. J. Am. Chem. Soc., 140, 2018
|
|
4Y54
| Endothiapepsin in complex with fragment 56 | Descriptor: | (2R)-(3-chlorophenyl)(hydroxy)ethanoic acid, 1,2-ETHANEDIOL, ACETATE ION, ... | Authors: | Radeva, N, Heine, A, Klebe, G. | Deposit date: | 2015-02-11 | Release date: | 2016-03-02 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.61 Å) | Cite: | Crystallographic Fragment Screening of an Entire Library To Be Published
|
|
6O85
| Electron cryo-microscopy of the eukaryotic translation initiation factor 2B bound to eukaryotic translation initiation factor 2 from Homo sapiens | Descriptor: | 2-(4-chloranylphenoxy)-~{N}-[4-[2-(4-chloranylphenoxy)ethanoylamino]cyclohexyl]ethanamide, Eukaryotic translation initiation factor 2 subunit 1, Eukaryotic translation initiation factor 2 subunit 3, ... | Authors: | Nguyen, H.C, Kenner, L.R, Frost, A.S. | Deposit date: | 2019-03-08 | Release date: | 2019-05-15 | Last modified: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (3.03 Å) | Cite: | eIF2B-catalyzed nucleotide exchange and phosphoregulation by the integrated stress response. Science, 364, 2019
|
|
7RBH
| Human DNA polymerase beta crosslinked ternary complex 2 | Descriptor: | 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, 2-deoxy-3,5-di-O-phosphono-D-erythro-pentitol, CALCIUM ION, ... | Authors: | Kumar, A. | Deposit date: | 2021-07-06 | Release date: | 2022-03-09 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Interlocking activities of DNA polymerase beta in the base excision repair pathway. Proc.Natl.Acad.Sci.USA, 119, 2022
|
|
7ASP
| |
8RJZ
| Crystal structure of SARS-CoV-2 main protease (MPro) in complex with the non-covalent inhibitor GUE-3801 (compound 80 in publication) | Descriptor: | (7~{S})-6-[2-[2,4-bis(chloranyl)phenoxy]ethanoyl]-14-fluoranyl-10-(iminomethyl)-9-methyl-7-(phenylmethyl)-2-oxa-6,9,10-triazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-8-one, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3C-like proteinase nsp5, ... | Authors: | Strater, N, Claff, T, Sylvester, K, Mueller, C.E, Guetschow, M, Useini, A. | Deposit date: | 2023-12-22 | Release date: | 2024-05-29 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Macrocyclic Azapeptide Nitriles: Structure-Based Discovery of Potent SARS-CoV-2 Main Protease Inhibitors as Antiviral Drugs. J.Med.Chem., 67, 2024
|
|
7RBL
| Human DNA polymerase beta crosslinked complex, 60 s Ca to Mg exchange | Descriptor: | 2-deoxy-3,5-di-O-phosphono-D-erythro-pentitol, DNA (5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*CP*C)-3'), DNA (5'-D(*GP*TP*CP*GP*G)-3'), ... | Authors: | Kumar, A. | Deposit date: | 2021-07-06 | Release date: | 2022-03-09 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Interlocking activities of DNA polymerase beta in the base excision repair pathway. Proc.Natl.Acad.Sci.USA, 119, 2022
|
|
6WE0
| Wheat dwarf virus Rep domain complexed with a single-stranded DNA 10-mer comprising the cleavage site | Descriptor: | DNA (5'-D(*TP*AP*AP*TP*AP*TP*TP*AP*CP*C)-3'), MANGANESE (II) ION, Replication-associated protein | Authors: | Tompkins, K, Litzau, L.A, Shi, K, Nelson, A, Evans III, R.L, Gordon, W.R. | Deposit date: | 2020-04-01 | Release date: | 2020-12-16 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Molecular underpinnings of ssDNA specificity by Rep HUH-endonucleases and implications for HUH-tag multiplexing and engineering. Nucleic Acids Res., 49, 2021
|
|
6NSY
| X-ray reduced Catalase 3 From N.Crassa in Cpd I state (0.263 MGy) | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, Catalase-3, ... | Authors: | Zarate-Romero, A, Rudino-Pinera, E, Stojanoff, V. | Deposit date: | 2019-01-27 | Release date: | 2019-05-01 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | X-ray driven reduction of Cpd I of Catalase-3 from N. crassa reveals differential sensitivity of active sites and formation of ferrous state. Arch.Biochem.Biophys., 666, 2019
|
|
7RBI
| Human DNA polymerase beta crosslinked complex, 20 s Ca to Mg exchange | Descriptor: | 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, 2-deoxy-3,5-di-O-phosphono-D-erythro-pentitol, DNA (5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*CP*C)-3'), ... | Authors: | Kumar, A. | Deposit date: | 2021-07-06 | Release date: | 2022-03-09 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Interlocking activities of DNA polymerase beta in the base excision repair pathway. Proc.Natl.Acad.Sci.USA, 119, 2022
|
|
5MEF
| Cyanothece lipoxygenase 2 (CspLOX2) variant - L304F | Descriptor: | Arachidonate 15-lipoxygenase, CHLORIDE ION, FE (III) ION, ... | Authors: | Newie, J, Neumann, P, Werner, M, Mata, R.A, Ficner, R, Feussner, I. | Deposit date: | 2016-11-14 | Release date: | 2017-05-31 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.357 Å) | Cite: | Lipoxygenase 2 from Cyanothece sp. controls dioxygen insertion by steric shielding and substrate fixation. Sci Rep, 7, 2017
|
|
8QXJ
| Cryo-EM structure of tetrameric human SAMHD1 with dApNHpp | Descriptor: | 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]adenosine, Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, FE (III) ION, ... | Authors: | Acton, O.J, Sheppard, D, Rosenthal, P.B, Taylor, I.A. | Deposit date: | 2023-10-24 | Release date: | 2024-05-15 | Last modified: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (2.65 Å) | Cite: | Platform-directed allostery and quaternary structure dynamics of SAMHD1 catalysis. Nat Commun, 15, 2024
|
|
6WEZ
| Crystal Structure of Broadly Neutralizing Antibody 3I14-D93N Mutant Bound to the Influenza A H3 Hemagglutinin | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Hemagglutinin, ... | Authors: | Harshbarger, W.D, Lockbaum, G.J, Deming, D.T, Attatippaholkun, N, Schiffer, C.A, Marasco, W.A. | Deposit date: | 2020-04-03 | Release date: | 2020-11-25 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (3.21 Å) | Cite: | Unique structural solution from a V H 3-30 antibody targeting the hemagglutinin stem of influenza A viruses. Nat Commun, 12, 2021
|
|
7RBO
| Human DNA polymerase beta crosslinked complex, 60 min Ca to Mg exchange | Descriptor: | 2-deoxy-3,5-di-O-phosphono-D-erythro-pentitol, DNA (5'-D(*CP*CP*GP*AP*CP*GP*GP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), DNA (5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*C)-3'), ... | Authors: | Kumar, A. | Deposit date: | 2021-07-06 | Release date: | 2022-03-09 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.96 Å) | Cite: | Interlocking activities of DNA polymerase beta in the base excision repair pathway. Proc.Natl.Acad.Sci.USA, 119, 2022
|
|
6WEL
| Structure of cGMP-unbound F403V/V407A mutant TAX-4 reconstituted in lipid nanodiscs | Descriptor: | 1,2-DILAUROYL-SN-GLYCERO-3-PHOSPHATE, 1-PALMITOYL-2-LINOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, Cyclic nucleotide-gated cation channel, ... | Authors: | Zheng, X, Fu, Z, Su, D, Zhang, Y, Li, M, Pan, Y, Li, H, Li, S, Grassucci, R.A, Ren, Z, Hu, Z, Li, X, Zhou, M, Li, G, Frank, J, Yang, J. | Deposit date: | 2020-04-02 | Release date: | 2020-06-03 | Last modified: | 2020-07-22 | Method: | ELECTRON MICROSCOPY (2.5 Å) | Cite: | Mechanism of ligand activation of a eukaryotic cyclic nucleotide-gated channel. Nat.Struct.Mol.Biol., 27, 2020
|
|
8VK2
| X-ray crystal structure of human IgE 4C8 Fab | Descriptor: | IgE 4C8 heavy chain, IgE 4C8 light chain | Authors: | Khatri, K, Ball, A, Smith, S.A, Champan, M.D, Pomes, A, Chruszcz, M. | Deposit date: | 2024-01-08 | Release date: | 2024-06-19 | Last modified: | 2024-08-21 | Method: | X-RAY DIFFRACTION (2.508 Å) | Cite: | Structural analysis of human IgE monoclonal antibody epitopes on dust mite allergen Der p 2. J.Allergy Clin.Immunol., 154, 2024
|
|
8RFN
| Human NOQ1 enzyme in its holo form by serial crystallography | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, FLAVIN-ADENINE DINUCLEOTIDE, NAD(P)H dehydrogenase [quinone] 1 | Authors: | Martin-Garcia, J.M, Grieco, A, Medina, M, Boneta, S, Pey, A.L. | Deposit date: | 2023-12-13 | Release date: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural dynamics and functional cooperativity of human NQO1 by ambient temperature serial crystallography and simulations. Protein Sci., 33, 2024
|
|
5MFD
| Designed armadillo repeat protein YIIIM''6AII in complex with pD_(KR)5 | Descriptor: | CALCIUM ION, Capsid decoration protein,pD_(KR)5, YIIIM''6AII | Authors: | Hansen, S, Kiefer, J, Madhurantakam, C, Mittl, P, Plueckthun, A. | Deposit date: | 2016-11-18 | Release date: | 2017-07-19 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structures of designed armadillo repeat proteins binding to peptides fused to globular domains. Protein Sci., 26, 2017
|
|
8R99
| A soakable crystal form of human CDK7 in complex with AMP-PNP | Descriptor: | Cyclin-dependent kinase 7, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER | Authors: | Mukherjee, M, Cleasby, A. | Deposit date: | 2023-11-30 | Release date: | 2024-05-29 | Last modified: | 2024-08-21 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | Protein engineering enables a soakable crystal form of human CDK7 primed for high-throughput crystallography and structure-based drug design. Structure, 32, 2024
|
|
8R9B
| A soakable crystal form of human CDK7 in complex with AMP-PNP | Descriptor: | Cyclin-dependent kinase 7, GLYCEROL, MAGNESIUM ION, ... | Authors: | Mukherjee, M, Cleasby, A. | Deposit date: | 2023-11-30 | Release date: | 2024-05-29 | Last modified: | 2024-08-21 | Method: | X-RAY DIFFRACTION (2.21 Å) | Cite: | Protein engineering enables a soakable crystal form of human CDK7 primed for high-throughput crystallography and structure-based drug design. Structure, 32, 2024
|
|
6SX5
| Full length Mutant Open-form Sodium Channel NavMs | Descriptor: | DODECAETHYLENE GLYCOL, HEGA-10, Ion transport protein, ... | Authors: | Sula, A, Hollingworth, D, Wallace, B.A. | Deposit date: | 2019-09-25 | Release date: | 2021-02-03 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | A tamoxifen receptor within a voltage-gated sodium channel. Mol.Cell, 81, 2021
|
|