6Y4P
 
 | | Calmodulin N53I variant bound to cardiac ryanodine receptor (RyR2) calmodulin binding domain | | Descriptor: | CALCIUM ION, Calmodulin-1, Ryanodine receptor 2 | | Authors: | Lau, K, Nielsen, L.H, Holt, C, Brohus, M, Sorensen, A.B, Larsen, K.T, Sommer, C, Van Petegem, F, Overgaard, M.T, Wimmer, R. | | Deposit date: | 2020-02-21 | | Release date: | 2020-04-29 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.13325572 Å) | | Cite: | The arrhythmogenic N53I variant subtly changes the structure and dynamics in the calmodulin N-terminal domain, altering its interaction with the cardiac ryanodine receptor.
J.Biol.Chem., 295, 2020
|
|
6OHY
 | | Chimpanzee SIV Env trimeric ectodomain. | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Pallesen, J, Andrabi, R, de Val, N, Burton, D.R, Ward, A.B. | | Deposit date: | 2019-04-08 | | Release date: | 2019-06-05 | | Last modified: | 2020-07-29 | | Method: | ELECTRON MICROSCOPY (4.1 Å) | | Cite: | The Chimpanzee SIV Envelope Trimer: Structure and Deployment as an HIV Vaccine Template.
Cell Rep, 27, 2019
|
|
6OLA
 | | Structure of the PCV2d virus-like particle | | Descriptor: | Capsid protein, DNA (5'-D(P*CP*CP*GP*G)-3') | | Authors: | Khayat, R, Wen, K, Alimova, A, Galarza, J, Gottlieb, P. | | Deposit date: | 2019-04-16 | | Release date: | 2019-09-25 | | Last modified: | 2024-03-20 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Structural characterization of the PCV2d virus-like particle at 3.3 angstrom resolution reveals differences to PCV2a and PCV2b capsids, a tetranucleotide, and an N-terminus near the icosahedral 3-fold axes.
Virology, 537, 2019
|
|
8CX9
 | | Structure of the SARS-COV2 PLpro (C111S) in complex with a dimeric Ubv that inhibits activity by an unusual allosteric mechanism | | Descriptor: | BROMIDE ION, CHLORIDE ION, Papain-like protease nsp3, ... | | Authors: | Singer, A.U, Slater, C.L, Patel, A, Russel, R, Mark, B.L, Sidhu, S.S. | | Deposit date: | 2022-05-20 | | Release date: | 2023-01-25 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (3.5 Å) | | Cite: | Ubiquitin variants potently inhibit SARS-CoV-2 PLpro and viral replication via a novel site distal to the protease active site.
Plos Pathog., 18, 2022
|
|
6Y8X
 | |
6O8Y
 | |
6Y2G
 | | Crystal structure (orthorhombic form) of the complex resulting from the reaction between SARS-CoV-2 (2019-nCoV) main protease and tert-butyl (1-((S)-1-(((S)-4-(benzylamino)-3,4-dioxo-1-((S)-2-oxopyrrolidin-3-yl)butan-2-yl)amino)-3-cyclopropyl-1-oxopropan-2-yl)-2-oxo-1,2-dihydropyridin-3-yl)carbamate (alpha-ketoamide 13b) | | Descriptor: | 3C-like proteinase nsp5, ~{tert}-butyl ~{N}-[1-[(2~{S})-3-cyclopropyl-1-oxidanylidene-1-[[(2~{S},3~{R})-3-oxidanyl-4-oxidanylidene-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]-4-[(phenylmethyl)amino]butan-2-yl]amino]propan-2-yl]-2-oxidanylidene-pyridin-3-yl]carbamate | | Authors: | Zhang, L, Lin, D, Sun, X, Hilgenfeld, R. | | Deposit date: | 2020-02-15 | | Release date: | 2020-03-04 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal structure of SARS-CoV-2 main protease provides a basis for design of improved alpha-ketoamide inhibitors.
Science, 368, 2020
|
|
6ONF
 | | Crystal structure of HIV-1 LM/HT Clade A/E CRF01 gp120 core in complex with (S)-MCG-III-188-A02. | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, clade A/E 93TH057 HIV-1 gp120 core, ... | | Authors: | Tolbert, W.D, Sherburn, R, Pazgier, M. | | Deposit date: | 2019-04-22 | | Release date: | 2019-10-23 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.842 Å) | | Cite: | A New Family of Small-Molecule CD4-Mimetic Compounds Contacts Highly Conserved Aspartic Acid 368 of HIV-1 gp120 and Mediates Antibody-Dependent Cellular Cytotoxicity.
J.Virol., 93, 2019
|
|
6YB7
 | | SARS-CoV-2 main protease with unliganded active site (2019-nCoV, coronavirus disease 2019, COVID-19). | | Descriptor: | 3C-like proteinase, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE | | Authors: | Owen, C.D, Lukacik, P, Strain-Damerell, C.M, Douangamath, A, Powell, A.J, Fearon, D, Brandao-Neto, J, Crawshaw, A.D, Aragao, D, Williams, M, Flaig, R, Hall, D.R, McAuley, K.E, Mazzorana, M, Stuart, D.I, von Delft, F, Walsh, M.A. | | Deposit date: | 2020-03-16 | | Release date: | 2020-03-25 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | COVID-19 main protease with unliganded active site
To Be Published
|
|
6OSU
 | | Crystal Structure of the D-alanyl-D-alanine carboxypeptidase DacD from Francisella tularensis | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, D-alanyl-D-alanine carboxypeptidase (Penicillin binding protein) family protein | | Authors: | Kim, Y, Stogios, P, Skarina, T, Di, R, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2019-05-02 | | Release date: | 2019-05-15 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.44 Å) | | Cite: | Crystal Structure of the D-alanyl-D-alanine carboxypeptidase DacD from Francisella tularensis
To Be Published
|
|
6OTI
 | |
6OTM
 | |
6OTP
 | |
8HPA
 | | Monkeypox virus DNA replication holoenzyme F8, A22 and E4 complex in a DNA binding form | | Descriptor: | DNA (5'-D(*CP*GP*AP*TP*CP*CP*TP*TP*CP*CP*CP*CP*TP*AP*C)-3'), DNA (5'-D(P*AP*TP*GP*GP*TP*AP*GP*GP*GP*GP*AP*AP*GP*GP*AP*TP*CP*G)-3'), DNA polymerase, ... | | Authors: | Xu, Y, Wu, Y, Zhang, Y, Fan, R, Yang, Y, Li, D, Yang, B, Zhang, Z, Dong, C. | | Deposit date: | 2022-12-12 | | Release date: | 2024-01-31 | | Last modified: | 2024-09-18 | | Method: | ELECTRON MICROSCOPY (3.01 Å) | | Cite: | Cryo-EM structures of human monkeypox viral replication complexes with and without DNA duplex.
Cell Res., 33, 2023
|
|
6OUI
 | |
6Y0S
 | | X-ray structure of Lactobacillus brevis alcohol dehydrogenase mutant T102E | | Descriptor: | MAGNESIUM ION, R-specific alcohol dehydrogenase | | Authors: | Hermann, J, Bischoff, D, Janowski, R, Niessing, D, Grob, P, Hekmat, D, Weuster-Botz, D. | | Deposit date: | 2020-02-10 | | Release date: | 2020-02-19 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.44 Å) | | Cite: | Crystal Contact Engineering Enables Efficient Capture and Purification of an Oxidoreductase by Technical Crystallization.
Biotechnol J, 15, 2020
|
|
6Y1C
 | | X-ray structure of Lactobacillus brevis alcohol dehydrogenase mutant D54F | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Hermann, J, Bischoff, D, Janowski, R, Niessing, D, Grob, P, Hekmat, D, Weuster-Botz, D. | | Deposit date: | 2020-02-11 | | Release date: | 2020-02-19 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.41 Å) | | Cite: | Controlling Protein Crystallization by Free Energy Guided Design of Interactions at Crystal Contacts
Crystals, 11, 2021
|
|
6Y31
 | | NG domain of human SRP54 T117 deletion mutant | | Descriptor: | Signal recognition particle 54 kDa protein | | Authors: | Juaire, K.D, Lapouge, K, Becker, M.M.M, Kotova, I, Haas, M, Carapito, R, Wild, K, Bahram, S, Sinning, I. | | Deposit date: | 2020-02-17 | | Release date: | 2020-09-23 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (4.001 Å) | | Cite: | Structural and Functional Impact of SRP54 Mutations Causing Severe Congenital Neutropenia.
Structure, 29, 2021
|
|
6OXM
 | |
6Y5B
 | | 5-HT3A receptor in Salipro (apo, asymmetric) | | Descriptor: | 5-hydroxytryptamine receptor 3A | | Authors: | Zhang, Y, Dijkman, P.M, Zou, R, Zandl-Lang, M, Sanchez, R.M, Eckhardt-Strelau, L, Koefeler, H, Vogel, H, Yuan, S, Kudryashev, M. | | Deposit date: | 2020-02-25 | | Release date: | 2020-12-23 | | Last modified: | 2021-03-03 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Asymmetric opening of the homopentameric 5-HT 3A serotonin receptor in lipid bilayers.
Nat Commun, 12, 2021
|
|
6OXT
 | | HIV-1 Protease NL4-3 WT in Complex with LR-84 | | Descriptor: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-3-hydroxy-4-{({4-[(1S)-1-hydroxyethyl]phenyl}sulfonyl)[(2S)-2-methylbutyl]amino}-1-phenylbutan-2-yl]carbamate, Protease NL4-3, SULFATE ION | | Authors: | Lockbaum, G.J, Rusere, L.N, Lee, S.K, Henes, M, Kosovrasti, K, Spielvogel, E, Nalivaika, E.A, Swanstrom, R, KurtYilmaz, N, Schiffer, C.A, Ali, A. | | Deposit date: | 2019-05-14 | | Release date: | 2019-08-21 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.861 Å) | | Cite: | HIV-1 Protease Inhibitors Incorporating Stereochemically Defined P2' Ligands To Optimize Hydrogen Bonding in the Substrate Envelope.
J.Med.Chem., 62, 2019
|
|
6OY0
 | | HIV-1 Protease NL4-3 WT in Complex with LR2-21 | | Descriptor: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-4-{({4-[(1S)-1,2-dihydroxyethyl]phenyl}sulfonyl)[(2S)-2-methylbutyl]amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate, Protease NL4-3, SULFATE ION | | Authors: | Lockbaum, G.J, Rusere, L.N, Lee, S.K, Henes, M, Kosovrasti, K, Spielvogel, E, Nalivaika, E.A, Swanstrom, R, KurtYilmaz, N, Schiffer, C.A, Ali, A. | | Deposit date: | 2019-05-14 | | Release date: | 2019-08-21 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | HIV-1 Protease Inhibitors Incorporating Stereochemically Defined P2' Ligands To Optimize Hydrogen Bonding in the Substrate Envelope.
J.Med.Chem., 62, 2019
|
|
6IHB
 | | Adeno-Associated Virus 2 in complex with AAVR | | Descriptor: | Capsid protein VP1, Dyslexia-associated protein KIAA0319-like protein | | Authors: | Lou, Z.Y, Zhang, R. | | Deposit date: | 2018-09-29 | | Release date: | 2019-03-20 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (2.84 Å) | | Cite: | Adeno-associated virus 2 bound to its cellular receptor AAVR.
Nat Microbiol, 4, 2019
|
|
6OMX
 | |
6Y93
 | | Crystal structure of the DNA-binding domain of the Nucleoid Occlusion Factor (Noc) complexed to the Noc-binding site (NBS) | | Descriptor: | Noc Binding Site (NBS), Nucleoid occlusion protein | | Authors: | Jalal, A.S.B, Tran, N.T, Stevenson, C.E.M, Chan, E, Lo, R, Tan, X, Noy, A, Lawson, D.M, Le, T.B.K. | | Deposit date: | 2020-03-06 | | Release date: | 2020-08-05 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.23 Å) | | Cite: | Diversification of DNA-Binding Specificity by Permissive and Specificity-Switching Mutations in the ParB/Noc Protein Family.
Cell Rep, 32, 2020
|
|
