7H9C
 
 | | Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z31721188 (CHIKV_MacB-x1421) | | Descriptor: | (3-hydroxyphenyl)(morpholin-4-yl)methanone, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ... | | Authors: | Aschenbrenner, J.C, Fairhead, M, Godoy, A.S, Balcomb, B.H, Capkin, E, Chandran, A.V, Dolci, I, Golding, M, Koekemoer, L, Lithgo, R.M, Marples, P.G, Ni, X, Oliva, G, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Xavier, M.-A.E, Fearon, D, von Delft, F. | | Deposit date: | 2024-04-26 | | Release date: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (1.41 Å) | | Cite: | Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain
To Be Published
|
|
7H6R
 | | Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z1154747269 (CHIKV_MacB-x0314) | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-(2-hydroxyethyl)pyrimidin-4(3H)-one, CHLORIDE ION, ... | | Authors: | Aschenbrenner, J.C, Fairhead, M, Godoy, A.S, Balcomb, B.H, Capkin, E, Chandran, A.V, Dolci, I, Golding, M, Koekemoer, L, Lithgo, R.M, Marples, P.G, Ni, X, Oliva, G, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Xavier, M.-A.E, Fearon, D, von Delft, F. | | Deposit date: | 2024-04-26 | | Release date: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (1.42 Å) | | Cite: | Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain
To Be Published
|
|
7H7A
 | | Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z26333434 (CHIKV_MacB-x0620) | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-(benzimidazol-1-ylmethyl)benzenecarbonitrile, CHLORIDE ION, ... | | Authors: | Aschenbrenner, J.C, Fairhead, M, Godoy, A.S, Balcomb, B.H, Capkin, E, Chandran, A.V, Dolci, I, Golding, M, Koekemoer, L, Lithgo, R.M, Marples, P.G, Ni, X, Oliva, G, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Xavier, M.-A.E, Fearon, D, von Delft, F. | | Deposit date: | 2024-04-26 | | Release date: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (1.36 Å) | | Cite: | Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain
To Be Published
|
|
7H7T
 | | Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z385370362 (CHIKV_MacB-x0969) | | Descriptor: | (2,3-dihydro-1-benzofuran-5-yl)methanol, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ... | | Authors: | Aschenbrenner, J.C, Fairhead, M, Godoy, A.S, Balcomb, B.H, Capkin, E, Chandran, A.V, Dolci, I, Golding, M, Koekemoer, L, Lithgo, R.M, Marples, P.G, Ni, X, Oliva, G, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Xavier, M.-A.E, Fearon, D, von Delft, F. | | Deposit date: | 2024-04-26 | | Release date: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (1.34 Å) | | Cite: | Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain
To Be Published
|
|
7H8A
 | | Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z3225843273 (CHIKV_MacB-x1139) | | Descriptor: | 1~{H}-pyrazol-5-ylmethanol, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ... | | Authors: | Aschenbrenner, J.C, Fairhead, M, Godoy, A.S, Balcomb, B.H, Capkin, E, Chandran, A.V, Dolci, I, Golding, M, Koekemoer, L, Lithgo, R.M, Marples, P.G, Ni, X, Oliva, G, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Xavier, M.-A.E, Fearon, D, von Delft, F. | | Deposit date: | 2024-04-26 | | Release date: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (1.38 Å) | | Cite: | Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain
To Be Published
|
|
7H8K
 | | Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z56791928 (CHIKV_MacB-x1203) | | Descriptor: | 1-methyl-1H-benzimidazol-2-amine, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ... | | Authors: | Aschenbrenner, J.C, Fairhead, M, Godoy, A.S, Balcomb, B.H, Capkin, E, Chandran, A.V, Dolci, I, Golding, M, Koekemoer, L, Lithgo, R.M, Marples, P.G, Ni, X, Oliva, G, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Xavier, M.-A.E, Fearon, D, von Delft, F. | | Deposit date: | 2024-04-26 | | Release date: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (1.54 Å) | | Cite: | Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain
To Be Published
|
|
7H90
 | | Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z1378432729 (CHIKV_MacB-x1337) | | Descriptor: | 1-benzofuran-2-sulfonamide, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ... | | Authors: | Aschenbrenner, J.C, Fairhead, M, Godoy, A.S, Balcomb, B.H, Capkin, E, Chandran, A.V, Dolci, I, Golding, M, Koekemoer, L, Lithgo, R.M, Marples, P.G, Ni, X, Oliva, G, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Xavier, M.-A.E, Fearon, D, von Delft, F. | | Deposit date: | 2024-04-26 | | Release date: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain
To Be Published
|
|
7JME
 | |
7KQP
 | | Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ADP-ribose (P43 crystal form) | | Descriptor: | Non-structural protein 3, [(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL [HYDROXY-[[(2R,3S,4R,5S)-3,4,5-TRIHYDROXYOXOLAN-2-YL]METHOXY]PHOSPHORYL] HYDROGEN PHOSPHATE | | Authors: | Correy, G.J, Young, I.D, Thompson, M.C, Fraser, J.S. | | Deposit date: | 2020-11-17 | | Release date: | 2020-12-09 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (0.88 Å) | | Cite: | Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking.
Sci Adv, 7, 2021
|
|
8YAX
 | | SARS-CoV-2 DMV nsp3-4 pore complex (full-pore) | | Descriptor: | Non-structural protein 4, Papain-like protease nsp3 | | Authors: | Huang, Y.X, Zhong, L.J, Zhang, W.X, Ni, T. | | Deposit date: | 2024-02-10 | | Release date: | 2024-06-19 | | Last modified: | 2024-09-18 | | Method: | ELECTRON MICROSCOPY (4.9 Å) | | Cite: | Molecular architecture of coronavirus double-membrane vesicle pore complex.
Nature, 633, 2024
|
|
8YB7
 | | SARS-CoV-2 DMV nsp3-4 pore complex (consensus-pore, C3 symmetry) | | Descriptor: | Non-structural protein 4, Papain-like protease nsp3 | | Authors: | Huang, Y.X, Zhong, L.J, Zhang, W.X, Ni, T. | | Deposit date: | 2024-02-12 | | Release date: | 2024-06-19 | | Last modified: | 2024-09-18 | | Method: | ELECTRON MICROSCOPY (4.6 Å) | | Cite: | Molecular architecture of coronavirus double-membrane vesicle pore complex.
Nature, 633, 2024
|
|
8YB5
 | | SARS-CoV-2 DMV nsp3-4 pore complex (consensus-pore, C6 symmetry) | | Descriptor: | Non-structural protein 4, Papain-like protease nsp3 | | Authors: | Huang, Y.X, Zhong, L.J, Zhang, W.X, Ni, T. | | Deposit date: | 2024-02-11 | | Release date: | 2024-06-19 | | Last modified: | 2024-10-16 | | Method: | ELECTRON MICROSCOPY (4.2 Å) | | Cite: | Molecular architecture of coronavirus double-membrane vesicle pore complex.
Nature, 633, 2024
|
|
7OMU
 | | Thermosipho africanus DarTG in complex with ADP-ribose | | Descriptor: | ADENOSINE-5-DIPHOSPHORIBOSE, Macro domain-containing protein | | Authors: | Ariza, A. | | Deposit date: | 2021-05-24 | | Release date: | 2021-06-23 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.96 Å) | | Cite: | Molecular basis for DarT ADP-ribosylation of a DNA base.
Nature, 596, 2021
|
|
8PK7
 | | Helical reconstruction of CHIKV nsP3 helical scaffolds | | Descriptor: | Non-structural protein 3, ZINC ION | | Authors: | Reguera, J, Hons, M, Zimberger, C, Ptchelkine, D, Jones, R, Desfosses, A. | | Deposit date: | 2023-06-25 | | Release date: | 2024-08-14 | | Method: | ELECTRON MICROSCOPY (2.52 Å) | | Cite: | The alphavirus nsP3 protein forms helical tubular scaffolds important for viral replication and particle assembly
To Be Published
|
|
8PHZ
 | | Helical reconstruction of CHIKV nsP3 helical scaffolds | | Descriptor: | Non-structural protein 3, ZINC ION | | Authors: | Reguera, J, Hons, M, Zimberger, C, Ptchelkine, D, Jones, R, Desfosses, A. | | Deposit date: | 2023-06-20 | | Release date: | 2024-08-14 | | Method: | ELECTRON MICROSCOPY (2.35 Å) | | Cite: | The alphavirus nsP3 protein forms helical tubular scaffolds important for viral replication and particle assembly
To be published
|
|
4GUA
 | | Alphavirus P23pro-zbd | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Non-structural polyprotein, SULFATE ION, ... | | Authors: | Shin, G, Yost, S, Miller, M, Marcotrigiano, J. | | Deposit date: | 2012-08-29 | | Release date: | 2012-10-03 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.854 Å) | | Cite: | Structural and functional insights into alphavirus polyprotein processing and pathogenesis.
Proc.Natl.Acad.Sci.USA, 109, 2012
|
|
6LN0
 | |
7WR6
 | | Crystal structure of ADP-riboxanated caspase-4 in complex with Af1521 | | Descriptor: | ADP-ribose glycohydrolase AF_1521, Caspase-4, [[(3~{a}~{S},5~{R},6~{R},6~{a}~{R})-2-azanylidene-3-[(4~{R})-4-azanyl-5-oxidanylidene-pentyl]-6-oxidanyl-3~{a},5,6,6~{a}-tetrahydrofuro[2,3-d][1,3]oxazol-5-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate | | Authors: | Hou, Y.J, Zeng, H, Shao, F, Ding, J. | | Deposit date: | 2022-01-26 | | Release date: | 2023-01-25 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.96 Å) | | Cite: | Structural mechanisms of calmodulin activation of Shigella effector OspC3 to ADP-riboxanate caspase-4/11 and block pyroptosis.
Nat.Struct.Mol.Biol., 30, 2023
|
|
7D3Y
 | | Crystal structure of the osPHR2-osSPX2 complex | | Descriptor: | INOSITOL HEXAKISPHOSPHATE, Protein PHOSPHATE STARVATION RESPONSE 2, SPX domain-containing protein 2,Isoform 1 of Core histone macro-H2A.1 | | Authors: | Zhang, Q.X, Guan, Z.Y, Zuo, J.Q, Zhang, Z.F, Liu, Z. | | Deposit date: | 2020-09-21 | | Release date: | 2021-10-06 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (3.11 Å) | | Cite: | Mechanistic insights into the regulation of plant phosphate homeostasis by the rice SPX2 - PHR2 complex.
Nat Commun, 13, 2022
|
|
6Y4Z
 | | The crystal structure of human MACROD2 in space group P43212 | | Descriptor: | L(+)-TARTARIC ACID, Thioredoxin 1,ADP-ribose glycohydrolase MACROD2 | | Authors: | Wazir, S, Maksimainen, M.M, Lehtio, L. | | Deposit date: | 2020-02-24 | | Release date: | 2020-09-30 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Multiple crystal forms of human MacroD2.
Acta Crystallogr.,Sect.F, 76, 2020
|
|
6Y4Y
 | | The crystal structure of human MACROD2 in space group P41212 | | Descriptor: | L(+)-TARTARIC ACID, Thioredoxin 1,ADP-ribose glycohydrolase MACROD2 | | Authors: | Wazir, S, Maksimainen, M.M, Lehtio, L. | | Deposit date: | 2020-02-24 | | Release date: | 2020-09-30 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Multiple crystal forms of human MacroD2.
Acta Crystallogr.,Sect.F, 76, 2020
|
|
