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PDB: 41042 results

7H7L
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BU of 7h7l by Molmil
Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z815437698 (CHIKV_MacB-x0864)
Descriptor: (3P)-3-(2H-1,3-benzodioxol-5-yl)-1H-pyrazole, 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 (1.35 Å)
Cite:Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain
To Be Published
7H6V
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Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z1262633486 (CHIKV_MacB-x0394)
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-(difluoromethyl)-1-methyl-1H-pyrazole-4-carboxamide, 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 (1.43 Å)
Cite:Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain
To Be Published
7H85
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Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z56896153 (CHIKV_MacB-x1125)
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-cyanoacetamide, 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 (1.35 Å)
Cite:Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain
To Be Published
7H7E
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Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z432057220 (CHIKV_MacB-x0732)
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
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 (1.4 Å)
Cite:Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain
To Be Published
7H8F
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Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z57299966 (CHIKV_MacB-x1183)
Descriptor: (1-methyl-1H-benzimidazol-2-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 (1.42 Å)
Cite:Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain
To Be Published
7H7I
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BU of 7h7i by Molmil
Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z606937774 (CHIKV_MacB-x0824)
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-fluoro-N-[2-(pyridin-4-yl)ethyl]benzamide, 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 (1.53 Å)
Cite:Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain
To Be Published
7H8Q
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Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z1079133092 (CHIKV_MacB-x1278)
Descriptor: 1H-PYRROLO[2,3-B]PYRIDINE-3-CARBOXYLIC ACID, 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 (1.42 Å)
Cite:Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain
To Be Published
7H7R
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BU of 7h7r by Molmil
Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z33546965 (CHIKV_MacB-x0934)
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
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
7H9J
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Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z57376600 (CHIKV_MacB-x1454)
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5-bromo-6-methylpyridin-2-amine, 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 (1.88 Å)
Cite:Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain
To Be Published
7H7K
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BU of 7h7k by Molmil
Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z768399682 (CHIKV_MacB-x0858)
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
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
7H98
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BU of 7h98 by Molmil
Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z271099378 (CHIKV_MacB-x1402)
Descriptor: 1H-PYRROLO[2,3-B]PYRIDINE, 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
5J9F
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BU of 5j9f by Molmil
Human GAR transformylase in complex with GAR and (4-{[2-(2-Amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-6-yl)ethyl]amino}benzoyl)-L-glutamic acid (AGF183)
Descriptor: GLYCINAMIDE RIBONUCLEOTIDE, N-(4-{[2-(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-6-yl)ethyl]amino}benzene-1-carbonyl)-L-glutamic acid, Trifunctional purine biosynthetic protein adenosine-3
Authors:Wong, J, Deis, S.M, Dann III, C.E.
Deposit date:2016-04-09
Release date:2016-08-10
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Tumor Targeting with Novel 6-Substituted Pyrrolo [2,3-d] Pyrimidine Antifolates with Heteroatom Bridge Substitutions via Cellular Uptake by Folate Receptor alpha and the Proton-Coupled Folate Transporter and Inhibition of de Novo Purine Nucleotide Biosynthesis.
J.Med.Chem., 59, 2016
5JKI
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BU of 5jki by Molmil
Crystal structure of the first transmembrane PAP2 type phosphatidylglycerolphosphate phosphatase from Bacillus subtilis
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Putative lipid phosphate phosphatase YodM, TUNGSTATE(VI)ION, ...
Authors:El Ghachi, M, Howe, N, Lampion, A, Delbrassine, F, Vogeley, L, Caffrey, M, Sauvage, E, Auger, R, Guiseppe, A, Roure, S, Perlier, S, Mengin-lecreulx, D, Foglino, M, Touze, T.
Deposit date:2016-04-26
Release date:2017-02-22
Last modified:2017-05-24
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Crystal structure and biochemical characterization of the transmembrane PAP2 type phosphatidylglycerol phosphate phosphatase from Bacillus subtilis.
Cell. Mol. Life Sci., 74, 2017
5FHY
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BU of 5fhy by Molmil
Crystal structure of FliD (HAP2) from Pseudomonas aeruginosa PAO1
Descriptor: B-type flagellar hook-associated protein 2, SODIUM ION
Authors:Postel, S, Bonsor, D, Diederichs, K, Sundberg, E.J.
Deposit date:2015-12-22
Release date:2016-10-05
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.201 Å)
Cite:Bacterial flagellar capping proteins adopt diverse oligomeric states.
Elife, 5, 2016
7MDI
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BU of 7mdi by Molmil
Structure of the Neisseria gonorrhoeae ribonucleotide reductase in the inactive state
Descriptor: 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, CYTIDINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
Authors:Levitz, T.S, Drennan, C.L, Brignole, E.J.
Deposit date:2021-04-05
Release date:2022-01-05
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (4.3 Å)
Cite:Effects of chameleon dispense-to-plunge speed on particle concentration, complex formation, and final resolution: A case study using the Neisseria gonorrhoeae ribonucleotide reductase inactive complex.
J.Struct.Biol., 214, 2021
6V89
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BU of 6v89 by Molmil
Human CtBP1 (28-375) in complex with AMP
Descriptor: ADENOSINE MONOPHOSPHATE, C-terminal-binding protein 1, CALCIUM ION, ...
Authors:Royer, W.E.
Deposit date:2019-12-10
Release date:2021-02-03
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:NAD(H) phosphates mediate tetramer assembly of human C-terminal binding protein (CtBP).
J.Biol.Chem., 296, 2021
7K08
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BU of 7k08 by Molmil
Cryo-EM structure of the nonameric EscV cytosolic domain from the type III secretion system
Descriptor: Translocator EscV
Authors:Majewski, D.D, Lyons, B.J.E, Atkinson, C.E, Strynadka, N.C.J.
Deposit date:2020-09-03
Release date:2020-11-25
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (4.7 Å)
Cite:Cryo-EM analysis of the SctV cytosolic domain from the enteropathogenic E. coli T3SS injectisome.
J.Struct.Biol., 212, 2020
6ANU
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BU of 6anu by Molmil
Cryo-EM structure of F-actin complexed with the beta-III-spectrin actin-binding domain
Descriptor: Actin, cytoplasmic 1, Spectrin beta chain, ...
Authors:Wang, F, Orlova, A, Avery, A.W, Hays, T.S, Egelman, E.H.
Deposit date:2017-08-14
Release date:2017-11-22
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (7 Å)
Cite:Structural basis for high-affinity actin binding revealed by a beta-III-spectrin SCA5 missense mutation.
Nat Commun, 8, 2017
8E5F
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BU of 8e5f by Molmil
Cryo-EM of P. calidifontis cytochrome filament
Descriptor: HEME C, c-type cytochrome
Authors:Wang, F, Cvirkaite-Krupovic, V, Krupovic, M, Egelman, E.H.
Deposit date:2022-08-22
Release date:2023-05-10
Last modified:2023-07-26
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Extracellular cytochrome nanowires appear to be ubiquitous in prokaryotes.
Cell, 186, 2023
7JMT
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BU of 7jmt by Molmil
Crystal structure of schistosome BCL-2 bound to ABT-737
Descriptor: 4-{4-[(4'-CHLOROBIPHENYL-2-YL)METHYL]PIPERAZIN-1-YL}-N-{[4-({(1R)-3-(DIMETHYLAMINO)-1-[(PHENYLTHIO)METHYL]PROPYL}AMINO)-3-NITROPHENYL]SULFONYL}BENZAMIDE, BCL-2 protein
Authors:Smith, N.A, Smith, B.J, Lee, E.F, Colman, P.M, Fairlie, W.D.
Deposit date:2020-08-02
Release date:2021-02-17
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Optimization of Benzothiazole and Thiazole Hydrazones as Inhibitors of Schistosome BCL-2.
Acs Infect Dis., 7, 2021
6EML
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BU of 6eml by Molmil
Cryo-EM structure of a late pre-40S ribosomal subunit from Saccharomyces cerevisiae
Descriptor: 40S ribosomal protein S0-A, 40S ribosomal protein S1-A, 40S ribosomal protein S11-A, ...
Authors:Heuer, A, Thomson, E, Schmidt, C, Berninghausen, O, Becker, T, Hurt, E, Beckmann, R.
Deposit date:2017-10-02
Release date:2017-11-29
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Cryo-EM structure of a late pre-40S ribosomal subunit fromSaccharomyces cerevisiae.
Elife, 6, 2017
5U2B
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BU of 5u2b by Molmil
Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with the phenylamino-substituted estrogen, (8R,9S,13S,14S,17S)-13-methyl-17-(phenylamino)-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-3-ol, without a coactivator peptide
Descriptor: (8~{R},9~{S},13~{S},14~{S},17~{S})-13-methyl-17-phenylazanyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-ol, Estrogen receptor
Authors:Nwachukwu, J.C, Nowak, J, Carlson, K.E, Katzenellenbogen, J.A, Nettles, K.W.
Deposit date:2016-11-30
Release date:2017-04-26
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.22 Å)
Cite:Structural and Molecular Mechanisms of Cytokine-Mediated Endocrine Resistance in Human Breast Cancer Cells.
Mol. Cell, 65, 2017
8DST
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BU of 8dst by Molmil
Cryo-EM of NBD-ffsy filaments (class 2)
Descriptor: NBD-ffsy peptide
Authors:Wang, F, Guo, J, Xu, B, Egelman, E.H.
Deposit date:2022-07-22
Release date:2023-05-31
Last modified:2023-09-27
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Cell spheroid creation by transcytotic intercellular gelation.
Nat Nanotechnol, 18, 2023
8EC3
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BU of 8ec3 by Molmil
The crystal structure of the complement inhibitory domain of Borrelia hermsii FbpC.
Descriptor: Fibronectin-binding protein, MAGNESIUM ION
Authors:Booth, C.E, Garcia, B.L.
Deposit date:2022-09-01
Release date:2023-06-07
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Conformational dynamics of complement protease C1r inhibitor proteins from Lyme disease- and relapsing fever-causing spirochetes.
J.Biol.Chem., 299, 2023
8E5G
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BU of 8e5g by Molmil
Cryo-EM of A. veneficus cytochrome filament
Descriptor: HEME C, c-type cytochrome
Authors:Wang, F, Baquero, D.P, Krupovic, M, Egelman, E.H.
Deposit date:2022-08-22
Release date:2023-05-10
Last modified:2023-07-26
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Extracellular cytochrome nanowires appear to be ubiquitous in prokaryotes.
Cell, 186, 2023

225946

數據於2024-10-09公開中

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