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8AZZ
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BU of 8azz by Molmil
KRAS-G12V in complex with BI-2865
Descriptor: (4S)-2-azanyl-4-methyl-4-[3-[4-[(1S)-1-[(2S)-1-methylpyrrolidin-1-ium-2-yl]ethoxy]pyrimidin-2-yl]-1,2,4-oxadiazol-5-yl]-6,7-dihydro-5H-1-benzothiophene-3-carbonitrile, 1,2-ETHANEDIOL, GTPase KRas, ...
Authors:Boettcher, J, Herdeis, L.
Deposit date:2022-09-06
Release date:2023-06-21
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.02 Å)
Cite:Pan-KRAS inhibitor disables oncogenic signalling and tumour growth.
Nature, 619, 2023
8EDK
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BU of 8edk by Molmil
Structure of C. elegans UNC-6 LamN and EGF domains
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Netrin unc-6, ...
Authors:Priest, J.M, Ozkan, E.
Deposit date:2022-09-04
Release date:2023-01-11
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure of C. elegans UNC-6/Netrin LamN and 3 EGF Domains
To Be Published
8EDH
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BU of 8edh by Molmil
Identification of a class of WNK isoform-specific inhibitors through high-throughput screening
Descriptor: Serine/threonine-protein kinase WNK3, ethyl 1-(5,7-dimethoxy-4-methylquinolin-2-yl)piperidine-4-carboxylate
Authors:Akella, R, Goldsmith, E.J.
Deposit date:2022-09-04
Release date:2023-03-01
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (3.111 Å)
Cite:Identification of a Class of WNK Isoform-Specific Inhibitors Through High-Throughput Screening.
Drug Des Devel Ther, 17, 2023
8AYZ
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BU of 8ayz by Molmil
Poliovirus type 2 (strain MEF-1) virus-like particle in complex with capsid binder compound 17
Descriptor: 4-[[4-[1,3-bis(oxidanylidene)isoindol-2-yl]phenyl]sulfonylamino]benzoic acid, Capsid protein, VP0, ...
Authors:Bahar, M.W, Fry, E.E, Stuart, D.I.
Deposit date:2022-09-04
Release date:2022-12-07
Method:ELECTRON MICROSCOPY (1.88 Å)
Cite:A conserved glutathione binding site in poliovirus is a target for antivirals and vaccine stabilisation.
Commun Biol, 5, 2022
8AYY
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BU of 8ayy by Molmil
Poliovirus type 3 (strain Saukett) stabilised virus-like particle (PV3 SC8) in complex with GSH and Pleconaril
Descriptor: 3-{3,5-DIMETHYL-4-[3-(3-METHYL-ISOXAZOL-5-YL)-PROPOXY]-PHENYL}-5-TRIFLUOROMETHYL-[1,2,4]OXADIAZOLE, Capsid protein, VP0, ...
Authors:Bahar, M.W, Fry, E.E, Stuart, D.I.
Deposit date:2022-09-04
Release date:2022-12-07
Method:ELECTRON MICROSCOPY (2.6 Å)
Cite:A conserved glutathione binding site in poliovirus is a target for antivirals and vaccine stabilisation.
Commun Biol, 5, 2022
8AYX
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BU of 8ayx by Molmil
Poliovirus type 3 (strain Saukett) stabilised virus-like particle (PV3 SC8) in complex with GSH and GPP3
Descriptor: 1-[(3S)-5-[4-[(E)-ETHOXYIMINOMETHYL]PHENOXY]-3-METHYL-PENTYL]-3-PYRIDIN-4-YL-IMIDAZOLIDIN-2-ONE, Capsid protein, VP0, ...
Authors:Bahar, M.W, Fry, E.E, Stuart, D.I.
Deposit date:2022-09-04
Release date:2022-12-07
Method:ELECTRON MICROSCOPY (2.5 Å)
Cite:A conserved glutathione binding site in poliovirus is a target for antivirals and vaccine stabilisation.
Commun Biol, 5, 2022
8GRZ
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BU of 8grz by Molmil
X-ray crystal structure of V71C human neuroglobin mutant
Descriptor: Neuroglobin, PROTOPORPHYRIN IX CONTAINING FE
Authors:Lin, Y.W.
Deposit date:2022-09-03
Release date:2023-09-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:X-ray crystal structure of V71C human neuroglobin mutant
To Be Published
8ED4
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BU of 8ed4 by Molmil
Structure of the complex between the arsenite oxidase and its native electron acceptor cytochrome c552 from Pseudorhizobium sp. str. NT-26
Descriptor: 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE, AroA, AroB, ...
Authors:Maher, M.J, Poddar, N.
Deposit date:2022-09-03
Release date:2023-04-12
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:The structure of the complex between the arsenite oxidase from Pseudorhizobium banfieldiae sp. strain NT-26 and its native electron acceptor cytochrome c 552.
Acta Crystallogr D Struct Biol, 79, 2023
8GRW
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BU of 8grw by Molmil
Spiroplasma melliferum FtsZ F224M bound to GDP
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Cell division protein FtsZ, GUANOSINE-5'-DIPHOSPHATE
Authors:Chakraborty, J, Pananghat, G.
Deposit date:2022-09-02
Release date:2023-09-06
Method:X-RAY DIFFRACTION (2.40005422 Å)
Cite:Structural basis of kinetic polarity of FtsZ from cell wall less bacterium Spiroplasma
To Be Published
8GRR
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BU of 8grr by Molmil
Complex of FMDV A/WH/CHA/09 and bovine neutralizing scFv antibody W125
Descriptor: A/WH/CHA/09 VP1, A/WH/CHA/09 VP2, A/WH/CHA/09 VP3, ...
Authors:He, Y, Kun, L.
Deposit date:2022-09-02
Release date:2023-10-11
Last modified:2023-12-06
Method:ELECTRON MICROSCOPY (3.72 Å)
Cite:Conserved antigen structures and antibody-driven variations on foot-and-mouth disease virus serotype A revealed by bovine neutralizing monoclonal antibodies.
Plos Pathog., 19, 2023
8ECR
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BU of 8ecr by Molmil
KRAS4b WT 1-185 bound to GDP-Mg2+
Descriptor: GLYCEROL, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Betts, L, Rossman, K.L.
Deposit date:2022-09-02
Release date:2023-09-06
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:KRAS4b WT 1-185 bound to GDP-Mg2+
To Be Published
8GRQ
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BU of 8grq by Molmil
Cryo-EM structure of BRCA1/BARD1 bound to H2AK127-UbcH5c-Ub nucleosome
Descriptor: BRCA1-associated RING domain protein 1, Breast cancer type 1 susceptibility protein, DNA (147-MER), ...
Authors:Ai, H.S, Zebin, T, Zhiheng, D, Jiakun, T, Liying, Z, Jia-Bin, L, Man, P, Liu, L.
Deposit date:2022-09-02
Release date:2023-04-12
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (3.87 Å)
Cite:Synthetic E2-Ub-nucleosome conjugates for studying nucleosome ubiquitination.
Chem, 2023
8GRX
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BU of 8grx by Molmil
APOE4 receptor in complex with APOE4 NTD
Descriptor: Apolipoprotein E, Leukocyte immunoglobulin-like receptor subfamily A member 6
Authors:Zhou, J, Wang, Y, Huang, G, Shi, Y.
Deposit date:2022-09-02
Release date:2023-07-05
Method:ELECTRON MICROSCOPY (3 Å)
Cite:LilrB3 is a putative cell surface receptor of APOE4.
Cell Res., 33, 2023
8AYN
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BU of 8ayn by Molmil
Resting state GluA1/A2 AMPA receptor in complex with TARP gamma 8 and ligand LY3130481
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 6-[(1~{S})-1-[1-[5-(2-hydroxyethyloxy)pyridin-2-yl]pyrazol-3-yl]ethyl]-3~{H}-1,3-benzothiazol-2-one, ...
Authors:Zhang, D, Lape, R, Shaikh, S, Kohegyi, B, Watson, J.F, Cais, O, Nakagawa, T, Greger, I.H.
Deposit date:2022-09-02
Release date:2023-04-19
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Modulatory mechanisms of TARP gamma 8-selective AMPA receptor therapeutics.
Nat Commun, 14, 2023
8AYL
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BU of 8ayl by Molmil
Resting state GluA1/A2 AMPA receptor in complex with TARP gamma 8 and ligand JNJ-61432059
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 5-[2-(4-fluorophenyl)-7-(4-oxidanylpiperidin-1-yl)pyrazolo[1,5-c]pyrimidin-3-yl]-1,3-dihydroindol-2-one, ...
Authors:Zhang, D, Lape, R, Shaikh, S, Kohegyi, B, Watson, J.F, Cais, O, Nakagawa, T, Greger, I.
Deposit date:2022-09-02
Release date:2023-04-19
Last modified:2023-05-24
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Modulatory mechanisms of TARP gamma 8-selective AMPA receptor therapeutics.
Nat Commun, 14, 2023
8AYM
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BU of 8aym by Molmil
Resting state GluA1/A2 AMPA receptor in complex with TARP gamma 8 and ligand JNJ-55511118
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 6-[2-chloro-6-(trifluoromethoxy)phenyl]-1H-benzimidazol-2-ol, ...
Authors:Zhang, D, Lape, R, Shaikh, S, Kohegyi, B, Watson, J.F, Cais, O, Nakagawa, T, Greger, I.H.
Deposit date:2022-09-02
Release date:2023-04-19
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Modulatory mechanisms of TARP gamma 8-selective AMPA receptor therapeutics.
Nat Commun, 14, 2023
8AYO
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BU of 8ayo by Molmil
Open state GluA1/A2 AMPA receptor in complex with TARP gamma 8 and ligand JNJ-61432059
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 5-[2-(4-fluorophenyl)-7-(4-oxidanylpiperidin-1-yl)pyrazolo[1,5-c]pyrimidin-3-yl]-1,3-dihydroindol-2-one, ...
Authors:Zhang, D, Lape, R, Shaikh, S, Kohegyi, B, Watson, J.F, Cais, O, Nakagawa, T, Greger, I.H.
Deposit date:2022-09-02
Release date:2023-04-19
Last modified:2023-05-24
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Modulatory mechanisms of TARP gamma 8-selective AMPA receptor therapeutics.
Nat Commun, 14, 2023
8AXX
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BU of 8axx by Molmil
Expanded Coxsackievirus A9 after treatment with endosomal ionic buffer
Descriptor: Capsid protein VP1, Capsid protein VP2, Capsid protein VP3
Authors:Domanska, A, Plavec, Z, Ruokolainen, V, Loflund, B, Marjomaki, V.S, Butcher, S.J.
Deposit date:2022-09-01
Release date:2022-10-19
Last modified:2023-02-01
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Structural Studies Reveal that Endosomal Cations Promote Formation of Infectious Coxsackievirus A9 A-Particles, Facilitating RNA and VP4 Release.
J.Virol., 96, 2022
8AY1
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BU of 8ay1 by Molmil
Crystal structure of the C. elegans POFUT2 (CePoFUT2) triple mutant (R298K-R299K-A418C) in complex with the Rattus norvegicus TSR4 single mutant (E10C) from F-spondin
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, GDP-fucose protein O-fucosyltransferase 2,Spondin-1, ...
Authors:Hurtado-Guerrero, R, Merino, P.
Deposit date:2022-09-01
Release date:2022-10-26
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.13 Å)
Cite:The Essential Role of Water Molecules in the Reaction Mechanism of Protein O-Fucosyltransferase 2.
Angew.Chem.Int.Ed.Engl., 61, 2022
8AY5
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BU of 8ay5 by Molmil
Human rhinovirus 2 empty particle in situ
Descriptor: Capsid protein VP1, Capsid protein VP2, VP3
Authors:Ishemgulova, A, Mukhamedova, L, Trebichalska, Z, Payne, P, Smerdova, L, Moravcova, J, Hrebik, D, Buchta, D, Skubnik, K, Fuzik, T, Novacek, J, Plevka, P.
Deposit date:2022-09-01
Release date:2023-09-13
Method:ELECTRON MICROSCOPY (7.1 Å)
Cite:Endosome rupture enables enteroviruses to infect cells.
To Be Published
8AY4
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BU of 8ay4 by Molmil
Human rhinovirus 2 virion in situ
Descriptor: Capsid protein VP1, Capsid protein VP2, Capsid protein VP3, ...
Authors:Ishemgulova, A, Mukhamedova, L, Trebichalska, Z, Payne, P, Smerdova, L, Moravcova, J, Hrebik, D, Buchta, D, Skubnik, K, Fuzik, T, Novacek, J, Plevka, P.
Deposit date:2022-09-01
Release date:2023-09-13
Method:ELECTRON MICROSCOPY (4.7 Å)
Cite:Endosome rupture enables enteroviruses to infect cells.
To Be Published
8EC0
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BU of 8ec0 by Molmil
III2IV respiratory supercomplex from Saccharomyces cerevisiae cardiolipin-lacking mutant
Descriptor: (1S)-2-{[{[(2R)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL STEARATE, 1,2-DIACYL-SN-GLYCERO-3-PHOSHOCHOLINE, 5-(3,7,11,15,19,23-HEXAMETHYL-TETRACOSA-2,6,10,14,18,22-HEXAENYL)-2,3-DIMETHOXY-6-METHYL-BENZENE-1,4-DIOL, ...
Authors:Hryc, C.F, Mileykovskaya, E, Baker, M, Dowhan, W.
Deposit date:2022-08-31
Release date:2023-05-24
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Structural insights into cardiolipin replacement by phosphatidylglycerol in a cardiolipin-lacking yeast respiratory supercomplex.
Nat Commun, 14, 2023
8EBZ
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BU of 8ebz by Molmil
Crystal Structure of GMPPNP-bound KRAS-G13D mutant at 1.2 Ang resolution
Descriptor: Isoform 2B of GTPase KRas, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER
Authors:Chan, A.H, Simanshu, D.K.
Deposit date:2022-08-31
Release date:2023-06-07
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Reduced dynamic complexity allows structure elucidation of an excited state of KRAS G13D .
Commun Biol, 6, 2023
8AXG
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BU of 8axg by Molmil
Crystal structure of Fusobacterium nucleatum fusolisin protease
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Fusolisin, ...
Authors:Isupov, M.N, Wiener, R, Rouvinski, A, Fahoum, J, Kumar, M, Read, R.J.
Deposit date:2022-08-31
Release date:2023-09-13
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Crystal structure of Fusobacterium nucleatum fusolisin protease
To Be Published
8GQQ
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BU of 8gqq by Molmil
The three-dimensional structure of Cystatin A2, a cysteine protease inhibitor from Dictyostelium discoideum
Descriptor: Cystatin-A2
Authors:Dinh, T.T, Dao, O, Lee, K.H.
Deposit date:2022-08-30
Release date:2023-09-06
Method:X-RAY DIFFRACTION (1.069 Å)
Cite:The three-dimensional structure of Cystatin A2, a cysteine protease inhibitor from Dictyostelium discoideum
To Be Published

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PDB entries from 2024-07-10

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