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5XTI
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BU of 5xti by Molmil
Cryo-EM architecture of human respiratory chain megacomplex-I2III2IV2
Descriptor: (9R,11S)-9-({[(1S)-1-HYDROXYHEXADECYL]OXY}METHYL)-2,2-DIMETHYL-5,7,10-TRIOXA-2LAMBDA~5~-AZA-6LAMBDA~5~-PHOSPHAOCTACOSANE-6,6,11-TRIOL, 1,2-Dioleoyl-sn-glycero-3-phosphoethanolamine, Acyl carrier protein, ...
Authors:Gu, J, Wu, M, Yang, M.
Deposit date:2017-06-19
Release date:2017-09-13
Last modified:2019-11-20
Method:ELECTRON MICROSCOPY (17.4 Å)
Cite:Architecture of Human Mitochondrial Respiratory Megacomplex I2III2IV2.
Cell, 170, 2017
7PBC
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BU of 7pbc by Molmil
Crystal structure of engineered TCR (796) complexed to HLA-A*02:01 presenting MAGE-A10 9-mer peptide
Descriptor: Beta-2-microglobulin, CHLORIDE ION, GLYCEROL, ...
Authors:Simister, P.C, Border, E.C, Vieira, J.F, Pumphrey, N.J.
Deposit date:2021-08-02
Release date:2022-08-03
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Structural insights into engineering a T-cell receptor targeting MAGE-A10 with higher affinity and specificity for cancer immunotherapy.
J Immunother Cancer, 10, 2022
6D0I
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BU of 6d0i by Molmil
ParT: Prs ADP-ribosylating toxin bound to cognate antitoxin ParS. L48M ParT, SeMet-substituted complex.
Descriptor: GLYCEROL, ParS: COG5642 (DUF2384) antitoxin fragment, ParT: COG5654 (RES domain) toxin
Authors:Piscotta, F.J, Jeffrey, P.D, Link, A.J.
Deposit date:2018-04-10
Release date:2019-01-09
Last modified:2019-01-23
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:ParST is a widespread toxin-antitoxin module that targets nucleotide metabolism.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
6NZF
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BU of 6nzf by Molmil
CRYSTAL STRUCTURE OF TYROSINE KINASE 2 JH2 (PSEUDO KINASE DOMAIN) COMPLEXED WITH Compound_5 AKA 4-[(2-CARBAMOYLPHEN YL)AMINO]-6-[(5-FLUOROPYRIDIN-2-YL)AMINO]-N-METHYLPYRIDINE -3-CARBOXAMIDE
Descriptor: 6-[(5-fluoropyridin-2-yl)amino]-N-methyl-4-{[2-(methylsulfonyl)phenyl]amino}pyridine-3-carboxamide, Non-receptor tyrosine-protein kinase TYK2, SULFATE ION
Authors:Muckelbauer, J.M.
Deposit date:2019-02-13
Release date:2019-07-24
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.39 Å)
Cite:Identification ofN-Methyl Nicotinamide andN-Methyl Pyridazine-3-Carboxamide Pseudokinase Domain Ligands as Highly Selective Allosteric Inhibitors of Tyrosine Kinase 2 (TYK2).
J.Med.Chem., 62, 2019
6Y1H
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BU of 6y1h by Molmil
Major subunit ComGC from S. pneumoniae Com pseudopili
Descriptor: Competence protein
Authors:Sheppard, D, Berry, J.L, Matthews, S.J, Pelicic, V.
Deposit date:2020-02-12
Release date:2020-04-15
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:The major subunit of widespread competence pili exhibits a novel and conserved type IV pilin fold.
J.Biol.Chem., 295, 2020
6D0R
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BU of 6d0r by Molmil
Structure of a DNA retention-prone PCNA variant
Descriptor: Proliferating cell nuclear antigen
Authors:Kelch, B.A, Gaubitz, C.
Deposit date:2018-04-10
Release date:2019-05-15
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.85856962 Å)
Cite:Effective mismatch repair depends on timely control of PCNA retention on DNA by the Elg1 complex.
Nucleic Acids Res., 47, 2019
6VXE
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BU of 6vxe by Molmil
Crystal structure of hydroxyproline dehydratase (HypD) from Clostridioides difficile with substrate trans-4-hydroxy-L-proline bound
Descriptor: 4-HYDROXYPROLINE, Trans-4-hydroxy-L-proline dehydratase
Authors:Backman, L.R.F, Drennan, C.L.
Deposit date:2020-02-21
Release date:2020-04-08
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.464 Å)
Cite:Molecular basis for catabolism of the abundant metabolitetrans-4-hydroxy-L-proline by a microbial glycyl radical enzyme.
Elife, 9, 2020
6Y9X
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BU of 6y9x by Molmil
Structure of the native full-length HIV-1 capsid protein in complex with Cyclophilin A from helical assembly (-13,7)
Descriptor: Gag-Pol polyprotein, Peptidyl-prolyl cis-trans isomerase A
Authors:Ni, T, Gerard, S, Zhao, G, Ning, J, Zhang, P.
Deposit date:2020-03-10
Release date:2020-08-19
Last modified:2021-02-10
Method:ELECTRON MICROSCOPY (4.4 Å)
Cite:Intrinsic curvature of the HIV-1 CA hexamer underlies capsid topology and interaction with cyclophilin A.
Nat.Struct.Mol.Biol., 27, 2020
6OCD
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BU of 6ocd by Molmil
Ricin A chain bound to VHH antibody V6D4
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, IMIDAZOLE, ...
Authors:Rudolph, M.J.
Deposit date:2019-03-22
Release date:2020-04-01
Last modified:2020-10-14
Method:X-RAY DIFFRACTION (2.103 Å)
Cite:Intracellular Neutralization of Ricin Toxin by Single-domain Antibodies Targeting the Active Site.
J.Mol.Biol., 432, 2020
6ODG
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BU of 6odg by Molmil
SVQIVY, Crystal Structure of a tau protein fragment
Descriptor: Microtubule-associated protein tau
Authors:Eisenberg, D.S, Boyer, D.R, Sawaya, M.R, Seidler, P.M.
Deposit date:2019-03-26
Release date:2019-10-02
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1 Å)
Cite:Structure-based inhibitors halt prion-like seeding by Alzheimer's disease-and tauopathy-derived brain tissue samples.
J.Biol.Chem., 294, 2019
6Y7Y
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BU of 6y7y by Molmil
Fragments KCL_771 and KCL_802 in complex with MAP kinase p38-alpha
Descriptor: (2-azanyl-2-adamantyl)methanol, 4-(4-FLUOROPHENYL)-1-(4-PIPERIDINYL)-5-(2-AMINO-4-PYRIMIDINYL)-IMIDAZOLE, 6-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]pyridine-3-sulfonamide, ...
Authors:De Nicola, G.F, Nichols, C.E.
Deposit date:2020-03-02
Release date:2020-03-11
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.51 Å)
Cite:Mining the PDB for Tractable Cases Where X-ray Crystallography Combined with Fragment Screens Can Be Used to Systematically Design Protein-Protein Inhibitors: Two Test Cases Illustrated by IL1 beta-IL1R and p38 alpha-TAB1 Complexes.
J.Med.Chem., 63, 2020
7R1Y
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BU of 7r1y by Molmil
cryoEM structure of human Nup155 (residues 19-981)
Descriptor: Nuclear pore complex protein Nup155
Authors:Taniguchi, R, Beck, M.
Deposit date:2022-02-03
Release date:2022-06-08
Last modified:2024-07-17
Method:ELECTRON MICROSCOPY (3 Å)
Cite:AI-based structure prediction empowers integrative structural analysis of human nuclear pores.
Science, 376, 2022
6Y7W
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BU of 6y7w by Molmil
Fragment KCL_1337 in complex with MAP kinase p38-alpha
Descriptor: (2~{R})-~{N}-[(2-azanyl-2-adamantyl)methyl]-4-[6-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]pyridin-3-yl]sulfonyl-2-methyl-morpholine-2-carboxamide, 4-(4-FLUOROPHENYL)-1-(4-PIPERIDINYL)-5-(2-AMINO-4-PYRIMIDINYL)-IMIDAZOLE, CALCIUM ION, ...
Authors:De Nicola, G.F, Nichols, C.E.
Deposit date:2020-03-02
Release date:2020-03-11
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.39 Å)
Cite:Mining the PDB for Tractable Cases Where X-ray Crystallography Combined with Fragment Screens Can Be Used to Systematically Design Protein-Protein Inhibitors: Two Test Cases Illustrated by IL1 beta-IL1R and p38 alpha-TAB1 Complexes.
J.Med.Chem., 63, 2020
7R5K
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BU of 7r5k by Molmil
Human nuclear pore complex (constricted)
Descriptor: Aladin, E3 SUMO-protein ligase RanBP2, Nuclear pore complex protein Nup107, ...
Authors:Mosalaganti, S, Obarska-Kosinska, A, Siggel, M, Taniguchi, R, Turonova, B, Zimmerli, C.E, Buczak, K, Schmidt, F.H, Margiotta, E, Mackmull, M.T, Hagen, W.J.H, Hummer, G, Kosinski, J, Beck, M.
Deposit date:2022-02-10
Release date:2022-06-22
Last modified:2024-07-17
Method:ELECTRON MICROSCOPY (12 Å)
Cite:AI-based structure prediction empowers integrative structural analysis of human nuclear pores.
Science, 376, 2022
8ERT
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BU of 8ert by Molmil
NLRP3 PYD filament
Descriptor: NACHT, LRR and PYD domains-containing protein 3
Authors:Wu, H, Xiao, L.
Deposit date:2022-10-12
Release date:2022-12-14
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Cryo-EM structures of the active NLRP3 inflammasome disc.
Nature, 613, 2023
6Y9Y
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BU of 6y9y by Molmil
Structure of the native full-length HIV-1 capsid protein in complex with Cyclophilin A from helical assembly (-7,13)
Descriptor: Gag-Pol polyprotein, Peptidyl-prolyl cis-trans isomerase A
Authors:Ni, T, Gerard, S, Zhao, G, Ning, J, Zhang, P.
Deposit date:2020-03-10
Release date:2020-08-19
Last modified:2021-02-10
Method:ELECTRON MICROSCOPY (6.1 Å)
Cite:Intrinsic curvature of the HIV-1 CA hexamer underlies capsid topology and interaction with cyclophilin A.
Nat.Struct.Mol.Biol., 27, 2020
8EJ4
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BU of 8ej4 by Molmil
Cryo-EM structure of the active NLRP3 inflammasome disk
Descriptor: MAGNESIUM ION, NACHT, LRR and PYD domains-containing protein 3, ...
Authors:Hao, W, Le, X.
Deposit date:2022-09-16
Release date:2022-12-14
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Cryo-EM structures of the active NLRP3 inflammasome disc.
Nature, 613, 2023
6VZY
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BU of 6vzy by Molmil
Crystal structure of SznF from Streptomyces achromogenes var. streptozoticus NRRL 2697 with a diiron(II) central domain cofactor
Descriptor: Cupin domain-containing diiron protein, FE (II) ION
Authors:McBride, M.J, Boal, A.K.
Deposit date:2020-02-28
Release date:2021-01-13
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:Structure and assembly of the diiron cofactor in the heme-oxygenase-like domain of the N -nitrosourea-producing enzyme SznF.
Proc.Natl.Acad.Sci.USA, 118, 2021
6YCU
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BU of 6ycu by Molmil
Fragment KCL_K777 in complex with MAP kinase p38-alpha
Descriptor: 4-(4-FLUOROPHENYL)-1-(4-PIPERIDINYL)-5-(2-AMINO-4-PYRIMIDINYL)-IMIDAZOLE, 4-[2,5-bis(oxidanylidene)pyrrol-1-yl]-~{N}-propyl-benzenesulfonamide, CALCIUM ION, ...
Authors:De Nicola, G.F, Nichols, C.E.
Deposit date:2020-03-19
Release date:2020-04-08
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Mining the PDB for Tractable Cases Where X-ray Crystallography Combined with Fragment Screens Can Be Used to Systematically Design Protein-Protein Inhibitors: Two Test Cases Illustrated by IL1 beta-IL1R and p38 alpha-TAB1 Complexes.
J.Med.Chem., 63, 2020
8EHG
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BU of 8ehg by Molmil
Rabbit muscle aldolase determined using single-particle cryo-EM with Apollo camera.
Descriptor: Fructose-bisphosphate aldolase A
Authors:Peng, R, Fu, X, Mendez, J.H, Randolph, P.H, Bammes, B, Stagg, S.M.
Deposit date:2022-09-14
Release date:2022-12-21
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (2.24 Å)
Cite:Characterizing the resolution and throughput of the Apollo direct electron detector.
J Struct Biol X, 7, 2023
4RWO
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BU of 4rwo by Molmil
Crystal structure of the porcine OAS1 L149R mutant in complex with dsRNA and ApCpp in the AMP donor position
Descriptor: 2'-5'-oligoadenylate synthase 1, DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, MAGNESIUM ION, ...
Authors:Lohoefener, J, Steinke, N, Kay-Fedorov, P, Baruch, P, Nikulin, A, Tishchenko, S, Manstein, D.J, Fedorov, R.
Deposit date:2014-12-05
Release date:2015-05-20
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The Activation Mechanism of 2'-5'-Oligoadenylate Synthetase Gives New Insights Into OAS/cGAS Triggers of Innate Immunity.
Structure, 23, 2015
6O2S
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BU of 6o2s by Molmil
Deacetylated Microtubules
Descriptor: GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
Authors:Eshun-Wilson, L, Zhang, R, Portran, D, Nachury, M.V, Toso, D, Lohr, T, Vendruscolo, M, Bonomi, M, Fraser, J.S, Nogales, E.
Deposit date:2019-02-24
Release date:2019-05-22
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (4 Å)
Cite:Effects of alpha-tubulin acetylation on microtubule structure and stability.
Proc.Natl.Acad.Sci.USA, 116, 2019
7PMU
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BU of 7pmu by Molmil
Crystal structure of native Iripin-8
Descriptor: DI(HYDROXYETHYL)ETHER, HEXAETHYLENE GLYCOL, Serpin-8, ...
Authors:Polderdijk, S, Kotal, J, Chmelar, J, Huntington, J.A.
Deposit date:2021-09-02
Release date:2021-10-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Ixodes ricinus Salivary Serpin Iripin-8 Inhibits the Intrinsic Pathway of Coagulation and Complement.
Int J Mol Sci, 22, 2021
7PMW
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BU of 7pmw by Molmil
HsPepT1 bound to Ala-Phe in the outward facing occluded conformation
Descriptor: ALA-PHE, Solute carrier family 15 member 1
Authors:Killer, M, Wald, J, Pieprzyk, J, Marlovits, T.C, Loew, C.
Deposit date:2021-09-03
Release date:2021-10-20
Last modified:2024-07-17
Method:ELECTRON MICROSCOPY (4.1 Å)
Cite:Structural snapshots of human PepT1 and PepT2 reveal mechanistic insights into substrate and drug transport across epithelial membranes.
Sci Adv, 7, 2021
6O2T
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BU of 6o2t by Molmil
Acetylated Microtubules
Descriptor: GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
Authors:Eshun-Wilson, L, Zhang, R, Portran, D, Nachury, M.V, Toso, D, Lohr, T, Vendruscolo, M, Bonomi, M, Fraser, J.S, Nogales, E.
Deposit date:2019-02-24
Release date:2019-05-22
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (4.1 Å)
Cite:Effects of alpha-tubulin acetylation on microtubule structure and stability.
Proc.Natl.Acad.Sci.USA, 116, 2019

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數據於2024-07-17公開中

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