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PDB: 53012 results

9CK0
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BU of 9ck0 by Molmil
Cocrystal of PPARg LBD and NFKBIB / IKBB peptide with agonist GW1929
Descriptor: (2~{S})-3-[4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]-2-[[2-(phenylcarbonyl)phenyl]amino]propanoic acid, NF-kappa-B inhibitor beta, Peroxisome proliferator-activated receptor gamma
Authors:Nemetchek, M.D, McClelland, L.J, Hughes, T.S.
Deposit date:2024-07-08
Release date:2024-07-17
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Cocrystal of PPARg LBD with NFKBIB / IKBB peptide containing N-anchor motif LxxLL and agonist GW1929
To Be Published
8WML
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BU of 8wml by Molmil
Cryo-EM structure of Cas7-11-crRNA bound to N-terminal of TPR-CHAT
Descriptor: CHAT domain-containing protein, CRISPR-associated RAMP family protein, ZINC ION, ...
Authors:Ma, H.Y, Tang, X.D.
Deposit date:2023-10-03
Release date:2024-05-29
Method:ELECTRON MICROSCOPY (2.86 Å)
Cite:Structural basis of negative regulation of CRISPR-Cas7-11 by TPR-CHAT.
Signal Transduct Target Ther, 9, 2024
8ZWJ
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BU of 8zwj by Molmil
Polyadenylic acid bound alpha-synuclein fibril Polymorph 1
Descriptor: Alpha-synuclein, RNA (5'-R(P*AP*AP*A)-3')
Authors:Tao, Y.Q, Liu, C, Li, D.
Deposit date:2024-06-13
Release date:2024-07-03
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Polyadenylic acid bound alpha-synuclein fibril Polymorph 1
To Be Published
8ZWK
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BU of 8zwk by Molmil
Polyadenylic acid bound alpha-synuclein fibril Polymorph 2
Descriptor: Alpha-synuclein, RNA (5'-R(P*AP*AP*A)-3')
Authors:Tao, Y.Q, Liu, C, Li, D.
Deposit date:2024-06-13
Release date:2024-07-03
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Polyadenylic acid bound alpha-synuclein fibril Polymorph 2
To Be Published
9CA2
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BU of 9ca2 by Molmil
ENGINEERING THE HYDROPHOBIC POCKET OF CARBONIC ANHYDRASE II
Descriptor: CARBONIC ANHYDRASE II, MERCURY (II) ION, ZINC ION
Authors:Alexander, R.S, Christianson, D.W.
Deposit date:1991-07-09
Release date:1992-07-15
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Engineering the hydrophobic pocket of carbonic anhydrase II.
Biochemistry, 30, 1991
8X2V
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BU of 8x2v by Molmil
Crystal structure of the ancestral GH19 chitinase, Anc4+LoopII (P12K/N13H mutant)
Descriptor: GH19 chitinase
Authors:Kozome, D, Laurino, P.
Deposit date:2023-11-10
Release date:2024-04-03
Method:X-RAY DIFFRACTION (1.29 Å)
Cite:Beyond the active site: The addition of a remote loop reveals a new complex biological function for chitinase enzymes
To Be Published
9B34
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BU of 9b34 by Molmil
Structure of concanavalin A (ConA) dimer from the open-state structure of kainate receptor GluK2 in complex with agonist glutamate and positive allosteric modulator BPAM344 bound to two ConA dimers. Type I interface between GluK2 ligand-binding domain and ConA
Descriptor: CALCIUM ION, Concanavalin A, ZINC ION
Authors:Nadezhdin, K.D, Gangwar, S.P, Sobolevsky, A.I.
Deposit date:2024-03-18
Release date:2024-05-22
Last modified:2024-06-26
Method:ELECTRON MICROSCOPY (3.58 Å)
Cite:Kainate receptor channel opening and gating mechanism.
Nature, 630, 2024
6OED
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BU of 6oed by Molmil
CRYSTAL STRUCTURE OF THE RV144 C1-C2 SPECIFIC ANTIBODY CH55 FAB
Descriptor: CH55 Fab heavy chain, CH55 Fab light chain
Authors:Yan, F, Van, V, Tolbert, W.D, Pazgier, M.
Deposit date:2019-03-27
Release date:2020-07-15
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.461 Å)
Cite:Recognition Patterns of the C1/C2 Epitopes Involved in Fc-Mediated Response in HIV-1 Natural Infection and the RV114 Vaccine Trial.
Mbio, 11, 2020
9BFL
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BU of 9bfl by Molmil
Solution structure of the scorpion toxin omega-Buthitoxin-Hf1a
Descriptor: Buthitoxin-Hf1a
Authors:Rosengren, K.J, Payne, C.D.
Deposit date:2024-04-18
Release date:2024-06-05
Method:SOLUTION NMR
Cite:Novel Scorpion Toxin omega-Buthitoxin-Hf1a Selectively Inhibits Calcium Influx via Ca V 3.3 and Ca V 3.2 and Alleviates Allodynia in a Mouse Model of Acute Postsurgical Pain.
Int J Mol Sci, 25, 2024
6M8H
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BU of 6m8h by Molmil
Crystal Structure of the R208Q mutant of G(i) subunit alpha-1
Descriptor: 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, Guanine nucleotide-binding protein G(i) subunit alpha-1, MAGNESIUM ION
Authors:Mascarenhas, R, Goossens, J, Leverson, B, Kothawala, S, Ballicora, M, Olsen, K, de freitas, D, Liu, D.
Deposit date:2018-08-21
Release date:2019-08-21
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:FUNCTIONAL CONSEQUENCES OF ONCOGENIC MUTATIONS IN THE SWITCH II REGION OF Galphai1 and Galphas PROTEINS
To Be Published
6U1V
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BU of 6u1v by Molmil
Crystal structure of acyl-ACP/acyl-CoA dehydrogenase from allylmalonyl-CoA and FK506 biosynthesis, TcsD
Descriptor: Acyl-CoA dehydrogenase domain-containing protein, DIHYDROFLAVINE-ADENINE DINUCLEOTIDE
Authors:Blake-Hedges, J.M, Pereira, J.H, Barajas, J.F, Adams, P.D, Keasling, J.D.
Deposit date:2019-08-16
Release date:2019-12-18
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structural Mechanism of Regioselectivity in an Unusual Bacterial Acyl-CoA Dehydrogenase.
J.Am.Chem.Soc., 142, 2020
9BKG
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BU of 9bkg by Molmil
Crystal structure of selenomethionine labeled bovine trypsin mutant - S195A solved by Sulphur-SAD at 1.54A wavelength
Descriptor: Serine protease 1
Authors:Zhou, D, Chen, L, Rose, J.P, Wang, B.C.
Deposit date:2024-04-27
Release date:2024-06-05
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:Crystal structure of selenomethionine labeled bovine trypsin mutant - S195A solved by Sulphur-SAD at 1.54A wavelength
To Be Published
8WAG
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BU of 8wag by Molmil
Crystal structure of the C-terminal fragment (residues 716-982) of Arabidopsis thaliana CHUP1
Descriptor: Protein CHUP1, chloroplastic
Authors:Shimada, A, Nakamura, Y, Takano, A, Kohda, D.
Deposit date:2023-09-07
Release date:2024-01-17
Last modified:2024-04-10
Method:X-RAY DIFFRACTION (3.003 Å)
Cite:CHLOROPLAST UNUSUAL POSITIONING 1 is a plant-specific actin polymerization factor regulating chloroplast movement.
Plant Cell, 36, 2024
8WAF
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BU of 8waf by Molmil
Crystal structure of the C-terminal fragment (residues 756-982 with the C864S mutation) of Arabidopsis thaliana CHUP1
Descriptor: Protein CHUP1, chloroplastic
Authors:Shimada, A, Takano, A, Nakamura, Y, Kohda, D.
Deposit date:2023-09-07
Release date:2024-01-17
Last modified:2024-04-10
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:CHLOROPLAST UNUSUAL POSITIONING 1 is a plant-specific actin polymerization factor regulating chloroplast movement.
Plant Cell, 36, 2024
8X43
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BU of 8x43 by Molmil
human KCNQ2-CaM-Ebio1-S1 complex in the presence of PIP2
Descriptor: Calmodulin-1, N-(4-azanyl-1,2-dihydroacenaphthylen-5-yl)-4-fluoranyl-benzamide, Potassium voltage-gated channel subfamily KQT member 2
Authors:Ma, D, Guo, J.
Deposit date:2023-11-15
Release date:2024-01-17
Last modified:2024-07-17
Method:ELECTRON MICROSCOPY (3 Å)
Cite:A small-molecule activation mechanism that directly opens the KCNQ2 channel.
Nat.Chem.Biol., 20, 2024
6ONO
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BU of 6ono by Molmil
Complex structure of WhiB1 and region 4 of SigA in C2221 space group
Descriptor: DI(HYDROXYETHYL)ETHER, IRON/SULFUR CLUSTER, RNA polymerase sigma factor SigA, ...
Authors:Wan, T, Li, S.R, Beltran, D.G, Schacht, A, Becker, D.C, Zhang, L.M.
Deposit date:2019-04-22
Release date:2019-11-27
Last modified:2020-01-22
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structural basis of non-canonical transcriptional regulation by the sigma A-bound iron-sulfur protein WhiB1 in M. tuberculosis.
Nucleic Acids Res., 48, 2020
9BKL
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BU of 9bkl by Molmil
Cobalt substituted rubredoxin from Pyrococcus furiosus solved by Co/S-SAD
Descriptor: COBALT (II) ION, Rubredoxin
Authors:Zhou, D, Chen, L, Rose, J.P, Wang, B.C.
Deposit date:2024-04-29
Release date:2024-06-05
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Cobalt substituted rubredoxin from Pyrococcus furiosus solved by Co/S-SAD
To Be Published
9BKP
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BU of 9bkp by Molmil
Crystal structure of rubredoxin from Pyrococcus furiosus reconstituted with FeCl3 solved by Fe/S-SAD
Descriptor: FE (III) ION, Rubredoxin
Authors:Zhou, D, Chen, L, Rose, J.P, Wang, B.C.
Deposit date:2024-04-29
Release date:2024-06-05
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of rubredoxin from Pyrococcus furiosus reconstituted with FeCl3 solved by Fe/S-SAD
To Be Published
7A9W
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BU of 7a9w by Molmil
Structure of yeast Rmd9p in complex with 20nt target RNA
Descriptor: CHLORIDE ION, Protein RMD9, mitochondrial, ...
Authors:Hillen, H.S, Markov, D.A, Ireneusz, W.D, Hofmann, K.B, Cowan, A.T, Jones, J.L, Temiakov, D, Cramer, P, Anikin, M.
Deposit date:2020-09-02
Release date:2021-04-07
Last modified:2021-05-05
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:The pentatricopeptide repeat protein Rmd9 recognizes the dodecameric element in the 3'-UTRs of yeast mitochondrial mRNAs.
Proc.Natl.Acad.Sci.USA, 118, 2021
7A9X
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BU of 7a9x by Molmil
Structure of yeast Rmd9p in complex with 16nt target RNA
Descriptor: CHLORIDE ION, Protein RMD9, mitochondrial, ...
Authors:Hillen, H.S, Markov, D.A, Ireneusz, W.D, Hofmann, K.B, Cowan, A.T, Jones, J.L, Temiakov, D, Cramer, P, Anikin, M.
Deposit date:2020-09-02
Release date:2021-04-07
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:The pentatricopeptide repeat protein Rmd9 recognizes the dodecameric element in the 3'-UTRs of yeast mitochondrial mRNAs.
Proc.Natl.Acad.Sci.USA, 118, 2021
6OJC
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BU of 6ojc by Molmil
A high-resolution crystal structure of NocB thioesterase domain from Nocardicin cluster
Descriptor: GLYCEROL, NocB, SULFATE ION
Authors:Patel, K.D, Gulick, A.M.
Deposit date:2019-04-11
Release date:2019-09-11
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Structure of a bound peptide phosphonate reveals the mechanism of nocardicin bifunctional thioesterase epimerase-hydrolase half-reactions.
Nat Commun, 10, 2019
8ZEY
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BU of 8zey by Molmil
Anti-CRISPR type I subtype E3;AcrIE3
Descriptor: AcrIE3
Authors:Kim, D.Y, Park, H.H.
Deposit date:2024-05-07
Release date:2024-06-05
Method:X-RAY DIFFRACTION (1.734 Å)
Cite:Novel structure of the anti-CRISPR protein AcrIE3 and its implication on the CRISPR-Cas inhibition.
Biochem.Biophys.Res.Commun., 722, 2024
6O4O
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BU of 6o4o by Molmil
The structure of human interleukin 11
Descriptor: CHLORIDE ION, Interleukin-11, SULFATE ION
Authors:Metcalfe, R.D, Griffin, M.D.W.
Deposit date:2019-02-28
Release date:2020-05-06
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:The structure of the extracellular domains of human interleukin 11 alpha receptor reveals mechanisms of cytokine engagement.
J.Biol.Chem., 295, 2020
6WVQ
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BU of 6wvq by Molmil
Crystal Structure of Recombinant Human Acetylcholinesterase Inhibited by GP
Descriptor: (1S)-2,2-dimethylcyclopentyl (R)-methylphosphinate, 2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:McGuire, J.R, Bester, S.M, Pegan, S.D, Height, J.J.
Deposit date:2020-05-06
Release date:2021-02-17
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.289 Å)
Cite:Structural and Biochemical Insights into the Inhibition of Human Acetylcholinesterase by G-Series Nerve Agents and Subsequent Reactivation by HI-6.
Chem.Res.Toxicol., 34, 2021
6WVC
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BU of 6wvc by Molmil
Crystal Structure of Recombinant Human Acetylcholinesterase Inhibited by GD
Descriptor: (1S)-2,2-dimethylcyclopentyl (R)-methylphosphinate, 2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:McGuire, J.R, Bester, S.M, Pegan, S.D, Height, J.J.
Deposit date:2020-05-05
Release date:2021-02-17
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.599 Å)
Cite:Structural and Biochemical Insights into the Inhibition of Human Acetylcholinesterase by G-Series Nerve Agents and Subsequent Reactivation by HI-6.
Chem.Res.Toxicol., 34, 2021

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