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PDB: 89111 results

6QAH
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BU of 6qah by Molmil
ERK2 mini-fragment binding
Descriptor: 1-azanylpropylideneazanium, Mitogen-activated protein kinase 1, SULFATE ION
Authors:O'Reilly, M, Cleasby, A, Davies, T.G, Hall, R, Ludlow, F, Murray, C.W, Tisi, D, Jhoti, H.
Deposit date:2018-12-19
Release date:2019-06-26
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Crystallographic screening using ultra-low-molecular-weight ligands to guide drug design.
Drug Discov Today, 24, 2019
5KVR
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BU of 5kvr by Molmil
X-Ray Crystal Structure of a Fragment (1-75) of a Transcriptional Regulator PdhR from Escherichia coli CFT073
Descriptor: Pyruvate dehydrogenase complex repressor
Authors:Brunzelle, J.S, Wawrzak, Z, Sandoval, J, Skarina, T, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2016-07-15
Release date:2016-11-02
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.36 Å)
Cite:X-Ray Crystal Structure of a Fragment (1-75) of a Transcriptional Regulator PdhR from Escherichia coli CFT073
To Be Published
7MP5
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BU of 7mp5 by Molmil
Autoinhibited neurofibrobmin
Descriptor: Isoform I of Neurofibromin
Authors:Lupton, C.J, Bayly-Jones, C, Ellisdon, A.M.
Deposit date:2021-05-04
Release date:2021-12-15
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (5.6 Å)
Cite:The cryo-EM structure of the human neurofibromin dimer reveals the molecular basis for neurofibromatosis type 1.
Nat.Struct.Mol.Biol., 28, 2021
7JUY
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BU of 7juy by Molmil
Crystal Structure of KSR1:MEK1 in complex with AMP-PNP, and allosteric MEK inhibitor Cobimetinib
Descriptor: Dual specificity mitogen-activated protein kinase kinase 1, Kinase suppressor of Ras 1, MAGNESIUM ION, ...
Authors:Khan, Z.M, Dar, A.C.
Deposit date:2020-08-20
Release date:2020-10-07
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.096 Å)
Cite:Structural basis for the action of the drug trametinib at KSR-bound MEK.
Nature, 588, 2020
5HKX
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BU of 5hkx by Molmil
Crystal Structure of c-Cbl TKBD-RING domains (Y371E mutant) Refined to 1.85 A Resolution
Descriptor: 1,2-ETHANEDIOL, E3 ubiquitin-protein ligase CBL, SODIUM ION, ...
Authors:Lovell, S, Battaile, K.P, Mehzabeen, N, Zhang, N, Cooper, A, Gao, P, Perez, R.P.
Deposit date:2016-01-14
Release date:2017-01-18
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Crystal Structure of c-Cbl TKBD-RING domains (Y371E mutant) Refined to 1.85 A Resolution
To be published
7MP6
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BU of 7mp6 by Molmil
Neurofibromin homodimer
Descriptor: Isoform I of Neurofibromin
Authors:Lupton, C.J, Bayly-Jones, C, Ellisdon, A.M.
Deposit date:2021-05-04
Release date:2021-12-15
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (6.25 Å)
Cite:The cryo-EM structure of the human neurofibromin dimer reveals the molecular basis for neurofibromatosis type 1.
Nat.Struct.Mol.Biol., 28, 2021
7K9U
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BU of 7k9u by Molmil
Cryptococcus neoformans Hsp90 nucleotide binding domain in complex with BUCMD00429
Descriptor: (5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl){2,4-dihydroxy-6-[(1-methyl-3-phenyl-1H-pyrazol-5-yl)amino]phenyl}methanone, Hsp90-like protein
Authors:Kuntz, D.A, Prive, G.G.
Deposit date:2020-09-29
Release date:2021-01-27
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Fungal-Selective Resorcylate Aminopyrazole Hsp90 Inhibitors: Optimization of Whole-Cell Anticryptococcal Activity and Insights into the Structural Origins of Cryptococcal Selectivity.
J.Med.Chem., 64, 2021
6G0B
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BU of 6g0b by Molmil
Crystal Structure of a GH8 xylotriose complex from Teredinibacter Turnerae
Descriptor: Glycoside hydrolase family 8 domain protein, beta-D-xylopyranose-(1-4)-beta-D-xylopyranose-(1-4)-beta-D-xylopyranose
Authors:Fowler, C.A, Davies, G.J, Walton, P.H.
Deposit date:2018-03-16
Release date:2018-10-10
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure and function of a glycoside hydrolase family 8 endoxylanase from Teredinibacter turnerae.
Acta Crystallogr D Struct Biol, 74, 2018
6QC6
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BU of 6qc6 by Molmil
Ovine respiratory complex I FRC open class 1
Descriptor: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE, Acyl carrier protein, ...
Authors:Letts, J.A, Sazanov, L.A.
Deposit date:2018-12-27
Release date:2019-08-21
Last modified:2019-10-02
Method:ELECTRON MICROSCOPY (4.1 Å)
Cite:Structures of Respiratory Supercomplex I+III2Reveal Functional and Conformational Crosstalk.
Mol.Cell, 75, 2019
4Z14
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BU of 4z14 by Molmil
Recombinantly expressed latent aurone synthase (polyphenol oxidase)
Descriptor: Aurone synthase, COPPER (II) ION
Authors:Molitor, C, Mauracher, S.G, Rompel, A.
Deposit date:2015-03-26
Release date:2016-06-29
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.53 Å)
Cite:Recombinantly expressed latent aurone synthase (polyphenol oxidase)
To Be Published
8F6M
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BU of 8f6m by Molmil
Complex of Rabbit muscle pyruvate kinase with ADP and the phosphonate analogue of PEP mimicking the Michaelis complex.
Descriptor: (E)-2-METHYL-3-PHOSPHONOACRYLATE, ADENOSINE-5'-DIPHOSPHATE, ALANINE, ...
Authors:Holyoak, T, Fenton, A.W.
Deposit date:2022-11-16
Release date:2023-05-24
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:PYK-SubstitutionOME: an integrated database containing allosteric coupling, ligand affinity and mutational, structural, pathological, bioinformatic and computational information about pyruvate kinase isozymes.
Database (Oxford), 2023, 2023
8SP7
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BU of 8sp7 by Molmil
LINE-1 retrotransposon endonuclease domain complex with tranexamic acid
Descriptor: LINE-1 retrotransposon endonuclease, SULFATE ION, TRANS-4-AMINOMETHYLCYCLOHEXANE-1-CARBOXYLIC ACID
Authors:D'Ordine, A.M, Jogl, G, Sedivy, J.M.
Deposit date:2023-05-02
Release date:2024-05-22
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Identification and characterization of small molecule inhibitors of the LINE-1 retrotransposon endonuclease.
Nat Commun, 15, 2024
8TVQ
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BU of 8tvq by Molmil
Cryo-EM structure of CPD stalled 10-subunit Pol II in complex with Rad26
Descriptor: DNA (NTS), DNA (TS), DNA repair and recombination protein RAD26, ...
Authors:Sarsam, R.D, Lahiri, I, Leschziner, A.E.
Deposit date:2023-08-18
Release date:2024-01-24
Method:ELECTRON MICROSCOPY (4.6 Å)
Cite:Elf1 promotes Rad26's interaction with lesion-arrested Pol II for transcription-coupled repair.
Proc.Natl.Acad.Sci.USA, 121, 2024
3K1L
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BU of 3k1l by Molmil
Crystal Structure of FANCL
Descriptor: CITRIC ACID, Fancl, GOLD ION, ...
Authors:Cole, A.R, Walden, H.
Deposit date:2009-09-28
Release date:2010-02-16
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:The structure of the catalytic subunit FANCL of the Fanconi anemia core complex
Nat.Struct.Mol.Biol., 17, 2010
6FLQ
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BU of 6flq by Molmil
CryoEM structure of E.coli RNA polymerase paused elongation complex bound to NusA
Descriptor: DNA (31-MER), DNA (39-MER), DNA-directed RNA polymerase subunit alpha, ...
Authors:Guo, X, Weixlbaumer, A.
Deposit date:2018-01-26
Release date:2018-03-21
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Structural Basis for NusA Stabilized Transcriptional Pausing.
Mol. Cell, 69, 2018
5YVQ
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BU of 5yvq by Molmil
Complex of Mu phage tail fiber and its chaperone
Descriptor: GLYCEROL, Tail fiber assembly protein U, Tail fiber protein S
Authors:Takeda, S, Sakai, K, Iwazaki, T, Yamashita, E, Nakagawa, A.
Deposit date:2017-11-27
Release date:2019-05-22
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.103 Å)
Cite:Phage tail fibre assembly proteins employ a modular structure to drive the correct folding of diverse fibres.
Nat Microbiol, 4, 2019
5L1E
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BU of 5l1e by Molmil
AMPA subtype ionotropic glutamate receptor GluA2 in complex with noncompetitive inhibitor CP465022
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-(2-chlorophenyl)-2-(2-{6-[(diethylamino)methyl]pyridin-2-yl}ethyl)-6-fluoroquinazolin-4(3H)-one, Glutamate receptor 2
Authors:Yelshanskaya, M.V, Singh, A.K, Sampson, J.M, Sobolevsky, A.I.
Deposit date:2016-07-29
Release date:2016-10-19
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (4.37 Å)
Cite:Structural Bases of Noncompetitive Inhibition of AMPA-Subtype Ionotropic Glutamate Receptors by Antiepileptic Drugs.
Neuron, 91, 2016
4Z5X
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BU of 4z5x by Molmil
Glycogen phosphorylase in complex with gallic acid
Descriptor: 3,4,5-trihydroxybenzoic acid, Glycogen phosphorylase, muscle form, ...
Authors:Kyriakis, E, Kantsadi, L.A, Stravodimos, A.G, Chatzileontiadou, S.M.D, Leonidas, D.D.
Deposit date:2015-04-03
Release date:2015-05-13
Last modified:2018-03-07
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Natural flavonoids as antidiabetic agents. The binding of gallic and ellagic acids to glycogen phosphorylase b.
Febs Lett., 589, 2015
7JO8
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BU of 7jo8 by Molmil
Crystal structure of a Chimeric Antigen Receptor (CAR) scFv domain rearrangement forming a VL-VL dimer
Descriptor: 47G4-CD828Z, MALONATE ION, PENTAETHYLENE GLYCOL, ...
Authors:Cheung, J, Hendrickson, W.A, Kochenderfer, J.N, Youkharibache, P.
Deposit date:2020-08-06
Release date:2021-02-10
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.399 Å)
Cite:Crystal Structure of a Chimeric Antigen Receptor (CAR) scFv Domain Rearrangement Forming a VL-VL Dimer
Crystals, 13, 2023
6RNZ
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BU of 6rnz by Molmil
Crystal structure of the N-terminal HTH DNA-binding domain of the essential repressor DdrO from radiation-resistant Deinococcus bacteria (Deinococcus deserti)
Descriptor: GLYCEROL, HTH-type transcriptional regulator DdrOC
Authors:Arnoux, P, Siponen, M.I, Pignol, D, Brandelet, G, De Groot, A, Blanchard, L.
Deposit date:2019-05-10
Release date:2019-10-09
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Crystal structure of the transcriptional repressor DdrO: insight into the metalloprotease/repressor-controlled radiation response in Deinococcus.
Nucleic Acids Res., 47, 2019
5YYA
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BU of 5yya by Molmil
Crystal structure of Tandem Tudor Domain of human UHRF1
Descriptor: 1,2-ETHANEDIOL, E3 ubiquitin-protein ligase UHRF1, SULFATE ION
Authors:Kori, S, Defossez, P.A, Arita, K.
Deposit date:2017-12-08
Release date:2018-12-12
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structure of the UHRF1 Tandem Tudor Domain Bound to a Methylated Non-histone Protein, LIG1, Reveals Rules for Binding and Regulation.
Structure, 27, 2019
6RO6
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BU of 6ro6 by Molmil
Crystal structure of the C-terminal dimerization domain of the essential repressor DdrO from radiation-resistant Deinococcus bacteria (Deinococcus deserti)
Descriptor: HTH-type transcriptional regulator DdrOC, SULFATE ION
Authors:Pignol, D, Arnoux, P, Siponen, M.I, Brandelet, G, De Groot, A, Blanchard, L.
Deposit date:2019-05-10
Release date:2019-10-09
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.41 Å)
Cite:Crystal structure of the transcriptional repressor DdrO: insight into the metalloprotease/repressor-controlled radiation response in Deinococcus.
Nucleic Acids Res., 47, 2019
6FOC
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BU of 6foc by Molmil
F1-ATPase from Mycobacterium smegmatis
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ATP synthase epsilon chain, ATP synthase gamma chain, ...
Authors:Zhang, T, Montgomery, M.G, Leslie, A.G.W, Cook, G.M, Walker, J.E.
Deposit date:2018-02-06
Release date:2019-01-23
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (4 Å)
Cite:The structure of the catalytic domain of the ATP synthase fromMycobacterium smegmatisis a target for developing antitubercular drugs.
Proc.Natl.Acad.Sci.USA, 116, 2019
5L6X
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BU of 5l6x by Molmil
CRYSTAL STRUCTURE OF HGSTP1-1 COMPLEXED WITH FERROCENE-GLUTATHIONE CONJUGATE
Descriptor: AZIDE ION, Glutathione S-transferase P, S-[N-(ferrocenylmethyl)carbamoylmethyl]-glutathione
Authors:Lopez-Jaramillo, F.J, Garcia-Fuentes, L, Vargas-Berenguel, A.
Deposit date:2016-06-01
Release date:2017-06-28
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2 Å)
Cite:CRYSTAL STRUCTURE OF HGSTP1-1 COMPLEXED WITH FERROCENE-GLUTATHIONE CONJUGATE
To Be Published
7JZV
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BU of 7jzv by Molmil
Cryo-EM structure of the BRCA1-UbcH5c/BARD1 E3-E2 module bound to a nucleosome
Descriptor: BRCA1,Ubiquitin-conjugating enzyme E2 D3, BRCA1-associated RING domain protein 1, Histone H2A type 2-A, ...
Authors:Witus, S.R, Burrell, A.L, Hansen, J.M, Farrell, D.P, Dimaio, F, Kollman, J.M, Klevit, R.E.
Deposit date:2020-09-02
Release date:2021-02-17
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:BRCA1/BARD1 site-specific ubiquitylation of nucleosomal H2A is directed by BARD1.
Nat.Struct.Mol.Biol., 28, 2021

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