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PDB: 22297 results

7A6I
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Crystal Structure of EGFR-T790M/V948R in Complex with LDC8201
Descriptor: Epidermal growth factor receptor, SULFATE ION, ~{N}-[5-[4-chloranyl-2-[4-(4-methylpiperazin-1-yl)phenyl]-1~{H}-pyrrolo[2,3-b]pyridin-3-yl]-2-methyl-phenyl]propanamide
Authors:Niggenaber, J, Mueller, M.P, Rauh, D.
Deposit date:2020-08-25
Release date:2022-02-23
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Insight into Targeting Exon20 Insertion Mutations of the Epidermal Growth Factor Receptor with Wild Type-Sparing Inhibitors.
J.Med.Chem., 65, 2022
7A6K
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Crystal Structure of EGFR-T790M/V948R in Complex with TAK-788
Descriptor: Epidermal growth factor receptor, SULFATE ION, propan-2-yl 2-[[4-[2-(dimethylamino)ethyl-methyl-amino]-2-methoxy-5-(propanoylamino)phenyl]amino]-4-(1-methylindol-3-yl)pyrimidine-5-carboxylate
Authors:Niggenaber, J, Mueller, M.P, Rauh, D.
Deposit date:2020-08-25
Release date:2022-02-23
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2 Å)
Cite:Insight into Targeting Exon20 Insertion Mutations of the Epidermal Growth Factor Receptor with Wild Type-Sparing Inhibitors.
J.Med.Chem., 65, 2022
8C33
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Anaerobic light exposed 2.25 Angstrom crystal structure of cobalamin binding domain belonging to a light-dependent transcription regulator TtCarH
Descriptor: BROMIDE ION, COBALAMIN, Probable transcriptional regulator
Authors:Poddar, H, Leys, D.
Deposit date:2022-12-23
Release date:2023-08-16
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Redox driven B 12 -ligand switch drives CarH photoresponse.
Nat Commun, 14, 2023
7A6J
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BU of 7a6j by Molmil
Crystal Structure of EGFR-T790M/V948R in Complex with Poziotinib
Descriptor: 1,2-ETHANEDIOL, 1-[4-[4-[[3,4-bis(chloranyl)-2-fluoranyl-phenyl]amino]-7-methoxy-quinazolin-6-yl]oxypiperidin-1-yl]propan-1-one, Epidermal growth factor receptor, ...
Authors:Niggenaber, J, Mueller, M.P, Rauh, D.
Deposit date:2020-08-25
Release date:2022-02-23
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2 Å)
Cite:Insight into Targeting Exon20 Insertion Mutations of the Epidermal Growth Factor Receptor with Wild Type-Sparing Inhibitors.
J.Med.Chem., 65, 2022
8CDW
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BU of 8cdw by Molmil
CRYSTAL STRUCTURE OF HUMAN HPK1 (MAP4K1) COMPLEX WITH 7-(1-methyl-1H-pyrazol-4-yl)-N-[4-(1-methylpiperidin-4-yl)phenyl]quinazolin-2-amine
Descriptor: Mitogen-activated protein kinase kinase kinase kinase 1, ~{N}-[4-(1-methylpiperidin-4-yl)phenyl]-7-(1-methylpyrazol-4-yl)quinazolin-2-amine
Authors:Musil, D, Toure, M.
Deposit date:2023-02-01
Release date:2023-08-16
Method:X-RAY DIFFRACTION (1.941 Å)
Cite:Discovery of quinazoline HPK1 inhibitors with high cellular potency.
Bioorg.Med.Chem., 92, 2023
5MBG
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BU of 5mbg by Molmil
Structure of a bacterial light-regulated adenylyl cyclase
Descriptor: Beta subunit of photoactivated adenylyl cyclase, IODIDE ION
Authors:Lindner, R, Hartmann, E, Tarnawski, M, Winkler, A, Frey, D, Reinstein, J, Meinhart, A, Schlichting, I.
Deposit date:2016-11-08
Release date:2017-04-05
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Photoactivation Mechanism of a Bacterial Light-Regulated Adenylyl Cyclase.
J. Mol. Biol., 429, 2017
8C37
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BU of 8c37 by Molmil
An intermediate light exposed 2.15 Angstrom crystal structure of H132A variant of cobalamin binding domain belonging to a light-dependent transcription regulator TtCarH obtained under anaerobic conditions
Descriptor: COBALAMIN, Probable transcriptional regulator
Authors:Poddar, H, Leys, D.
Deposit date:2022-12-23
Release date:2023-08-16
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Redox driven B 12 -ligand switch drives CarH photoresponse.
Nat Commun, 14, 2023
3VW7
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BU of 3vw7 by Molmil
Crystal structure of human protease-activated receptor 1 (PAR1) bound with antagonist vorapaxar at 2.2 angstrom
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, CHLORIDE ION, Proteinase-activated receptor 1, ...
Authors:Zhang, C, Srinivasan, Y, Arlow, D.H, Fung, J.J, Palmer, D, Zheng, Y, Green, H.F, Pandey, A, Dror, R.O, Shaw, D.E, Weis, W.I, Coughlin, S.R, Kobilka, B.K.
Deposit date:2012-08-07
Release date:2012-12-12
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:High-resolution crystal structure of human protease-activated receptor 1
Nature, 492, 2012
8C31
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BU of 8c31 by Molmil
Dark state 1.8 Angstrom crystal structure of cobalamin binding domain belonging to a light-dependent transcription regulator TtCarH obtained under aerobic condition
Descriptor: 1,2-ETHANEDIOL, 5'-DEOXYADENOSINE, BROMIDE ION, ...
Authors:Poddar, H, Leys, D.
Deposit date:2022-12-23
Release date:2023-08-16
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Redox driven B 12 -ligand switch drives CarH photoresponse.
Nat Commun, 14, 2023
4HN4
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BU of 4hn4 by Molmil
Tryptophan synthase in complex with alpha aminoacrylate E(A-A) form and the F9 inhibitor in the alpha site
Descriptor: 2-({[4-(TRIFLUOROMETHOXY)PHENYL]SULFONYL}AMINO)ETHYL DIHYDROGEN PHOSPHATE, 2-{[(E)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}prop-2-enoic acid, BICINE, ...
Authors:Hilario, E, Niks, D, Dunn, M.F, Mueller, L.J, Fan, L.
Deposit date:2012-10-18
Release date:2013-12-25
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Allostery and substrate channeling in the tryptophan synthase bienzyme complex: evidence for two subunit conformations and four quaternary states.
Biochemistry, 52, 2013
8CPC
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BU of 8cpc by Molmil
3D electron diffraction structure of Hen Egg-White Lysozyme from nano-crystals obtained by high pressure freezing and cryo-sectioning
Descriptor: Lysozyme C
Authors:Moriscot, C, Schoehn, G, Housset, D.
Deposit date:2023-03-02
Release date:2023-09-20
Method:ELECTRON CRYSTALLOGRAPHY (2.91 Å)
Cite:High pressure freezing and cryo-sectioning can be used for protein structure determination by electron diffraction.
Ultramicroscopy, 254, 2023
5MF7
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BU of 5mf7 by Molmil
New Insights into the Role of DNA Shape on Its Recognition by p53 Proteins (complex p53DBD-GADD45)
Descriptor: Cellular tumor antigen p53, DI(HYDROXYETHYL)ETHER, DNA, ...
Authors:Rozenberg, H, Diskin-Posner, Y, Golovenko, D, Shakked, Z.
Deposit date:2016-11-17
Release date:2018-05-30
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:New Insights into the Role of DNA Shape on Its Recognition by p53 Proteins.
Structure, 26, 2018
5MU9
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BU of 5mu9 by Molmil
MOA-E-64 complex
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, Agglutinin, ...
Authors:Cordara, G, Manna, D, Krengel, U.
Deposit date:2017-01-12
Release date:2017-07-12
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Family of Papain-Like Fungal Chimerolectins with Distinct Ca(2+)-Dependent Activation Mechanism.
Biochemistry, 56, 2017
5MUS
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BU of 5mus by Molmil
Structure of the C-terminal domain of a reptarenavirus L protein
Descriptor: CHLORIDE ION, GLYCEROL, L protein
Authors:Rosenthal, M, Gogrefe, N, Reguera, J, Vogel, D, Rauschenberger, B, Cusack, S, Gunther, S, Reindl, S.
Deposit date:2017-01-14
Release date:2017-05-17
Last modified:2017-05-24
Method:X-RAY DIFFRACTION (2.009 Å)
Cite:Structural insights into reptarenavirus cap-snatching machinery.
PLoS Pathog., 13, 2017
4QHK
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BU of 4qhk by Molmil
UCA (unbound) from CH103 Lineage
Descriptor: UCA heavy chain, UCA light chain
Authors:Fera, D, Harrison, S.C.
Deposit date:2014-05-28
Release date:2014-06-11
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3.487 Å)
Cite:Affinity maturation in an HIV broadly neutralizing B-cell lineage through reorientation of variable domains.
Proc.Natl.Acad.Sci.USA, 111, 2014
8CAF
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BU of 8caf by Molmil
N8C_Fab3b in complex with NEDD8-CUL1(WHB)
Descriptor: Cullin-1, Fab Heavy Chain, Fab Light Chain, ...
Authors:Duda, D.M, Yanishevski, D, Henneberg, L.T, Schulman, B.A.
Deposit date:2023-01-24
Release date:2023-09-13
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.66 Å)
Cite:Activity-based profiling of cullin-RING E3 networks by conformation-specific probes.
Nat.Chem.Biol., 19, 2023
8C3D
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BU of 8c3d by Molmil
Sulfonated Calpeptin is a promising drug candidate against SARS-CoV-2 infections
Descriptor: 3-PYRIDIN-4-YL-2,4-DIHYDRO-INDENO[1,2-.C.]PYRAZOLE, CALCIUM ION, Cathepsin K
Authors:Loboda, J, Karnicar, K, Lindic, N, Usenik, A, Lieske, J, Meents, A, Guenther, S, Reinke, P.Y.A, Falke, S, Ewert, W, Turk, D.
Deposit date:2022-12-23
Release date:2023-09-27
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2 Å)
Cite:Calpeptin is a potent cathepsin inhibitor and drug candidate for SARS-CoV-2 infections.
Commun Biol, 6, 2023
8CMN
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BU of 8cmn by Molmil
18mer DNA mimic Foldamer with an aliphatic linker in complex with Sac7d wild protein
Descriptor: DNA-binding protein 7d, N-[2-(2-methyl-1,3-dioxolan-2-yl)phenyl]-2-{[5-(trifluoromethyl)pyridin-2-yl]amino}pyridine-4-carboxamide
Authors:Deepak, D, Corvaglia, V, Wu, J, Huc, I.
Deposit date:2023-02-20
Release date:2023-07-19
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:18mer DNA mimic Foldamer with an aliphatic linker in complex with Sac7d wild protein
To Be Published
5MII
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BU of 5mii by Molmil
Crystal structure of carboxyl esterase 2 (TmelEST2) from mycorrhizal fungus Tuber melanosporum
Descriptor: Carboxyl esterase 2
Authors:Zanotti, G, Vallese, F, Cavazzini, D, Ottonello, S.
Deposit date:2016-11-28
Release date:2017-08-23
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (2.372 Å)
Cite:A family of archaea-like carboxylesterases preferentially expressed in the symbiotic phase of the mycorrhizal fungus Tuber melanosporum.
Sci Rep, 7, 2017
3VSZ
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BU of 3vsz by Molmil
Crystal structure of Ct1,3Gal43A in complex with galactan
Descriptor: GLYCEROL, Ricin B lectin, beta-D-galactopyranose-(1-3)-beta-D-galactopyranose, ...
Authors:Jiang, D, Fan, J, Wang, X, Zhao, Y, Huang, B, Zhang, X.C.
Deposit date:2012-05-18
Release date:2012-12-05
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.893 Å)
Cite:Crystal structure of 1,3Gal43A, an exo-beta-1,3-galactanase from Clostridium thermocellum
J.Struct.Biol., 180, 2012
5MJZ
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BU of 5mjz by Molmil
Crystal structure of the His Domain Protein Tyrosine Phosphatase (HD-PTP/PTPN23) Bro1 domain (Apo structure)
Descriptor: Tyrosine-protein phosphatase non-receptor type 23
Authors:Levy, C, Gahloth, D.
Deposit date:2016-12-02
Release date:2017-08-16
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.867 Å)
Cite:Structural Basis for Specific Interaction of TGF beta Signaling Regulators SARA/Endofin with HD-PTP.
Structure, 25, 2017
7ASD
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BU of 7asd by Molmil
Structure of native royal jelly filaments
Descriptor: (3beta,14beta,17alpha)-ergosta-5,24(28)-dien-3-ol, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Mattei, S, Ban, A, Picenoni, A, Leibundgut, M, Glockshuber, R, Boehringer, D.
Deposit date:2020-10-27
Release date:2020-12-30
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Structure of native glycolipoprotein filaments in honeybee royal jelly.
Nat Commun, 11, 2020
8C80
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BU of 8c80 by Molmil
Cryo-EM structure of the yeast SPT-Orm1-Monomer complex
Descriptor: 2-{[(4-O-alpha-D-glucopyranosyl-alpha-D-glucopyranosyl)oxy]methyl}-4-{[(3beta,9beta,14beta,17beta,25R)-spirost-5-en-3-yl]oxy}butyl 4-O-alpha-D-glucopyranosyl-alpha-D-glucopyranoside, ERGOSTEROL, N-[(2S,3S,4R)-1,3,4-trihydroxyoctadecan-2-yl]hexacosanamide, ...
Authors:Schaefer, J, Koerner, C, Parey, K, Januliene, D, Moeller, A, Froehlich, F.
Deposit date:2023-01-18
Release date:2023-10-11
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Structure of the ceramide-bound SPOTS complex.
Nat Commun, 14, 2023
8C81
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Cryo-EM structure of the yeast SPT-Orm1-Sac1 complex
Descriptor: 2-{[(4-O-alpha-D-glucopyranosyl-alpha-D-glucopyranosyl)oxy]methyl}-4-{[(3beta,9beta,14beta,17beta,25R)-spirost-5-en-3-yl]oxy}butyl 4-O-alpha-D-glucopyranosyl-alpha-D-glucopyranoside, ERGOSTEROL, N-[(2S,3S,4R)-1,3,4-trihydroxyoctadecan-2-yl]hexacosanamide, ...
Authors:Schaefer, J, Koerner, C, Parey, K, Januliene, D, Moeller, A, Froehlich, F.
Deposit date:2023-01-18
Release date:2023-10-11
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Structure of the ceramide-bound SPOTS complex.
Nat Commun, 14, 2023
3VSF
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BU of 3vsf by Molmil
Crystal structure of 1,3Gal43A, an exo-beta-1,3-Galactanase from Clostridium thermocellum
Descriptor: GLYCEROL, Ricin B lectin
Authors:Jiang, D, Fan, J, Wang, X, Zhao, Y, Huang, B, Zhang, X.C.
Deposit date:2012-04-25
Release date:2012-12-05
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.757 Å)
Cite:Crystal structure of 1,3Gal43A, an exo-beta-1,3-galactanase from Clostridium thermocellum
J.Struct.Biol., 180, 2012

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