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PDB: 53266 results

7T1L
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BU of 7t1l by Molmil
Crystal structure of a superbinder Fes SH2 domain (sFesS) in complex with a high affinity phosphopeptide
Descriptor: CHLORIDE ION, SODIUM ION, Synthetic phosphotyrosine-containing Ezrin-derived peptide, ...
Authors:Martyn, G.D, Singer, A.U, Veggiani, G, Kurinov, I, Sicheri, F, Sidhu, S.S.
Deposit date:2021-12-02
Release date:2022-08-24
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Engineered SH2 Domains for Targeted Phosphoproteomics.
Acs Chem.Biol., 17, 2022
6PE4
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BU of 6pe4 by Molmil
Yeast Vo motor in complex with 1 VopQ molecule
Descriptor: Cation transporter, Uncharacterized protein YPR170W-B, V-type proton ATPase subunit a, ...
Authors:Peng, W, Li, Y, Tomchick, D.R, Orth, K.
Deposit date:2019-06-20
Release date:2020-05-20
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:A distinct inhibitory mechanism of the V-ATPase by Vibrio VopQ revealed by cryo-EM.
Nat.Struct.Mol.Biol., 27, 2020
8PQE
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BU of 8pqe by Molmil
c-KIT kinase domain in complex with avapritinib derivative 11
Descriptor: 1,2-ETHANEDIOL, BROMIDE ION, CHLORIDE ION, ...
Authors:Teuber, A, Niggenaber, J, Mueller, M.P, Rauh, D.
Deposit date:2023-07-11
Release date:2023-12-27
Last modified:2024-08-07
Method:X-RAY DIFFRACTION (2 Å)
Cite:Avapritinib-based SAR studies unveil a binding pocket in KIT and PDGFRA.
Nat Commun, 15, 2024
6UXM
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BU of 6uxm by Molmil
Crystal structure of BAK core domain BH3-groove-dimer in complex with E. coli lipid
Descriptor: 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, Bcl-2 homologous antagonist/killer
Authors:Cowan, A.D, Colman, P.M, Czabotar, P.E.
Deposit date:2019-11-07
Release date:2020-09-02
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:BAK core dimers bind lipids and can be bridged by them.
Nat.Struct.Mol.Biol., 27, 2020
6UXU
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BU of 6uxu by Molmil
X-ray Crystal Structure of Chlorothalonil Dehalogenase: Analyzing the Catalytic Mechanism of Hydrolytic Dehalogenation
Descriptor: Chlorothalonil hydrolytic dehalogenase, ZINC ION
Authors:Catlin, D.S, Liu, D.
Deposit date:2019-11-08
Release date:2020-05-13
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.962 Å)
Cite:Structural basis for the hydrolytic dehalogenation of the fungicide chlorothalonil.
J.Biol.Chem., 295, 2020
5MEO
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BU of 5meo by Molmil
Human Leukocyte Antigen presenting ILGKFLHRL
Descriptor: 1,2-ETHANEDIOL, Beta-2-microglobulin, GLYCEROL, ...
Authors:Rizkallah, P.J, Lloyd, A, Crowther, M, Cole, D.K, Sewell, A.K.
Deposit date:2016-11-16
Release date:2016-12-07
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.772 Å)
Cite:Structural Mechanism Underpinning Cross-reactivity of a CD8+ T-cell Clone That Recognizes a Peptide Derived from Human Telomerase Reverse Transcriptase.
J. Biol. Chem., 292, 2017
6YPR
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BU of 6ypr by Molmil
Human histidine triad nucleotide-binding protein 2 (hHINT2) refined to 1.26 A in H32 space group
Descriptor: GLYCEROL, Histidine triad nucleotide-binding protein 2, mitochondrial
Authors:Dolot, R.D, Wlodarczyk, A, Bujacz, G.D, Nawrot, B.C.
Deposit date:2020-04-16
Release date:2020-04-29
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.26 Å)
Cite:Biochemical, crystallographic and biophysical characterization of histidine triad nucleotide-binding protein 2 with different ligands including a non-hydrolyzable analog of Ap4A.
Biochim Biophys Acta Gen Subj, 1865, 2021
7OE7
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BU of 7oe7 by Molmil
Apo-structure of Lassa virus L protein (well-resolved alpha ribbon) [APO-RIBBON]
Descriptor: MAGNESIUM ION, RNA-directed RNA polymerase L, ZINC ION
Authors:Kouba, T, Vogel, D, Thorkelsson, S, Quemin, E, Williams, H.M, Milewski, M, Busch, C, Gunther, S, Grunewald, K, Rosenthal, M, Cusack, S.
Deposit date:2021-05-01
Release date:2021-12-01
Last modified:2024-05-01
Method:ELECTRON MICROSCOPY (3.73 Å)
Cite:Conformational changes in Lassa virus L protein associated with promoter binding and RNA synthesis activity.
Nat Commun, 12, 2021
6F0U
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BU of 6f0u by Molmil
GLIC mutant E35A
Descriptor: ACETATE ION, CHLORIDE ION, DIUNDECYL PHOSPHATIDYL CHOLINE, ...
Authors:Hu, H.D, Delarue, M.
Deposit date:2017-11-20
Release date:2018-01-10
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Full mutational mapping of titratable residues helps to identify proton-sensors involved in the control of channel gating in the Gloeobacter violaceus pentameric ligand-gated ion channel.
PLoS Biol., 15, 2017
7KJM
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BU of 7kjm by Molmil
CRYSTAL STRUCTURE OF HUMAN MDM2 IN COMPLEX WITH D-PEPTIDE INHIBITOR (DPMI-OMEGA)
Descriptor: CHLORIDE ION, D-PMI-omega, DI(HYDROXYETHYL)ETHER, ...
Authors:Tolbert, W.D, Pazgier, M.
Deposit date:2020-10-26
Release date:2021-11-17
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:CRYSTAL STRUCTURE OF HUMAN MDM2 IN COMPLEX WITH D-PEPTIDE INHIBITOR (DPMI-OMEGA)
To Be Published
6P7W
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BU of 6p7w by Molmil
Structure of the K. lactis CBF3 core - Ndc10 D1 complex
Descriptor: Cep3, Ctf13, Ndc10, ...
Authors:Lee, P.D, Wei, H, Tan, D, Harrison, S.C.
Deposit date:2019-06-06
Release date:2019-09-18
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (4.1 Å)
Cite:Structure of the Centromere Binding Factor 3 Complex from Kluyveromyces lactis.
J.Mol.Biol., 431, 2019
6YQU
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BU of 6yqu by Molmil
CRYSTAL STRUCTURE OF HUMAN CA II IN COMPLEX WITH 2-MERCAPTOBENZOXAZOLE
Descriptor: 3~{H}-1,3-benzoxazole-2-thione, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ...
Authors:Alterio, V, De Simone, G, Esposito, D.
Deposit date:2020-04-18
Release date:2020-07-01
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.478 Å)
Cite:2-Mercaptobenzoxazoles: a class of carbonic anhydrase inhibitors with a novel binding mode to the enzyme active site.
Chem.Commun.(Camb.), 56, 2020
5IH7
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BU of 5ih7 by Molmil
Acetylcholinesterase of Torpedo californica in complex with the N-methyl-indoxylacetate hydrolysis products
Descriptor: 1-methyl-1,2-dihydro-3H-indol-3-one, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Pesaresi, A, Lamba, D.
Deposit date:2016-02-29
Release date:2017-04-05
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Acetylcholinesterase of Torpedo californica in complex with the N-methyl-indoxylacetate hydrolysis products
To Be Published
7OCH
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BU of 7och by Molmil
Apo-structure of Lassa virus L protein (well-resolved polymerase core) [APO-CORE]
Descriptor: MAGNESIUM ION, RNA-directed RNA polymerase L, ZINC ION
Authors:Kouba, T, Vogel, D, Thorkelsson, S, Quemin, E, Williams, H.M, Milewski, M, Busch, C, Gunther, S, Grunewald, K, Rosenthal, M, Cusack, S.
Deposit date:2021-04-26
Release date:2021-12-01
Last modified:2024-05-01
Method:ELECTRON MICROSCOPY (3.14 Å)
Cite:Conformational changes in Lassa virus L protein associated with promoter binding and RNA synthesis activity.
Nat Commun, 12, 2021
6V0Z
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BU of 6v0z by Molmil
Structure of ALDH7A1 mutant R441C complexed with NAD
Descriptor: 1,2-ETHANEDIOL, Alpha-aminoadipic semialdehyde dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Korasick, D.A, Tanner, J.J.
Deposit date:2019-11-19
Release date:2020-11-25
Last modified:2024-04-24
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Biochemical, structural, and computational analyses of two new clinically identified missense mutations of ALDH7A1.
Chem.Biol.Interact., 2024
7OE3
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BU of 7oe3 by Molmil
Apo-structure of Lassa virus L protein (well-resolved endonuclease) [APO-ENDO]
Descriptor: MAGNESIUM ION, RNA-directed RNA polymerase L, ZINC ION
Authors:Kouba, T, Vogel, D, Thorkelsson, S, Quemin, E, Williams, H.M, Milewski, M, Busch, C, Gunther, S, Grunewald, K, Rosenthal, M, Cusack, S.
Deposit date:2021-05-01
Release date:2021-12-01
Last modified:2024-05-01
Method:ELECTRON MICROSCOPY (3.35 Å)
Cite:Conformational changes in Lassa virus L protein associated with promoter binding and RNA synthesis activity.
Nat Commun, 12, 2021
5MKG
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BU of 5mkg by Molmil
PA3825-EAL Ca-CdG Structure
Descriptor: 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), CALCIUM ION, Diguanylate phosphodiesterase
Authors:Horrell, S, Bellini, D, Strange, R, Wagner, A, Walsh, M.
Deposit date:2016-12-04
Release date:2016-12-14
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2.44 Å)
Cite:Dimerisation induced formation of the active site and the identification of three metal sites in EAL-phosphodiesterases.
Sci Rep, 7, 2017
6YL3
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BU of 6yl3 by Molmil
High resolution cryo-EM structure of urease from the pathogen Yersinia enterocolitica
Descriptor: NICKEL (II) ION, Urease subunit alpha, Urease subunit beta, ...
Authors:Righetto, R.D, Anton, L, Adaixo, R, Jakob, R, Zivanov, J, Mahi, M.A, Ringler, P, Schwede, T, Maier, T, Stahlberg, H.
Deposit date:2020-04-06
Release date:2020-05-06
Last modified:2020-10-21
Method:ELECTRON MICROSCOPY (1.98 Å)
Cite:High-resolution cryo-EM structure of urease from the pathogen Yersinia enterocolitica.
Nat Commun, 11, 2020
5MOE
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BU of 5moe by Molmil
Crystal Structure of CK2alpha with N-(3-(((2-chloro-[1,1'-biphenyl]-4-yl)methyl)amino)propyl)methanesulfonamide bound
Descriptor: ACETATE ION, ADENOSINE-5'-DIPHOSPHATE, Casein kinase II subunit alpha, ...
Authors:Brear, P, De Fusco, C, Georgiou, K, Iegre, J, Sore, H, Hyvonen, M, Spring, D.
Deposit date:2016-12-14
Release date:2017-05-24
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:A fragment-based approach leading to the discovery of a novel binding site and the selective CK2 inhibitor CAM4066.
Bioorg. Med. Chem., 25, 2017
5J7A
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BU of 5j7a by Molmil
Bacteriorhodopsin ground state structure obtained with Serial Femtosecond Crystallography
Descriptor: 1-[2,6,10.14-TETRAMETHYL-HEXADECAN-16-YL]-2-[2,10,14-TRIMETHYLHEXADECAN-16-YL]GLYCEROL, Bacteriorhodopsin, RETINAL
Authors:Nogly, P, Panneels, V, Nelson, G, Gati, C, Kimura, T, Milne, C, Milathianaki, D, Kubo, M, Wu, W, Conrad, C, Coe, J, Bean, R, Zhao, Y, Bath, P, Dods, R, Harimoorthy, R, Beyerlein, K.R, Rheinberger, J, James, D, DePonte, D, Li, C, Sala, L, Williams, G, Hunter, M, Koglin, J.E, Berntsen, P, Nango, E, Iwata, S, Chapman, H.N, Fromme, P, Frank, M, Abela, R, Boutet, S, Barty, A, White, T.A, Weierstall, U, Spence, J, Neutze, R, Schertler, G, Standfuss, J.
Deposit date:2016-04-06
Release date:2016-08-31
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Lipidic cubic phase injector is a viable crystal delivery system for time-resolved serial crystallography.
Nat Commun, 7, 2016
6V6F
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BU of 6v6f by Molmil
Crystal structure of Q61L KRAS(GMPPNP)-NF1(GRD)-SPRED1(EVH1) complex
Descriptor: FORMIC ACID, GTPase KRas, MAGNESIUM ION, ...
Authors:Yan, W, Simanshu, D.K.
Deposit date:2019-12-05
Release date:2020-07-15
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.542 Å)
Cite:Structural Insights into the SPRED1-Neurofibromin-KRAS Complex and Disruption of SPRED1-Neurofibromin Interaction by Oncogenic EGFR.
Cell Rep, 32, 2020
6V4S
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BU of 6v4s by Molmil
A Closed pore conformation of a Pentameic ligand-gated ion channel with additional N-terminal domain
Descriptor: CALCIUM ION, CHLORIDE ION, DODECYL-BETA-D-MALTOSIDE, ...
Authors:Delarue, M, Hu, H.D.
Deposit date:2019-11-29
Release date:2020-06-03
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.55 Å)
Cite:Structural basis for allosteric transitions of a multidomain pentameric ligand-gated ion channel.
Proc.Natl.Acad.Sci.USA, 117, 2020
7OIF
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BU of 7oif by Molmil
CspA-27 cotranslational folding intermediate 2
Descriptor: 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ...
Authors:Agirrezabala, X, Samatova, E, Macher, M, Liutkute, M, Gil-Carton, D, Novacek, J, Valle, M, Rodnina, M.V.
Deposit date:2021-05-11
Release date:2022-01-19
Last modified:2024-04-24
Method:ELECTRON MICROSCOPY (3 Å)
Cite:A switch from alpha-helical to beta-strand conformation during co-translational protein folding.
Embo J., 41, 2022
1BXH
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BU of 1bxh by Molmil
CONCANAVALIN A COMPLEXED TO METHYL ALPHA1-2 MANNOBIOSIDE
Descriptor: CALCIUM ION, Concanavalin-A, MANGANESE (II) ION, ...
Authors:Moothoo, D.N, Canaan, B, Field, R.A, Naismith, J.H.
Deposit date:1998-10-02
Release date:1998-10-07
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Man alpha1-2 Man alpha-OMe-concanavalin A complex reveals a balance of forces involved in carbohydrate recognition.
Glycobiology, 9, 1999
7OIG
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BU of 7oig by Molmil
CspA-27 cotranslational folding intermediate 3
Descriptor: 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ...
Authors:Agirrezabala, X, Samatova, E, Macher, M, Liutkute, M, Gil-Carton, D, Novacek, J, Valle, M, Rodnina, M.V.
Deposit date:2021-05-11
Release date:2022-01-19
Last modified:2024-04-24
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:A switch from alpha-helical to beta-strand conformation during co-translational protein folding.
Embo J., 41, 2022

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