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PDB: 42880 results

1L6Y
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BU of 1l6y by Molmil
Crystal Structure of Porphobilinogen Synthase Complexed with the Inhibitor 4-Oxosebacic Acid
Descriptor: 4-OXODECANEDIOIC ACID, GLYCEROL, MAGNESIUM ION, ...
Authors:Jaffe, E.K, Kervinen, J, Martins, J, Stauffer, F, Neier, R, Wlodawer, A, Zdanov, A.
Deposit date:2002-03-14
Release date:2002-04-17
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Species-Specific Inhibition of Porphobilinogen Synthase by 4-Oxosebacic Acid
J.Biol.Chem., 277, 2002
4D5Q
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BU of 4d5q by Molmil
Hypocrea jecorina Cel7A (wild type) soaked with xylopentaose.
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CELLULOSE 1,4-BETA-CELLOBIOSIDASE, COBALT (II) ION, ...
Authors:Momeni, M.H, Stahlberg, J, Hansson, H.
Deposit date:2014-11-07
Release date:2015-03-25
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Structural Insights Into the Inhibition of Cellobiohydrolase Cel7A by Xylooligosaccharides.
FEBS J., 282, 2015
5UCN
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BU of 5ucn by Molmil
Class II fructose-1,6-bisphosphate aldolase E142A variant of Helicobacter pylori with DHAP
Descriptor: 1,3-DIHYDROXYACETONEPHOSPHATE, Fructose-bisphosphate aldolase, SODIUM ION, ...
Authors:Jacques, B, Sygusch, J.
Deposit date:2016-12-22
Release date:2018-04-11
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Active site remodeling during the catalytic cycle in metal-dependent fructose-1,6-bisphosphate aldolases.
J. Biol. Chem., 293, 2018
6OV6
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BU of 6ov6 by Molmil
CRYSTALLOGRAPHIC STRUCTURE OF THE C24 PROTEIN FROM THE ANTARCTIC MICROORGANISM BIZIONIA ARGENTINENSIS
Descriptor: C24 PROTEIN, MANGANESE (II) ION
Authors:Klinke, S, Rinaldi, J, Guimaraes, B.G, Pellizza, L, Aran, M.
Deposit date:2019-05-07
Release date:2020-08-05
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Structure of the putative long tail fiber receptor-binding tip of a novel temperate bacteriophage from the Antarctic bacterium Bizionia argentinensis JUB59.
J.Struct.Biol., 212, 2020
3WUG
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BU of 3wug by Molmil
The mutant crystal structure of b-1,4-Xylanase (XynAS9_V43P/G44E) with xylobiose from Streptomyces sp. 9
Descriptor: Endo-1,4-beta-xylanase A, ZINC ION, beta-D-xylopyranose-(1-4)-beta-D-xylopyranose
Authors:Chen, C.C, Han, X, Lv, P, Ko, T.P, Peng, W, Huang, C.H, Zheng, Y, Gao, J, Yang, Y.Y, Guo, R.T.
Deposit date:2014-04-23
Release date:2014-10-29
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Structural perspectives of an engineered beta-1,4-xylanase with enhanced thermostability.
J.Biotechnol., 189C, 2014
2VWY
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BU of 2vwy by Molmil
ephB4 kinase domain inhibitor complex
Descriptor: EPHRIN TYPE-B RECEPTOR 4, MAGNESIUM ION, N'-(5-chloro-1,3-benzodioxol-4-yl)-N-(3-methylsulfonylphenyl)pyrimidine-2,4-diamine
Authors:Read, J, Brassington, C.A, Green, I, McCall, E.J, Valentine, A.L, Barratt, D, Leach, A.G, Kettle, J.G.
Deposit date:2008-06-30
Release date:2008-10-28
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Inhibitors of the Tyrosine Kinase Ephb4. Part 2: Structure-Based Discovery and Optimisation of 3,5-Bis Substituted Anilinopyrimidines.
Bioorg.Med.Chem.Lett., 18, 2008
4H53
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BU of 4h53 by Molmil
Influenza N2-Tyr406Asp neuraminidase in complex with beta-Neu5Ac
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Vavricka, C.J, Liu, Y, Kiyota, H, Sriwilaijaroen, N, Qi, J, Tanaka, K, Wu, Y, Li, Q, Li, Y, Yan, J, Suzuki, Y, Gao, G.F.
Deposit date:2012-09-18
Release date:2013-02-20
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Influenza neuraminidase operates via a nucleophilic mechanism and can be targeted by covalent inhibitors
Nat Commun, 4, 2013
8ACT
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BU of 8act by Molmil
structure of the human beta-cardiac myosin folded-back off state
Descriptor: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Myosin light chain 3, ...
Authors:Grinzato, A, Kandiah, E, Robert-Paganin, J, Auguin, D, Kikuti, C, Nandwani, N, Moussaoui, D, Pathak, D, Ruppel, K.M, Spudich, J.A, Houdusse, A.
Deposit date:2022-07-06
Release date:2023-06-07
Last modified:2023-08-30
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Cryo-EM structure of the folded-back state of human beta-cardiac myosin.
Nat Commun, 14, 2023
8AOV
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BU of 8aov by Molmil
CryoEM structure of the Chikungunya virus nsP1 capping pores in complex with GTP
Descriptor: GUANOSINE-5'-TRIPHOSPHATE, ZINC ION, mRNA-capping enzyme nsP1
Authors:Jones, R, Hons, M, Reguera, J.
Deposit date:2022-08-08
Release date:2023-05-31
Last modified:2024-07-24
Method:ELECTRON MICROSCOPY (2.48 Å)
Cite:Structural basis and dynamics of Chikungunya alphavirus RNA capping by nsP1 capping pores.
Proc.Natl.Acad.Sci.USA, 120, 2023
4H5S
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BU of 4h5s by Molmil
Complex structure of Necl-2 and CRTAM
Descriptor: Cell adhesion molecule 1, Cytotoxic and regulatory T-cell molecule
Authors:Zhang, S, Lu, G, Qi, J, Li, Y, Zhang, Z, Zhang, B, Yan, J, Gao, G.F.
Deposit date:2012-09-18
Release date:2013-08-07
Last modified:2022-08-24
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Competition of cell adhesion and immune recognition: insights into the interaction between CRTAM and nectin-like 2.
Structure, 21, 2013
8AFI
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BU of 8afi by Molmil
GABARAP in complex with LIR motif of HsATG3
Descriptor: ACETATE ION, GLYCEROL, Gamma-aminobutyric acid receptor-associated protein, ...
Authors:Farnung, J, Benoit, R.M, Corn, J.E, Bode, J.W.
Deposit date:2022-07-18
Release date:2023-05-10
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.66 Å)
Cite:Semisynthetic LC3 Probes for Autophagy Pathways Reveal a Noncanonical LC3 Interacting Region Motif Crucial for the Enzymatic Activity of Human ATG3.
Acs Cent.Sci., 9, 2023
7U1A
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BU of 7u1a by Molmil
RFC:PCNA bound to dsDNA with a ssDNA gap of six nucleotides
Descriptor: ADENOSINE-5'-DIPHOSPHATE, DNA - Primer, DNA - Template, ...
Authors:Liu, X, Gaubitz, C, Pajak, J, Kelch, B.A.
Deposit date:2022-02-20
Release date:2022-07-06
Last modified:2024-02-21
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:A second DNA binding site on RFC facilitates clamp loading at gapped or nicked DNA.
Elife, 11, 2022
2WFL
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BU of 2wfl by Molmil
Crystal structure of polyneuridine aldehyde esterase
Descriptor: POLYNEURIDINE-ALDEHYDE ESTERASE, SULFATE ION
Authors:Yang, L, Hill, M, Panjikar, S, Wang, M, Stoeckigt, J.
Deposit date:2009-04-08
Release date:2009-08-18
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural Basis and Enzymatic Mechanism of the Biosynthesis of C9- from C10-Monoterpenoid Indole Alkaloids.
Angew.Chem.Int.Ed.Engl., 48, 2009
6OUO
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BU of 6ouo by Molmil
RF2 accommodated state bound 70S complex at long incubation time
Descriptor: 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ...
Authors:Fu, Z, Indrisiunaite, G, Kaledhonkar, S, Shah, B, Sun, M, Chen, B, Grassucci, R.A, Ehrenberg, M, Frank, J.
Deposit date:2019-05-05
Release date:2019-06-19
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:The structural basis for release-factor activation during translation termination revealed by time-resolved cryogenic electron microscopy.
Nat Commun, 10, 2019
7U19
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BU of 7u19 by Molmil
RFC:PCNA bound to nicked DNA
Descriptor: ADENOSINE-5'-DIPHOSPHATE, DNA, MAGNESIUM ION, ...
Authors:Liu, X, Gaubitz, C, Pajak, J, Kelch, B.A.
Deposit date:2022-02-20
Release date:2022-07-06
Last modified:2024-02-21
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:A second DNA binding site on RFC facilitates clamp loading at gapped or nicked DNA.
Elife, 11, 2022
4L6T
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BU of 4l6t by Molmil
GM1 bound form of the ECX AB5 holotoxin
Descriptor: ECXA, ECXB, ZINC ION, ...
Authors:Littler, D.R, Ng, N.M, Rossjohn, J, Beddoe, T.
Deposit date:2013-06-12
Release date:2013-11-06
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.859 Å)
Cite:EcxAB Is a Founding Member of a New Family of Metalloprotease AB5 Toxins with a Hybrid Cholera-like B Subunit.
Structure, 21, 2013
2N9C
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BU of 2n9c by Molmil
NRAS Isoform 5
Descriptor: GTPase NRas
Authors:Markowitz, J, Mal, T.K, Yuan, C, Courtney, N.B, Patel, M, Stiff, A.R, Blachly, J, Walker, C, Eisfeld, A, de la Chapelle, A, Carson III, W.E.
Deposit date:2015-11-13
Release date:2016-03-23
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structural characterization of NRAS isoform 5.
Protein Sci., 25, 2016
8AM2
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BU of 8am2 by Molmil
Human butyrylcholinesterase in complex with 2,2'-(((1E,1'E)-(2-phenylpyrimidine-4,6-diyl)bis(methaneylylidene))bis(hydrazin-1-yl-2-ylidene))bis(N,N,N-trimethyl-2-oxoethan-1-aminium)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ...
Authors:Nachon, F, Brazzolotto, X, Dias, J.
Deposit date:2022-08-02
Release date:2023-06-14
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Grid-Type Quaternary Metallosupramolecular Compounds Inhibit Human Cholinesterases through Dynamic Multivalent Interactions.
Chembiochem, 23, 2022
4GOV
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BU of 4gov by Molmil
The crystal structure of human fascin 1 S39D mutant
Descriptor: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, BROMIDE ION, CHLORIDE ION, ...
Authors:Yang, S.Y, Huang, F.K, Huang, J, Chen, S, Jakoncic, J, Leo-Macias, A, Diaz-Avalos, R, Chen, L, Zhang, J.J, Huang, X.Y.
Deposit date:2012-08-20
Release date:2012-11-28
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Molecular mechanism of fascin function in filopodial formation.
J.Biol.Chem., 288, 2013
5U1R
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BU of 5u1r by Molmil
Structure of human MR1-diclofenac in complex with human MAIT A-F7 TCR
Descriptor: 2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACID, ACETATE ION, Beta-2-microglobulin, ...
Authors:Keller, A.N, Rossjohn, J.
Deposit date:2016-11-28
Release date:2017-03-15
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Drugs and drug-like molecules can modulate the function of mucosal-associated invariant T cells.
Nat. Immunol., 18, 2017
8AM1
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BU of 8am1 by Molmil
Human butyrylcholinesterase in complex with zinc and N,N,N-trimethyl-2-oxo-2-(2-(pyridin-2-ylmethylene)hydrazineyl)ethan-1-aminium
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, AMMONIUM ION, ...
Authors:Nachon, F, Brazzolotto, X, Dias, J.
Deposit date:2022-08-02
Release date:2023-06-14
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.53 Å)
Cite:Grid-Type Quaternary Metallosupramolecular Compounds Inhibit Human Cholinesterases through Dynamic Multivalent Interactions.
Chembiochem, 23, 2022
6OPB
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BU of 6opb by Molmil
Structure of Aedes aegypti OBP22 in the complex with arachidic acid
Descriptor: AAEL005772-PA, DIMETHYL SULFOXIDE, icosanoic acid
Authors:Jones, D.N, Wang, J.
Deposit date:2019-04-24
Release date:2019-05-08
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2 Å)
Cite:Aedes aegypti Odorant Binding Protein 22 selectively binds fatty acids through a conformational change in its C-terminal tail.
Sci Rep, 10, 2020
6OPK
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BU of 6opk by Molmil
Phosphorylated ERK2 with Vertex-11e
Descriptor: 4-{2-[(2-chloro-4-fluorophenyl)amino]-5-methylpyrimidin-4-yl}-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-1H-pyrrole-2-carboxamide, Mitogen-activated protein kinase 1
Authors:Vigers, G.P, Rudolph, J.
Deposit date:2019-04-25
Release date:2019-07-31
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.54 Å)
Cite:Activation loop dynamics are controlled by conformation-selective inhibitors of ERK2.
Proc.Natl.Acad.Sci.USA, 116, 2019
6OMG
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Structure of mouse CD1D- Glc-DAG (sn-1 C18:0, sn-2 C18:1c9)-iNKT TCR Ternary complex
Descriptor: (2R)-1-(alpha-D-glucopyranosyloxy)-3-(octadecanoyloxy)propan-2-yl (9Z)-octadec-9-enoate, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Dirk, M.Z, Bitra, A, Wang, J.
Deposit date:2019-04-18
Release date:2020-04-22
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure of mouse CD1D- Glc-DAG (sn-1 C18:0, sn-2 C18:1c9)-iNKT TCR Ternary complex
To Be Published
8AEV
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Human acetylcholinesterase in complex with N,N,N-trimethyl-2-oxo-2-(2-(pyridin-2-ylmethylene)hydrazineyl)ethan-1-aminium
Descriptor: 1-(2-(2-((6-(dihydroxymethyl)-2-phenylpyrimidin-4-yl)methylene)hydrazineyl)-2-oxoethyl)pyridin-1-ium, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Nachon, F, Dias, J, Brazzolotto, X.
Deposit date:2022-07-13
Release date:2023-06-14
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.89 Å)
Cite:Grid-Type Quaternary Metallosupramolecular Compounds Inhibit Human Cholinesterases through Dynamic Multivalent Interactions.
Chembiochem, 23, 2022

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