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PDB: 792 results

8GJ4
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BU of 8gj4 by Molmil
A1 Tei: Adenylation domain 1 core construct from teicoplanin biosynthesis
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLYCEROL, MbtH-like short polypeptide, ...
Authors:Hansen, M.H, Cryle, M.J.
Deposit date:2023-03-14
Release date:2023-12-06
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Resurrecting ancestral antibiotics: unveiling the origins of modern lipid II targeting glycopeptides.
Nat Commun, 14, 2023
8GLC
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BU of 8glc by Molmil
A1 AncAla: Adenylation domain 1 core construct from ancestral reconstruction of glycopeptide antibiotic biosynthesis, alanine selection pocket
Descriptor: MbtH-like short polypeptide, Non-ribosomal peptide synthetase
Authors:Hansen, M.H, Cryle, M.J.
Deposit date:2023-03-21
Release date:2023-12-06
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (3.12 Å)
Cite:Resurrecting ancestral antibiotics: unveiling the origins of modern lipid II targeting glycopeptides.
Nat Commun, 14, 2023
8U3N
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BU of 8u3n by Molmil
Structure of P450Blt from Micromonospora sp. MW-13
Descriptor: Cytochrome P450-SU1, POTASSIUM ION, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Hansen, M.H, Cryle, M.J, Zhao, Y.
Deposit date:2023-09-08
Release date:2024-01-10
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structural Insights into a Side Chain Cross-Linking Biarylitide P450 from RiPP Biosynthesis
Acs Catalysis, 2024
8P4Z
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BU of 8p4z by Molmil
Crystal structure of the human CDK7 kinase domain in complex with LDC4297
Descriptor: 2-[(3R)-piperidin-3-yl]oxy-8-propan-2-yl-N-[(2-pyrazol-1-ylphenyl)methyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine, Cyclin-dependent kinase 7, GLYCEROL, ...
Authors:Laursen, M, Caing-Carlsson, R, Houssari, R, Javadi, A, Kimbung, Y.R, Murina, V, Orozco-Rodriguez, J.M, Svensson, A, Welin, M, Logan, D, Svensson, B, Walse, B.
Deposit date:2023-05-23
Release date:2023-06-14
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Crystal structure of the human CDK7 kinase domain in complex with LDC4297
To Be Published
4XCP
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BU of 4xcp by Molmil
Fatty Acid and Retinol binding protein Na-FAR-1 from Necator americanus
Descriptor: Nematode fatty acid retinoid binding protein, PALMITIC ACID
Authors:Gabrielsen, M, Rey-Burusco, M.F, Ibanez-Shimabukuro, M, Griffiths, K, Kennedy, M.W, Corsico, B, Smith, B.O.
Deposit date:2014-12-18
Release date:2015-09-16
Last modified:2017-08-30
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:Diversity in the structures and ligand-binding sites of nematode fatty acid and retinol-binding proteins revealed by Na-FAR-1 from Necator americanus.
Biochem.J., 471, 2015
6FAO
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BU of 6fao by Molmil
Discovery and characterization of a thermostable GH6 endoglucanase from a compost metagenome
Descriptor: 1,2-ETHANEDIOL, Glycoside hydrolase family 6, SULFATE ION
Authors:Jensen, M.S, Fredriksen, L, MacKenzie, A.K, Pope, P.B, Chylenski, P, Leiros, I, Williamson, A.K, Christopeit, T, Ostby, H, Vaaje-Kolstad, G, Eijsink, V.G.H.
Deposit date:2017-12-15
Release date:2018-06-06
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Discovery and characterization of a thermostable two-domain GH6 endoglucanase from a compost metagenome.
PLoS ONE, 13, 2018
8RP8
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BU of 8rp8 by Molmil
Structure of K2 Fab in complex with human CD47 ECD
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
Authors:Laursen, M, Kelpsas, V, Rose, N.
Deposit date:2024-01-12
Release date:2024-06-19
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural analysis of light chain-driven bispecific antibodies targeting CD47 and PD-L1.
Mabs, 16, 2024
8PVS
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BU of 8pvs by Molmil
Targeting extended blood antigens by Akkermansia muciniphila enzymes unveils a missing link for generating universal donor blood
Descriptor: 1,2-ETHANEDIOL, Alpha-1,3-galactosidase B, CALCIUM ION, ...
Authors:Jensen, M, Abou Hachem, M, Morth, J.P.
Deposit date:2023-07-18
Release date:2024-02-28
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Akkermansia muciniphila exoglycosidases target extended blood group antigens to generate ABO-universal blood.
Nat Microbiol, 9, 2024
8PXU
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BU of 8pxu by Molmil
Targeting extended blood antigens by Akkermansia muciniphila enzymes unveils a missing link for generating universal donor blood
Descriptor: Beta-N-acetylhexosaminidase, CACODYLATE ION
Authors:Jensen, M, Abou Hachem, M, Morth, J.P.
Deposit date:2023-07-24
Release date:2024-02-28
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Akkermansia muciniphila exoglycosidases target extended blood group antigens to generate ABO-universal blood.
Nat Microbiol, 9, 2024
8PXT
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BU of 8pxt by Molmil
Targeting extended blood antigens by Akkermansia muciniphila enzymes unveils a missing link for generating universal donor blood
Descriptor: 2-acetamido-2-deoxy-beta-D-galactopyranose, Beta-N-acetylhexosaminidase, CHLORIDE ION, ...
Authors:Jensen, M, Abou Hachem, M, Morth, J.P.
Deposit date:2023-07-24
Release date:2024-02-28
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Akkermansia muciniphila exoglycosidases target extended blood group antigens to generate ABO-universal blood.
Nat Microbiol, 9, 2024
6GW6
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BU of 6gw6 by Molmil
Structure of the Pseudomonas putida RES-Xre toxin-antitoxin complex
Descriptor: GLYCEROL, IMIDAZOLE, RES toxin, ...
Authors:Senissar, M, Brodersen, D.E.
Deposit date:2018-06-22
Release date:2018-10-24
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2.205 Å)
Cite:The RES domain toxins of RES-Xre toxin-antitoxin modules induce cell stasis by degrading NAD.
Mol. Microbiol., 111, 2019
6XYG
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BU of 6xyg by Molmil
Femtosecond structure of bovine trypsin at room temperature
Descriptor: BENZAMIDINE, CALCIUM ION, Cationic trypsin, ...
Authors:Jensen, M.
Deposit date:2020-01-30
Release date:2021-02-10
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.50000238 Å)
Cite:High-resolution macromolecular crystallography at the FemtoMAX beamline with time-over-threshold photon detection
J.Synchrotron Radiat., 2021
7SFL
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BU of 7sfl by Molmil
Human NKCC1 state Fu-II
Descriptor: 5-(AMINOSULFONYL)-4-CHLORO-2-[(2-FURYLMETHYL)AMINO]BENZOIC ACID, Solute carrier family 12 member 2
Authors:Moseng, M.A.
Deposit date:2021-10-04
Release date:2022-09-28
Last modified:2023-05-31
Method:ELECTRON MICROSCOPY (3.87 Å)
Cite:Inhibition mechanism of NKCC1 involves the carboxyl terminus and long-range conformational coupling.
Sci Adv, 8, 2022
4XQ7
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BU of 4xq7 by Molmil
The crystal structure of the OAS-like domain (OLD) of human OASL
Descriptor: 2'-5'-oligoadenylate synthase-like protein
Authors:Ibsen, M.S, Gad, H.H, Andersen, L.L, Hornung, V, Julkunen, I, Sarkar, S.N, Hartmann, R.
Deposit date:2015-01-19
Release date:2015-04-22
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural and functional analysis reveals that human OASL binds dsRNA to enhance RIG-I signaling.
Nucleic Acids Res., 43, 2015
6P17
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BU of 6p17 by Molmil
Apo PCuAC domain from PmoF1
Descriptor: PmoF1
Authors:Sendzik, M.R, Fisher, O.S, Rosenzweig, A.C.
Deposit date:2019-05-19
Release date:2019-09-25
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.851 Å)
Cite:PCuAC domains from methane-oxidizing bacteria use a histidine brace to bind copper.
J.Biol.Chem., 294, 2019
7T7I
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BU of 7t7i by Molmil
EBV nuclear egress complex
Descriptor: Nuclear egress protein 1, Nuclear egress protein 2, ZINC ION
Authors:Thorsen, M.K, Heldwein, E.E.
Deposit date:2021-12-15
Release date:2022-07-06
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (3.97 Å)
Cite:The nuclear egress complex of Epstein-Barr virus buds membranes through an oligomerization-driven mechanism.
Plos Pathog., 18, 2022
6P16
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BU of 6p16 by Molmil
Cu-bound PCuAC domain from PmoF1
Descriptor: COPPER (II) ION, PmoF1
Authors:Sendzik, M.R, Fisher, O.S, Rosenzweig, A.C.
Deposit date:2019-05-19
Release date:2019-09-25
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.913 Å)
Cite:PCuAC domains from methane-oxidizing bacteria use a histidine brace to bind copper.
J.Biol.Chem., 294, 2019
7SMP
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BU of 7smp by Molmil
CryoEM structure of NKCC1 Bu-I
Descriptor: 3-(butylamino)-4-phenoxy-5-sulfamoylbenzoic acid, POTASSIUM ION, Solute carrier family 12 member 2
Authors:Moseng, M.A.
Deposit date:2021-10-26
Release date:2022-09-28
Last modified:2023-05-31
Method:ELECTRON MICROSCOPY (3.28 Å)
Cite:Inhibition mechanism of NKCC1 involves the carboxyl terminus and long-range conformational coupling.
Sci Adv, 8, 2022
5X94
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BU of 5x94 by Molmil
Crystal structure of SHP2_SH2-CagA EPIYA_D peptide complex
Descriptor: Cag pathogenicity island protein, Tyrosine-protein phosphatase non-receptor type 11
Authors:Senda, M, Senda, T.
Deposit date:2017-03-05
Release date:2017-09-13
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Differential Mechanisms for SHP2 Binding and Activation Are Exploited by Geographically Distinct Helicobacter pylori CagA Oncoproteins.
Cell Rep, 20, 2017
8P1W
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BU of 8p1w by Molmil
Crystal structure of human methionine adenosyltransferase 2A (MAT2A) in complex with allosteric compound STL232591
Descriptor: 1,2-ETHANEDIOL, 5'-DEOXY-5'-METHYLTHIOADENOSINE, 8-methoxy-1-(4-methoxyphenyl)-3-methyl-2-oxidanyl-[1]benzofuro[3,2-c]pyridine, ...
Authors:Thomsen, M, Thieulin-Pardo, G, Neumann, L.
Deposit date:2023-05-12
Release date:2023-08-30
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:Discovery of novel methionine adenosyltransferase 2A (MAT2A) allosteric inhibitors by structure-based virtual screening.
Bioorg.Med.Chem.Lett., 94, 2023
8P4H
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BU of 8p4h by Molmil
Crystal structure of human methionine adenosyltransferase 2A (MAT2A) in complex with SAM and allosteric compound IDEAYA cmpd A
Descriptor: 7-chloranyl-4-[(3R)-3-fluoranylpyrrolidin-1-yl]-1-phenyl-quinazolin-2-one, CHLORIDE ION, GLYCEROL, ...
Authors:Thomsen, M, Thieulin-Pardo, G, Neumann, L.
Deposit date:2023-05-21
Release date:2023-08-30
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:Discovery of novel methionine adenosyltransferase 2A (MAT2A) allosteric inhibitors by structure-based virtual screening.
Bioorg.Med.Chem.Lett., 94, 2023
7GQT
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BU of 7gqt by Molmil
Crystal Structure of Werner helicase fragment 517-945 in complex with ATP
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Bifunctional 3'-5' exonuclease/ATP-dependent helicase WRN, MAGNESIUM ION, ...
Authors:Classen, M, Benz, J, Brugger, D, Rudolph, M.G.
Deposit date:2023-10-19
Release date:2024-05-01
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Chemoproteomic discovery of a covalent allosteric inhibitor of WRN helicase.
Nature, 629, 2024
7GQS
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BU of 7gqs by Molmil
Crystal Structure of Werner helicase fragment 517-945 in complex with ADP
Descriptor: 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, Bifunctional 3'-5' exonuclease/ATP-dependent helicase WRN, ...
Authors:Classen, M, Benz, J, Brugger, D, Rudolph, M.G.
Deposit date:2023-10-19
Release date:2024-05-01
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:Chemoproteomic discovery of a covalent allosteric inhibitor of WRN helicase.
Nature, 629, 2024
7GQU
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BU of 7gqu by Molmil
Crystal Structure of Werner helicase fragment 517-945 in covalent complex with N-[(E,1S)-1-cyclopropyl-3-methylsulfonylprop-2-enyl]-2-(1,1-difluoroethyl)-4-phenoxypyrimidine-5-carboxamide
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Bifunctional 3'-5' exonuclease/ATP-dependent helicase WRN, GLYCEROL, ...
Authors:Classen, M, Benz, J, Brugger, D, Tagliente, O, Rudolph, M.G.
Deposit date:2023-10-19
Release date:2024-05-01
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Chemoproteomic discovery of a covalent allosteric inhibitor of WRN helicase.
Nature, 629, 2024
5X7B
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BU of 5x7b by Molmil
Crystal structure of SHP2_SH2-CagA EPIYA_C peptide complex
Descriptor: CagA, Tyrosine-protein phosphatase non-receptor type 11
Authors:Senda, M, Senda, T.
Deposit date:2017-02-24
Release date:2017-09-13
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Differential Mechanisms for SHP2 Binding and Activation Are Exploited by Geographically Distinct Helicobacter pylori CagA Oncoproteins.
Cell Rep, 20, 2017

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PDB entries from 2024-09-04

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