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6B7P
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BU of 6b7p by Molmil
Crystal structure of Legionella effector sdeD (lpg2509)
Descriptor: SdeD
Authors:Mao, Y, Akturk, A, Wasilko, J.
Deposit date:2017-10-04
Release date:2018-04-18
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.51 Å)
Cite:Mechanism of phosphoribosyl-ubiquitination mediated by a single Legionella effector.
Nature, 557, 2018
6C25
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BU of 6c25 by Molmil
Crystal structure of Adenylosuccinate synthetase from Legionella pneumophila Philadelphia 1 in complex with GDP
Descriptor: Adenylosuccinate synthetase, CHLORIDE ION, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2018-01-06
Release date:2018-03-14
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of Adenylosuccinate synthetase from Legionella pneumophila Philadelphia 1 in complex with GDP
to be published
6C9N
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BU of 6c9n by Molmil
Mycobacterium tuberculosis adenosine kinase bound to sangivamycin
Descriptor: Adenosine kinase, GLYCEROL, SANGIVAMYCIN, ...
Authors:Crespo, R.A, TB Structural Genomics Consortium (TBSGC)
Deposit date:2018-01-28
Release date:2019-05-01
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure-Guided Drug Design of 6-Substituted Adenosine Analogues as Potent Inhibitors of Mycobacterium tuberculosis Adenosine Kinase.
J.Med.Chem., 62, 2019
6C9S
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BU of 6c9s by Molmil
Mycobacterium tuberculosis adenosine kinase bound to (2R,3R,4S,5R)-2-(6-([1,1'-biphenyl]-4-ylethynyl)-9H-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
Descriptor: 6-[([1,1'-biphenyl]-4-yl)ethynyl]-9-beta-D-ribofuranosyl-9H-purine, Adenosine kinase, SODIUM ION, ...
Authors:Crespo, R.A, TB Structural Genomics Consortium (TBSGC)
Deposit date:2018-01-28
Release date:2019-05-01
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:Structure-Guided Drug Design of 6-Substituted Adenosine Analogues as Potent Inhibitors of Mycobacterium tuberculosis Adenosine Kinase.
J.Med.Chem., 62, 2019
6C9P
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BU of 6c9p by Molmil
Mycobacterium tuberculosis adenosine kinase bound to 6-methylmercaptopurine riboside
Descriptor: 2-HYDROXYMETHYL-5-(6-METHYLSULFANYL-PURIN-9-YL)-TETRAHYDRO-FURAN-3,4-DIOL, Adenosine kinase, GLYCEROL, ...
Authors:Crespo, R.A, TB Structural Genomics Consortium (TBSGC)
Deposit date:2018-01-28
Release date:2019-05-01
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure-Guided Drug Design of 6-Substituted Adenosine Analogues as Potent Inhibitors of Mycobacterium tuberculosis Adenosine Kinase.
J.Med.Chem., 62, 2019
8R1O
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BU of 8r1o by Molmil
Structure of C. thermophilum RNA exosome core
Descriptor: Exoribonuclease phosphorolytic domain-containing protein, Exoribonuclease-like protein, Exosome complex component MTR3, ...
Authors:Lazzaretti, D, Liebau, J, Pilsl, M, Sprangers, R.
Deposit date:2023-11-02
Release date:2024-07-17
Method:ELECTRON MICROSCOPY (3.19 Å)
Cite:Beyond static structures: quantitative dynamics in the eukaryotic RNA exosome complex
Biorxiv, 2024
6C9Q
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BU of 6c9q by Molmil
Mycobacterium tuberculosis adenosine kinase bound to 5'-aminoadenosine
Descriptor: 5'-amino-5'-deoxyadenosine, Adenosine kinase
Authors:Crespo, R.A, TB Structural Genomics Consortium (TBSGC)
Deposit date:2018-01-28
Release date:2019-05-01
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structure-Guided Drug Design of 6-Substituted Adenosine Analogues as Potent Inhibitors of Mycobacterium tuberculosis Adenosine Kinase.
J.Med.Chem., 62, 2019
6C9R
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BU of 6c9r by Molmil
Mycobacterium tuberculosis adenosine kinase bound to (2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-(thiophen-3-yl)-9H-purin-9-yl)tetrahydrofuran-3,4-diol
Descriptor: 9-beta-D-ribofuranosyl-6-(thiophen-3-yl)-9H-purine, Adenosine kinase, GLYCEROL, ...
Authors:Crespo, R.A, TB Structural Genomics Consortium (TBSGC)
Deposit date:2018-01-28
Release date:2019-05-01
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure-Guided Drug Design of 6-Substituted Adenosine Analogues as Potent Inhibitors of Mycobacterium tuberculosis Adenosine Kinase.
J.Med.Chem., 62, 2019
6C9V
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BU of 6c9v by Molmil
Mycobacterium tuberculosis adenosine kinase bound to (2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-(4-phenylpiperazin-1-yl)-9H-purin-9-yl)tetrahydrofuran-3,4-diol
Descriptor: (2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-(4-phenylpiperazin-1-yl)-9H-purin-9-yl]tetrahydrofuran-3,4-diol, Adenosine kinase, GLYCEROL, ...
Authors:Crespo, R.A, TB Structural Genomics Consortium (TBSGC)
Deposit date:2018-01-28
Release date:2019-05-01
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structure-Guided Drug Design of 6-Substituted Adenosine Analogues as Potent Inhibitors of Mycobacterium tuberculosis Adenosine Kinase.
J.Med.Chem., 62, 2019
6S5P
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BU of 6s5p by Molmil
Cfucosylated peptide SBL2 bound to Fucose binding Lectin LecB (PA-IIL) from Pseudomonas aeruginosa at 1.46 Angstrom resolution
Descriptor: 3,7-anhydro-2,8-dideoxy-L-glycero-D-gluco-octonic acid, CALCIUM ION, Fucose-binding lectin, ...
Authors:Baeriswyl, S, Stocker, A, Reymond, J.-L.
Deposit date:2019-07-02
Release date:2019-08-21
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.46 Å)
Cite:X-ray Crystal Structures of Short Antimicrobial Peptides as Pseudomonas aeruginosa Lectin B Complexes.
Acs Chem.Biol., 14, 2019
7KW8
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BU of 7kw8 by Molmil
NMR Structure of a tRNA 2'-phosphotransferase from Runella slithyformis
Descriptor: tRNA 2'-phosphotransferase
Authors:Alphonse, S, Dantuluri, S, Banerjee, A, Shuman, S, Ghose, R.
Deposit date:2020-11-30
Release date:2021-10-13
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:NMR solution structures of Runella slithyformis RNA 2'-phosphotransferase Tpt1 provide insights into NAD+ binding and specificity.
Nucleic Acids Res., 49, 2021
6D3Z
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BU of 6d3z by Molmil
Protease SFTI complex
Descriptor: Plasminogen, Trypsin inhibitor 1
Authors:Law, R.H.P, Wu, G.
Deposit date:2018-04-17
Release date:2019-01-23
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2 Å)
Cite:Highly Potent and Selective Plasmin Inhibitors Based on the Sunflower Trypsin Inhibitor-1 Scaffold Attenuate Fibrinolysis in Plasma.
J. Med. Chem., 62, 2019
6D6Y
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BU of 6d6y by Molmil
AprA Methyltransferase 2 - GNAT didomain in complex with SAH
Descriptor: AprA Methyltransferase 2, S-ADENOSYL-L-HOMOCYSTEINE, trimethylamine oxide
Authors:Sikkema, A.P, Smith, J.L.
Deposit date:2018-04-23
Release date:2018-05-09
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.246 Å)
Cite:Biosynthesis of t-Butyl in Apratoxin A: Functional Analysis and Architecture of a PKS Loading Module.
ACS Chem. Biol., 13, 2018
6BS7
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BU of 6bs7 by Molmil
Crystal structure of Adenylosuccinate synthetase from Legionella pneumophila Philadelphia 1
Descriptor: Adenylosuccinate synthetase
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2017-12-01
Release date:2018-01-17
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Crystal structure of Adenylosuccinate synthetase from Legionella pneumophila
to be published
7MGM
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BU of 7mgm by Molmil
Structure of yeast cytoplasmic dynein with AAA3 Walker B mutation bound to Lis1
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
Authors:Lahiri, I, Reimer, J.M, Leschziner, A.E.
Deposit date:2021-04-12
Release date:2022-01-19
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structural basis for cytoplasmic dynein-1 regulation by Lis1.
Elife, 11, 2022
5LDF
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BU of 5ldf by Molmil
Maltose binding protein genetically fused to dodecameric glutamine synthetase
Descriptor: Glutamine synthetase, Maltose-binding periplasmic protein, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose
Authors:Coscia, F, Petosa, C, Schoehn, G.
Deposit date:2016-06-25
Release date:2016-08-10
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (6.2 Å)
Cite:Fusion to a homo-oligomeric scaffold allows cryo-EM analysis of a small protein.
Sci Rep, 6, 2016
5LEF
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BU of 5lef by Molmil
Rab6A:Kif20A complex
Descriptor: GLYCEROL, GUANOSINE-5'-TRIPHOSPHATE, ISOPROPYL ALCOHOL, ...
Authors:Bressanelli, G, Pylypenko, O, Houdusse, A.
Deposit date:2016-06-29
Release date:2017-11-15
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.088 Å)
Cite:Coupling fission and exit of RAB6 vesicles at Golgi hotspots through kinesin-myosin interactions.
Nat Commun, 8, 2017
5LL0
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BU of 5ll0 by Molmil
Structure of Polyphosphate Kinase 2 from Francisella tularensis SCHU S4 with polyphosphate
Descriptor: Polyphosphate kinase 2, bis[oxidanyl-[oxidanyl-[oxidanyl(phosphonooxy)phosphoryl]oxy-phosphoryl]oxy-phosphoryl] hydrogen phosphate
Authors:Roach, P.L, Parnell, A.E.
Deposit date:2016-07-25
Release date:2017-10-11
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Substrate recognition and mechanism revealed by ligand-bound polyphosphate kinase 2 structures.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
6Y5O
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BU of 6y5o by Molmil
The crystal structure of glycogen phosphorylase in complex with 20
Descriptor: 2-(4-fluorophenyl)-5,7-bis(oxidanyl)chromen-4-one, Glycogen phosphorylase, muscle form
Authors:Kyriakis, E, Koulas, S.M, Skamnaki, V.T, Leonidas, D.D.
Deposit date:2020-02-25
Release date:2020-08-19
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:Synthetic flavonoid derivatives targeting the glycogen phosphorylase inhibitor site: QM/MM-PBSA motivated synthesis of substituted 5,7-dihydroxyflavones, crystallography, in vitro kinetics and ex-vivo cellular experiments reveal novel potent inhibitors.
Bioorg.Chem., 102, 2020
5M27
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BU of 5m27 by Molmil
Structure of a bacterial light-regulated adenylyl cylcase
Descriptor: Beta subunit of photoactivated adenylyl cyclase, CALCIUM ION, CHLORIDE ION, ...
Authors:Lindner, R, Hartmann, E, Tarnawski, M, Winkler, A, Frey, D, Reinstein, J, Meinhart, A, Schlichting, I.
Deposit date:2016-10-12
Release date:2017-04-05
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2 Å)
Cite:Photoactivation Mechanism of a Bacterial Light-Regulated Adenylyl Cyclase.
J. Mol. Biol., 429, 2017
6Y55
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BU of 6y55 by Molmil
The crystal structure of glycogen phosphorylase in complex with 43
Descriptor: 2-(3-methylphenyl)-5,7-bis(oxidanyl)chromen-4-one, Glycogen phosphorylase, muscle form
Authors:Kyriakis, E, Koulas, S.M, Skamnaki, V.T, Leonidas, D.D.
Deposit date:2020-02-24
Release date:2020-08-19
Method:X-RAY DIFFRACTION (2.38 Å)
Cite:Synthetic flavonoid derivatives targeting the glycogen phosphorylase inhibitor site: QM/MM-PBSA motivated synthesis of substituted 5,7-dihydroxyflavones, crystallography, in vitro kinetics and ex-vivo cellular experiments reveal novel potent inhibitors.
Bioorg.Chem., 102, 2020
5M42
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BU of 5m42 by Molmil
Structure of Thermus thermophilus L-proline dehydrogenase lacking alpha helices A, B and C
Descriptor: FLAVIN MONONUCLEOTIDE, Proline dehydrogenase
Authors:Martinez-Julvez, M, Huijbers, M.M.E, van Berkel, W.J.H, Medina, M.
Deposit date:2016-10-18
Release date:2017-03-15
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Proline dehydrogenase from Thermus thermophilus does not discriminate between FAD and FMN as cofactor.
Sci Rep, 7, 2017
5MBD
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BU of 5mbd by Molmil
Structure of a bacterial light-regulated adenylyl cylcase
Descriptor: Beta subunit of photoactivated adenylyl cyclase, CHLORIDE ION, FLAVIN MONONUCLEOTIDE
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 (2.25 Å)
Cite:Photoactivation Mechanism of a Bacterial Light-Regulated Adenylyl Cyclase.
J. Mol. Biol., 429, 2017
6Y5C
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BU of 6y5c by Molmil
The crystal structure of glycogen phosphorylase in complex with 52
Descriptor: 2-(4-methylphenyl)-5,7-bis(oxidanyl)chromen-4-one, Glycogen phosphorylase, muscle form
Authors:Kyriakis, E, Koulas, S.M, Skamnaki, V.T, Leonidas, D.D.
Deposit date:2020-02-25
Release date:2020-08-19
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Synthetic flavonoid derivatives targeting the glycogen phosphorylase inhibitor site: QM/MM-PBSA motivated synthesis of substituted 5,7-dihydroxyflavones, crystallography, in vitro kinetics and ex-vivo cellular experiments reveal novel potent inhibitors.
Bioorg.Chem., 102, 2020
8CQ1
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BU of 8cq1 by Molmil
Stem-Loop 4 of the 5'-UTR of the SARS-CoV2 genomic RNA
Descriptor: 5_SL4
Authors:Duchardt-Ferner, E, Voegele, J.
Deposit date:2023-03-03
Release date:2023-09-20
Last modified:2023-11-22
Method:SOLUTION NMR
Cite:High-resolution structure of stem-loop 4 from the 5'-UTR of SARS-CoV-2 solved by solution state NMR.
Nucleic Acids Res., 51, 2023

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PDB entries from 2024-09-04

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