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6V3C
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BU of 6v3c by Molmil
K2P2.1(TREK-1)I110D:Ru360 bound channel structure
Descriptor: CADMIUM ION, HEXANE, N-OCTANE, ...
Authors:Pope, L, Lolicato, M, Minor, D.L.
Deposit date:2019-11-25
Release date:2020-02-26
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.51 Å)
Cite:Polynuclear Ruthenium Amines Inhibit K2PChannels via a "Finger in the Dam" Mechanism.
Cell Chem Biol, 2020
5JMQ
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BU of 5jmq by Molmil
Crystal Structure of Mus musculus Protein Arginine Methyltransferase 2 with CP3
Descriptor: 1,2-ETHANEDIOL, 9-[(5E)-7-carbamimidamido-5,6,7-trideoxy-beta-D-ribo-hept-5-enofuranosyl]-9H-purin-6-amine, CALCIUM ION, ...
Authors:Cura, V, Troffer-Charlier, N, Marechal, N, Bonnefond, L, Cavarelli, J.
Deposit date:2016-04-29
Release date:2017-05-10
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.795 Å)
Cite:Structural studies of protein arginine methyltransferase 2 reveal its interactions with potential substrates and inhibitors.
Febs J., 284, 2017
4XTB
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BU of 4xtb by Molmil
Crystal structure of the N-terminal domain of the human mitochondrial calcium uniporter
Descriptor: Calcium uniporter protein, mitochondrial, TETRAETHYLENE GLYCOL
Authors:Lee, Y, Min, C.K, Kim, T.G, Song, H.K, Lim, Y, Kim, D, Shin, K, Kang, M, Kang, J.Y, Youn, H.-S, Lee, J.-G, An, J.Y, Park, K.R, Lim, J.J, Kim, J.H, Kim, J.H, Park, Z.Y, Kim, Y.-S, Wang, J, Kim, D.H, Eom, S.H.
Deposit date:2015-01-23
Release date:2015-09-16
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structure and function of the N-terminal domain of the human mitochondrial calcium uniporter.
Embo Rep., 16, 2015
6YLK
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BU of 6ylk by Molmil
Cdk2(F80C) with Covalent Adduct TK22 at F80C
Descriptor: Cyclin-dependent kinase 2, methyl 4-ethyl-1-propanoyl-2,3-dihydroquinoxaline-6-carboxylate
Authors:Craven, G, Morgan, R.M.L, Mann, D.J.
Deposit date:2020-04-07
Release date:2020-07-22
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Multiparameter Kinetic Analysis for Covalent Fragment Optimization by Using Quantitative Irreversible Tethering (qIT).
Chembiochem, 21, 2020
5JAD
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BU of 5jad by Molmil
Compound binding to Human Lipoprotein-Associated Phospholipase A2 (Lp-PLA2)discovered through fragment screening
Descriptor: CHLORIDE ION, DIMETHYL SULFOXIDE, MAGNESIUM ION, ...
Authors:Day, P.J, Woolford, A.J.-A.
Deposit date:2016-04-12
Release date:2016-05-25
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Exploitation of a Novel Binding Pocket in Human Lipoprotein-Associated Phospholipase A2 (Lp-PLA2) Discovered through X-ray Fragment Screening.
J.Med.Chem., 59, 2016
6YLO
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BU of 6ylo by Molmil
mTurquoise2 - Directionality of Optical Properties of Fluorescent Proteins
Descriptor: POTASSIUM ION, TETRAETHYLENE GLYCOL, mTurquoise2_C2221
Authors:Myskova, J, Rybakova, O, Brynda, J, Lazar, J.
Deposit date:2020-04-07
Release date:2020-12-16
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Directionality of light absorption and emission in representative fluorescent proteins.
Proc.Natl.Acad.Sci.USA, 117, 2020
5JAH
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BU of 5jah by Molmil
Exploitation of a Novel Binding Pocket in Human Lipoprotein-Associated Phospholipase A2 (Lp-PLA2) Discovered Through X-Ray Fragment Screening
Descriptor: 1,5,5-trimethylimidazolidine-2,4-dione, CHLORIDE ION, Platelet-activating factor acetylhydrolase
Authors:Day, P.J.
Deposit date:2016-04-12
Release date:2016-05-25
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:Exploitation of a Novel Binding Pocket in Human Lipoprotein-Associated Phospholipase A2 (Lp-PLA2) Discovered through X-ray Fragment Screening.
J.Med.Chem., 59, 2016
6Y2J
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BU of 6y2j by Molmil
Crystal structure of M. tuberculosis KasA in complex with 4,4,4-trifluoro-N-(isoquinolin-6-yl)butane-1-sulfonamide
Descriptor: 3-oxoacyl-[acyl-carrier-protein] synthase 1, 4,4,4-tris(fluoranyl)-~{N}-isoquinolin-6-yl-butane-1-sulfonamide, SODIUM ION, ...
Authors:Chung, C.
Deposit date:2020-02-16
Release date:2020-04-08
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2.886 Å)
Cite:Exploring the SAR of the beta-Ketoacyl-ACP Synthase Inhibitor GSK3011724A and Optimization around a Genotoxic Metabolite.
Acs Infect Dis., 6, 2020
4QMO
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BU of 4qmo by Molmil
MST3 IN COMPLEX WITH Imidazolo-oxindole PKR inhibitor C16
Descriptor: (8Z)-8-(1H-imidazol-5-ylmethylidene)-6,8-dihydro-7H-[1,3]thiazolo[5,4-e]indol-7-one, 1,2-ETHANEDIOL, CHLORIDE ION, ...
Authors:Olesen, S.H, Watts, C, Zhu, J.-Y, Schonbrunn, E.
Deposit date:2014-06-16
Release date:2015-07-01
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.898 Å)
Cite:Discovery of Diverse Small-Molecule Inhibitors of Mammalian Sterile20-like Kinase 3 (MST3).
Chemmedchem, 11, 2016
7T21
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BU of 7t21 by Molmil
E. coli DnaB bound to ssDNA and ADP-AlF4
Descriptor: ADENOSINE-5'-DIPHOSPHATE, DNA (5'-D(*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*T)-3'), MAGNESIUM ION, ...
Authors:Oakley, A.J, Xu, Z.Q.
Deposit date:2021-12-02
Release date:2023-01-18
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (5.4 Å)
Cite:Sequence of conformation changes of DnaB helicase during DNA unwinding and priming in Escherichia coli
To Be Published
7T23
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BU of 7t23 by Molmil
E. coli DnaB bound to two DnaG C-terminal domains, ssDNA, ADP and AlF4
Descriptor: ADENOSINE-5'-DIPHOSPHATE, DNA (5'-D(*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*T)-3'), DNA primase, ...
Authors:Oakley, A.J, Xu, Z.Q.
Deposit date:2021-12-02
Release date:2023-01-18
Last modified:2023-05-31
Method:ELECTRON MICROSCOPY (4.2 Å)
Cite:Sequence of conformation changes of DnaB helicase during DNA unwinding and priming in Escherichia coli
To Be Published
7TAY
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BU of 7tay by Molmil
Bos Taurus Mitochondrial BC1 in complex with Pyramoxadone
Descriptor: (2R)-3-{[(S)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(tetradecanoyloxy)propyl octadecanoate, (5S)-3-anilino-5-methyl-5-(6-phenoxypyridin-3-yl)-1,3-oxazolidine-2,4-dione, 1,2-DIHEXANOYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE, ...
Authors:Xia, D, Zhou, F, Esser, L.
Deposit date:2021-12-21
Release date:2023-01-18
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Conformation Switch of Rieske ISP subunit is revealed by the Crystal Structure of Bacterial Cytochrome bc1 in Complex with Azoxystrobin
to be published
6N95
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BU of 6n95 by Molmil
Methylmalonyl-CoA decarboxylase in complex with 2-sulfonate-propionyl-CoA
Descriptor: (2R)-sulfonatepropionyl-CoA, (2S)-sulfonatepropionyl-CoA, DI(HYDROXYETHYL)ETHER, ...
Authors:Stunkard, L.M, Dixon, A.D, Huth, T.J, Lohman, J.R.
Deposit date:2018-11-30
Release date:2019-04-10
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.798 Å)
Cite:Sulfonate/Nitro Bearing Methylmalonyl-Thioester Isosteres Applied to Methylmalonyl-CoA Decarboxylase Structure-Function Studies.
J. Am. Chem. Soc., 141, 2019
7T22
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BU of 7t22 by Molmil
E. coli DnaB bound to three DnaG C-terminal domains, ssDNA, ADP and AlF4
Descriptor: ADENOSINE-5'-DIPHOSPHATE, DNA (5'-D(*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*T)-3'), DNA primase, ...
Authors:Oakley, A.J, Xu, Z.Q.
Deposit date:2021-12-02
Release date:2023-01-18
Last modified:2023-05-31
Method:ELECTRON MICROSCOPY (4.2 Å)
Cite:Sequence of conformation changes of DnaB helicase during DNA unwinding and priming in Escherichia coli
To Be Published
5OBM
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BU of 5obm by Molmil
Crystal structure of Gentamicin bound to the yeast 80S ribosome
Descriptor: (2R,3R,4R,5R)-2-((1S,2S,3R,4S,6R)-4,6-DIAMINO-3-((2R,3R,6S)-3-AMINO-6-(AMINOMETHYL)-TETRAHYDRO-2H-PYRAN-2-YLOXY)-2-HYDR OXYCYCLOHEXYLOXY)-5-METHYL-4-(METHYLAMINO)-TETRAHYDRO-2H-PYRAN-3,5-DIOL, 18S ribosomal RNA, 25S ribosomal RNA, ...
Authors:Prokhorova, I, Djumagulov, M, Urzhumtsev, A, Yusupov, M, Yusupova, G.
Deposit date:2017-06-28
Release date:2017-12-13
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Aminoglycoside interactions and impacts on the eukaryotic ribosome.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
6YEC
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BU of 6yec by Molmil
E.coli's Putrescine receptor PotF complexed with Spermine
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Shanmugaratnam, S, Kroeger, P, Hocker, B.
Deposit date:2020-03-24
Release date:2021-01-20
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:A comprehensive binding study illustrates ligand recognition in the periplasmic binding protein PotF.
Structure, 29, 2021
6MQ4
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BU of 6mq4 by Molmil
GH5-4 broad specificity endoglucanase from Hungateiclostridium cellulolyticum
Descriptor: DI(HYDROXYETHYL)ETHER, TETRAETHYLENE GLYCOL, TRIETHYLENE GLYCOL, ...
Authors:Bingman, C.A, Smith, R.W, Glasgow, E.M, Fox, B.G.
Deposit date:2018-10-09
Release date:2019-11-13
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:A structural and kinetic survey of GH5_4 endoglucanases reveals determinants of broad substrate specificity and opportunities for biomass hydrolysis.
J.Biol.Chem., 295, 2020
8AUC
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BU of 8auc by Molmil
Structure of peptidoglycan hydrolase Cg1735 from Corynebacterium glutamicum, trigonal crystal form
Descriptor: Cell wall-associated hydrolases (Invasion-associated proteins), TETRACHLOROPLATINATE(II)
Authors:Gaday, Q, Wehenkel, A.M, Alzari, P.M, Legrand, P.
Deposit date:2022-08-25
Release date:2023-01-18
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:FtsEX-independent control of RipA-mediated cell separation in Corynebacteriales.
Proc.Natl.Acad.Sci.USA, 119, 2022
6YI1
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BU of 6yi1 by Molmil
Crystal structure of human glutaminyl cyclase in complex with Glu(gamma-hydrazide)-Phe-Ala
Descriptor: 1,4-DIETHYLENE DIOXIDE, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, DI(HYDROXYETHYL)ETHER, ...
Authors:Kupski, O, Sautner, V, Tittmann, K.
Deposit date:2020-03-31
Release date:2020-07-01
Last modified:2024-07-10
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Hydrazides Are Potent Transition-State Analogues for Glutaminyl Cyclase Implicated in the Pathogenesis of Alzheimer's Disease.
Biochemistry, 59, 2020
7SPQ
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BU of 7spq by Molmil
Crystal structure of Burkholderia glumae toxoflavin biosynthesis protein ToxD
Descriptor: CALCIUM ION, CITRIC ACID, PENTAETHYLENE GLYCOL, ...
Authors:Fenwick, M.K, Philmus, B, Ealick, S.E.
Deposit date:2021-11-03
Release date:2023-05-10
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of Burkholderia glumae toxoflavin biosynthesis protein ToxD
To Be Published
5OGL
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BU of 5ogl by Molmil
Structure of bacterial oligosaccharyltransferase PglB in complex with an acceptor peptide and an lipid-linked oligosaccharide analog
Descriptor: MANGANESE (II) ION, SODIUM ION, Substrate mimicking peptide, ...
Authors:Napiorkowska, M, Boilevin, J, Sovdat, T, Darbre, T, Reymond, J.-L, Aebi, M, Locher, K.P.
Deposit date:2017-07-13
Release date:2017-10-25
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Molecular basis of lipid-linked oligosaccharide recognition and processing by bacterial oligosaccharyltransferase.
Nat. Struct. Mol. Biol., 24, 2017
8AWZ
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BU of 8awz by Molmil
Crystal structure of Trametes versicolor glutathione transferase Omega 3S in complex with dinitrosyl glutathionyl iron complex (DNGIC)
Descriptor: CALCIUM ION, DI(HYDROXYETHYL)ETHER, FE (III) ION, ...
Authors:Schwartz, M, Didierjean, C.
Deposit date:2022-08-30
Release date:2023-03-01
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.549 Å)
Cite:Structural insights into the interactions of glutathione transferases with a nitric oxide carrier and sodium nitroprusside.
Biochem.Biophys.Res.Commun., 649, 2023
5OOD
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BU of 5ood by Molmil
Cryo-EM structure of jasplakinolide-stabilized F-actin in complex with ADP-Pi
Descriptor: (4~{R},7~{R},10~{S},13~{S},15~{E},19~{S})-10-(4-azanylbutyl)-4-(4-hydroxyphenyl)-7-(1~{H}-indol-3-ylmethyl)-8,13,15,19-tetramethyl-1-oxa-5,8,11-triazacyclononadec-15-ene-2,6,9,12-tetrone, ADENOSINE-5'-DIPHOSPHATE, Actin, ...
Authors:Merino, F, Pospich, S, Funk, J, Kuellmer, F, Arndt, H.-D, Bieling, P, Raunser, S.
Deposit date:2017-08-07
Release date:2018-06-13
Last modified:2019-12-04
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Structural transitions of F-actin upon ATP hydrolysis at near-atomic resolution revealed by cryo-EM.
Nat. Struct. Mol. Biol., 25, 2018
6VCL
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BU of 6vcl by Molmil
Crystal structure of E.coli RppH-DapF in complex with pppGpp, Mg2+ and F-
Descriptor: CHLORIDE ION, Diaminopimelate epimerase, FLUORIDE ION, ...
Authors:Gao, A, Vasilyev, N, Kaushik, A, Duan, W, Serganov, A.
Deposit date:2019-12-21
Release date:2020-02-05
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:Principles of RNA and nucleotide discrimination by the RNA processing enzyme RppH.
Nucleic Acids Res., 48, 2020
6VD0
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BU of 6vd0 by Molmil
Crystal structure of Arabidopsis thaliana S-adenosylmethionine Synthase 2 (AtMAT2) in complex with free Methionine and AMPCPP
Descriptor: 3[N-MORPHOLINO]PROPANE SULFONIC ACID, DI(HYDROXYETHYL)ETHER, DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, ...
Authors:Sekula, B, Ruszkowski, M, Dauter, Z.
Deposit date:2019-12-23
Release date:2020-02-26
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2 Å)
Cite:S-adenosylmethionine synthases in plants: Structural characterization of type I and II isoenzymes from Arabidopsis thaliana and Medicago truncatula.
Int.J.Biol.Macromol., 151, 2020

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PDB entries from 2024-07-17

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