6ZG0
 
 | | SARM1 SAM1-2 domains | | Descriptor: | 1,2-ETHANEDIOL, BETA-MERCAPTOETHANOL, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Sporny, M, Guez-Haddad, J, Khazma, T, Yaron, A, Dessau, M, Mim, C, Isupov, M.N, Zalk, R, Hons, M, Opatowsky, Y. | | Deposit date: | 2020-06-18 | | Release date: | 2020-11-11 | | Last modified: | 2020-12-09 | | Method: | ELECTRON MICROSCOPY (7.7 Å) | | Cite: | Structural basis for SARM1 inhibition and activation under energetic stress.
Elife, 9, 2020
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3HXI
 | | Crystal structure of Schistosome eIF4E complexed with m7GpppG and 4E-BP | | Descriptor: | 7-METHYL-GUANOSINE-5'-TRIPHOSPHATE-5'-GUANOSINE, Eukaryotic Translation Initiation 4E, Eukaryotic translation initiation factor 4E-binding protein 1 | | Authors: | Liu, W, Zhao, R, Jones, D.N.M, Davis, R.E. | | Deposit date: | 2009-06-20 | | Release date: | 2009-08-25 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural insights into parasite EIF4E binding specificity for m7G and m2,2,7G mRNA cap.
J.Biol.Chem., 284, 2009
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7AIO
 | | Structure of Human Potassium Chloride Transporter KCC3 S45D/T940D/T997D in NaCl (Subclass) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Solute carrier family 12 member 6, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | | Authors: | Chi, G, Man, H, Ebenhoch, R, Reggiano, G, Pike, A.C.W, Wang, D, McKinley, G, Mukhopadhyay, S.M.M, MacLean, E.M, Chalk, R, Moreau, C, Snee, M, Bohstedt, T, Singh, N.K, Abrusci, P, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Marsden, B.D, Burgess-Brown, N.A, DiMaio, F, Duerr, K.L, Structural Genomics Consortium (SGC) | | Deposit date: | 2020-09-28 | | Release date: | 2021-06-02 | | Last modified: | 2021-07-28 | | Method: | ELECTRON MICROSCOPY (3.31 Å) | | Cite: | Phospho-regulation, nucleotide binding and ion access control in potassium-chloride cotransporters.
Embo J., 40, 2021
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7AMZ
 | | Crystal structure of human Butyrylcholinesterase in complex with N-((2S,3R)-4-((2,2-dimethylpropyl)amino)-3-hydroxy-1-phenylbutan-2-yl)-2,2-diphenylacetamide | | Descriptor: | 2,2-dimethylpropyl-[(2~{R},3~{S})-3-(2,2-diphenylethanoylamino)-2-oxidanyl-4-phenyl-butyl]azanium, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Brazzolotto, X, Pasieka, A, Panek, D, Wieckowska, A. | | Deposit date: | 2020-10-10 | | Release date: | 2021-05-26 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Discovery of multifunctional anti-Alzheimer's agents with a unique mechanism of action including inhibition of the enzyme butyrylcholinesterase and gamma-aminobutyric acid transporters.
Eur.J.Med.Chem., 218, 2021
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4JHD
 | | Crystal Structure of an Actin Dimer in Complex with the Actin Nucleator Cordon-Bleu | | Descriptor: | Actin-5C, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | | Authors: | Chen, X, Ni, F, Wang, Q. | | Deposit date: | 2013-03-04 | | Release date: | 2013-06-19 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.91 Å) | | Cite: | Structural basis of actin filament nucleation by tandem w domains.
Cell Rep, 3, 2013
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6NGE
 | | Structure of human neuronal nitric oxide synthase R354A/G357D mutant heme domain in complex with 6-(2,3-difluoro-5-(3-(methylamino)prop-1-yn-1-yl)phenethyl)-4-methylpyridin-2-amine | | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, 6-(2-{2,3-difluoro-5-[3-(methylamino)prop-1-yn-1-yl]phenyl}ethyl)-4-methylpyridin-2-amine, GLYCEROL, ... | | Authors: | Li, H, Poulos, T.L. | | Deposit date: | 2018-12-21 | | Release date: | 2019-03-13 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.102 Å) | | Cite: | Optimization of Blood-Brain Barrier Permeability with Potent and Selective Human Neuronal Nitric Oxide Synthase Inhibitors Having a 2-Aminopyridine Scaffold.
J. Med. Chem., 62, 2019
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6NQ0
 | | Cryo-EM structure of human TPC2 channel in the ligand-bound open state | | Descriptor: | (2R)-3-{[(S)-hydroxy{[(1S,2R,3R,4S,5S,6R)-2,4,6-trihydroxy-3,5-bis(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}propane-1,2-diyl dioctanoate, Two pore calcium channel protein 2 | | Authors: | She, J, Zeng, W, Guo, J, Chen, Q, Bai, X, Jiang, Y. | | Deposit date: | 2019-01-18 | | Release date: | 2019-03-27 | | Last modified: | 2019-11-20 | | Method: | ELECTRON MICROSCOPY (3.7 Å) | | Cite: | Structural mechanisms of phospholipid activation of the human TPC2 channel.
Elife, 8, 2019
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4JIT
 | | Crystal Structure of E. coli XGPRT in complex with (S)-3-(Guanin-9-yl)pyrrolidin-N-ylacetylphosphonic acid | | Descriptor: | Xanthine phosphoribosyltransferase, {2-[(3S)-3-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)pyrrolidin-1-yl]-2-oxoethyl}phosphonic acid | | Authors: | Keough, D.T, Hockova, D, Rejman, D, Spacek, P, Vrbkova, S, Krecmerova, M, Eng, W.S, Jans, H, West, N.P, Naesens, L.M.J, de Jersey, J, Guddat, L.W. | | Deposit date: | 2013-03-07 | | Release date: | 2014-12-24 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Inhibition of the Escherichia coli 6-oxopurine phosphoribosyltransferases by nucleoside phosphonates: potential for new antibacterial agents.
J.Med.Chem., 56, 2013
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6NGQ
 | | Structure of rat neuronal nitric oxide synthase heme domain in complex with 6-(3-fluoro-5-(2-((2R,4S)-4-fluoropyrrolidin-2-yl)ethyl)phenethyl)-4-methylpyridin-2-amine | | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, 6-[2-(3-fluoro-5-{2-[(2R,4S)-4-fluoropyrrolidin-2-yl]ethyl}phenyl)ethyl]-4-methylpyridin-2-amine, ACETATE ION, ... | | Authors: | Li, H, Poulos, T.L. | | Deposit date: | 2018-12-21 | | Release date: | 2019-03-13 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Optimization of Blood-Brain Barrier Permeability with Potent and Selective Human Neuronal Nitric Oxide Synthase Inhibitors Having a 2-Aminopyridine Scaffold.
J. Med. Chem., 62, 2019
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7AIN
 | | Structure of Human Potassium Chloride Transporter KCC3 S45D/T940D/T997D in NaCl (Reference Map) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Isoform 2 of Solute carrier family 12 member 6, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | | Authors: | Chi, G, Man, H, Ebenhoch, R, Reggiano, G, Pike, A.C.W, Wang, D, McKinley, G, Mukhopadhyay, S.M.M, MacLean, E.M, Chalk, R, Moreau, C, Snee, M, Bohstedt, T, Singh, N.K, Abrusci, P, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Marsden, B.D, Burgess-Brown, N.A, DiMaio, F, Duerr, K.L, Structural Genomics Consortium (SGC) | | Deposit date: | 2020-09-28 | | Release date: | 2021-06-02 | | Last modified: | 2021-07-28 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Phospho-regulation, nucleotide binding and ion access control in potassium-chloride cotransporters.
Embo J., 40, 2021
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6NH0
 | | Structure of rat neuronal nitric oxide synthase heme domain in complex with (S)-6-(2,3-difluoro-5-(2-(4-methylmorpholin-3-yl)ethyl)phenethyl)-4-methylpyridin-2-amine | | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, 6-[2-(2,3-difluoro-5-{2-[(3S)-4-methylmorpholin-3-yl]ethyl}phenyl)ethyl]-4-methylpyridin-2-amine, ACETATE ION, ... | | Authors: | Li, H, Poulos, T.L. | | Deposit date: | 2018-12-21 | | Release date: | 2019-03-13 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.898 Å) | | Cite: | Optimization of Blood-Brain Barrier Permeability with Potent and Selective Human Neuronal Nitric Oxide Synthase Inhibitors Having a 2-Aminopyridine Scaffold.
J. Med. Chem., 62, 2019
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7B54
 | | VAR2CSA full ectodomain in present of plCS, DBL1-DBL4 | | Descriptor: | VAR2CSA in presence of plCS, DBl1-DBL4,Erythrocyte membrane protein 1 | | Authors: | Wang, K.T, Dagil, R, Gourdon, P.E, Salanti, A. | | Deposit date: | 2020-12-03 | | Release date: | 2021-06-02 | | Last modified: | 2022-05-25 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Cryo-EM reveals the architecture of placental malaria VAR2CSA and provides molecular insight into chondroitin sulfate binding.
Nat Commun, 12, 2021
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6NHD
 | | Structure of rat neuronal nitric oxide synthase heme domain in complex with (S)-6-(2,3-difluoro-5-(2-(1-methylazetidin-2-yl)ethyl)phenethyl)-4-methylpyridin-2-amine | | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, 6-[2-(2,3-difluoro-5-{2-[(2S)-1-methylazetidin-2-yl]ethyl}phenyl)ethyl]-4-methylpyridin-2-amine, ACETATE ION, ... | | Authors: | Li, H, Poulos, T.L. | | Deposit date: | 2018-12-21 | | Release date: | 2019-03-13 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Optimization of Blood-Brain Barrier Permeability with Potent and Selective Human Neuronal Nitric Oxide Synthase Inhibitors Having a 2-Aminopyridine Scaffold.
J. Med. Chem., 62, 2019
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7AIR
 | | Structure of Human Potassium Chloride Transporter KCC1 in NaCl (Subclass 2) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ADENOSINE-5'-TRIPHOSPHATE, ... | | Authors: | Ebenhoch, R, Chi, G, Man, H, Wang, D, McKinley, G, Mukhopadhyay, S.M.M, MacLean, E.M, Chalk, R, Moreau, C, Snee, M, Bohstedt, T, Singh, N.K, Abrusci, P, Liko, I, Tehan, B.G, Almeida, F.G, Arrowsmith, C.H, Tang, H, Robinson, C.V, Bountra, C, Edwards, A.M, Marsden, B.D, Burgess-Brown, N.A, Duerr, K.L, Structural Genomics Consortium (SGC) | | Deposit date: | 2020-09-28 | | Release date: | 2021-06-02 | | Last modified: | 2021-07-28 | | Method: | ELECTRON MICROSCOPY (3.66 Å) | | Cite: | Phospho-regulation, nucleotide binding and ion access control in potassium-chloride cotransporters.
Embo J., 40, 2021
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7AIQ
 | | Structure of Human Potassium Chloride Transporter KCC1 in NaCl (Subclass 1) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ADENOSINE-5'-TRIPHOSPHATE, Solute carrier family 12 member 4, ... | | Authors: | Ebenhoch, R, Chi, G, Man, H, Wang, D, McKinley, G, Mukhopadhyay, S.M.M, MacLean, E.M, Chalk, R, Moreau, C, Snee, M, Bohstedt, T, Singh, N.K, Abrusci, P, Liko, I, Tehan, B.G, Almeida, F.G, Arrowsmith, C.H, Tang, H, Robinson, C.V, Bountra, C, Edwards, A.M, Marsden, B.D, Burgess-Brown, N.A, Duerr, K.L, Structural Genomics Consortium (SGC) | | Deposit date: | 2020-09-28 | | Release date: | 2021-06-02 | | Last modified: | 2021-07-28 | | Method: | ELECTRON MICROSCOPY (3.72 Å) | | Cite: | Phospho-regulation, nucleotide binding and ion access control in potassium-chloride cotransporters.
Embo J., 40, 2021
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7AIP
 | | Structure of Human Potassium Chloride Transporter KCC1 in NaCl (Reference Map) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Ebenhoch, R, Chi, G, Man, H, Wang, D, McKinley, G, Mukhopadhyay, S.M.M, MacLean, E.M, Chalk, R, Moreau, C, Snee, M, Bohstedt, T, Liko, I, Tehan, B.G, Almeida, F.G, Elkins, J, Singh, N.K, Abrusci, P, Arrowsmith, C.H, Tang, H, Robinson, C.V, Bountra, C, Edwards, A.M, Marsden, B.D, Burgess-Brown, N.A, Duerr, K.L, Structural Genomics Consortium (SGC) | | Deposit date: | 2020-09-28 | | Release date: | 2021-06-02 | | Last modified: | 2021-07-28 | | Method: | ELECTRON MICROSCOPY (3.12 Å) | | Cite: | Phospho-regulation, nucleotide binding and ion access control in potassium-chloride cotransporters.
Embo J., 40, 2021
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6NMP
 | | SFX structure of oxidized cytochrome c oxidase at room temperature | | Descriptor: | (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(STEAROYLOXY)METHYL]ETHYL (5E,8E,11E,14E)-ICOSA-5,8,11,14-TETRAENOATE, (7R,17E,20E)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSA-17,20-DIEN-1-AMINIUM 4-OXIDE, ... | | Authors: | Rousseau, D.L, Yeh, S.-R, Ishigami, I. | | Deposit date: | 2019-01-11 | | Release date: | 2019-03-13 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Snapshot of an oxygen intermediate in the catalytic reaction of cytochromecoxidase.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
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7LXI
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3HIP
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3HHR
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7LJE
 | | Discovery of Spirohydantoins as Selective, Orally Bioavailable Inhibitors of p300/CBP Histone Acetyltransferases | | Descriptor: | 2-[4-[(3'R,4S)-3'-fluoro-1-[2-[(4-fluorophenyl)methyl-[(1S)-2,2,2-trifluoro-1-methyl-ethyl]amino]-2-oxo-ethyl]-2,5-dioxo-spiro[imidazolidine-4,1'-indane]-5'-yl]pyrazol-1-yl]-N-methyl-acetamide, Histone acetyltransferase p300 | | Authors: | Jakob, C.G. | | Deposit date: | 2021-01-29 | | Release date: | 2021-03-17 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.607 Å) | | Cite: | Discovery of spirohydantoins as selective, orally bioavailable inhibitors of p300/CBP histone acetyltransferases.
Bioorg.Med.Chem.Lett., 39, 2021
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6NTN
 | | Crystal Structure of Recombinant Human Acetylcholinesterase Inhibited by A-230 in Complex with the Reactivator, HI-6 | | Descriptor: | (S)-N-[(1E)-1-(diethylamino)ethylidene]-P-methylphosphonamidic fluoride, 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: | Bester, S.M, Guelta, M.A, Height, J.J, Pegan, S.D. | | Deposit date: | 2019-01-29 | | Release date: | 2020-07-01 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.697 Å) | | Cite: | Insights into inhibition of human acetylcholinesterase by Novichok, A-series Nerve Agents
To Be Published
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4JSJ
 | | Structure of rat neuronal nitric oxide synthase heme domain in complex with 6-(((5-(((3-fluorophenethyl)amino)methyl)pyridin-3-yl)oxy)methyl)-4-methylpyridin-2-amine | | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, 6-({[5-({[2-(3-fluorophenyl)ethyl]amino}methyl)pyridin-3-yl]oxy}methyl)-4-methylpyridin-2-amine, ACETATE ION, ... | | Authors: | Li, H, Poulos, T.L. | | Deposit date: | 2013-03-22 | | Release date: | 2013-08-07 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.92 Å) | | Cite: | In search of potent and selective inhibitors of neuronal nitric oxide synthase with more simple structures.
Bioorg.Med.Chem., 21, 2013
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6NQT
 | | GalNac-T2 soaked with UDP-sugar | | Descriptor: | MANGANESE (II) ION, Polypeptide N-acetylgalactosaminyltransferase 2, [[(2~{R},3~{S},4~{R},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{R},4~{R},5~{R},6~{R})-3-(hex-5-ynoylamino)-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl] hydrogen phosphate | | Authors: | Fernandez, D, Bertozzi, C.R, Schumann, B, Agbay, A. | | Deposit date: | 2019-01-21 | | Release date: | 2020-01-29 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (3.05 Å) | | Cite: | Bump-and-Hole Engineering Identifies Specific Substrates of Glycosyltransferases in Living Cells.
Mol.Cell, 78, 2020
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6X7F
 | | Cryo-EM structure of an Escherichia coli coupled transcription-translation complex B2 (TTC-B2) containing an mRNA with a 24 nt long spacer, transcription factors NusA and NusG, and fMet-tRNAs at P-site and E-site | | Descriptor: | 16S rRNA, 23S rRNA, 30S ribosomal protein S1, ... | | Authors: | Molodtsov, V, Ebright, R.H, Wang, C, Su, M. | | Deposit date: | 2020-05-29 | | Release date: | 2020-09-02 | | Last modified: | 2020-09-23 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Structural basis of transcription-translation coupling.
Science, 369, 2020
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