6NG8
 
 | | Structure of human neuronal nitric oxide synthase R354A/G357D mutant heme domain in complex with 6-(5-(3-(dimethylamino)propyl)-2,3-difluorophenethyl)-4-methylpyridin-2-amine | | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, 6-(2-{5-[3-(dimethylamino)propyl]-2,3-difluorophenyl}ethyl)-4-methylpyridin-2-amine, Nitric oxide synthase, ... | | 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 (1.9 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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6NGI
 | | Structure of human neuronal nitric oxide synthase R354A/G357D mutant 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, 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 (1.8 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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6NGV
 | | Structure of rat neuronal nitric oxide synthase heme domain in complex with 6-(3-(3-(dimethylamino)propyl)-2,5,6-trifluorophenethyl)-4-methylpyridin-2-amine | | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, 6-(2-{3-[3-(dimethylamino)propyl]-2,5,6-trifluorophenyl}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 (1.829 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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6XDK
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4GL7
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3GB7
 | | Potassium Channel KcsA-Fab complex in Li+ | | Descriptor: | DIACYL GLYCEROL, NICKEL (II) ION, Voltage-gated potassium channel, ... | | Authors: | Thompson, A.N, Ilsoo, K, Panosian, T.D, Iverson, T.M, Allen, T.W, Nimigean, C.M. | | Deposit date: | 2009-02-18 | | Release date: | 2009-11-17 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | Mechanism of potassium-channel selectivity revealed by Na(+) and Li(+) binding sites within the KcsA pore.
Nat.Struct.Mol.Biol., 16, 2009
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6NH7
 | | Structure of human endothelial nitric oxide synthase heme domain in complex with 6-(3-(3-(dimethylamino)propyl)-2,5,6-trifluorophenethyl)-4-methylpyridin-2-amine | | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 6-(2-{3-[3-(dimethylamino)propyl]-2,5,6-trifluorophenyl}ethyl)-4-methylpyridin-2-amine, Endothelial nitric oxide synthase splice variant eNOS13A, ... | | Authors: | Chreifi, G, Li, H, Poulos, T.L. | | Deposit date: | 2018-12-21 | | Release date: | 2019-03-13 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.9 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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4M7P
 | | Ensemble refinement of protein crystal structure of macrolide glycosyltransferases OleD | | Descriptor: | Oleandomycin glycosyltransferase, SODIUM ION | | Authors: | Wang, F, Helmich, K.E, Xu, W, Singh, S, Olmos Jr, J.L, Martinez iii, E, Bingman, C.A, Thorson, J.S, Phillips Jr, G.N, Enzyme Discovery for Natural Product Biosynthesis (NatPro) | | Deposit date: | 2013-08-12 | | Release date: | 2013-09-11 | | Method: | X-RAY DIFFRACTION (1.77 Å) | | Cite: | Crystal structure of macrolide glycosyltransferases OleD
To be Published
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6XGF
 | | Escherichia coli transcription-translation complex B (TTC-B) containing an 30 nt long mRNA spacer, NusG, and fMet-tRNAs at E-site and P-site | | Descriptor: | 16S rRNA, 23S rRNA, 30S ribosomal protein S1, ... | | Authors: | Molodtsov, V, Wang, C, Su, M, Ebright, R.H. | | Deposit date: | 2020-06-17 | | Release date: | 2020-09-02 | | Last modified: | 2020-09-23 | | Method: | ELECTRON MICROSCOPY (5 Å) | | Cite: | Structural basis of transcription-translation coupling.
Science, 369, 2020
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6NHF
 | | Structure of human endothelial 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: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5,6,7,8-TETRAHYDROBIOPTERIN, 6-[2-(2,3-difluoro-5-{2-[(2S)-1-methylazetidin-2-yl]ethyl}phenyl)ethyl]-4-methylpyridin-2-amine, ... | | Authors: | Chreifi, G, Li, H, Poulos, T.L. | | Deposit date: | 2018-12-21 | | Release date: | 2019-03-13 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.83 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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3G4F
 | | Crystal Structure of (+)- -Cadinene Synthase from Gossypium arboreum in complex with 2-fluorofarnesyl diphosphate | | Descriptor: | (+)-delta-cadinene synthase isozyme XC1, (2Z,6E)-2-fluoro-3,7,11-trimethyldodeca-2,6,10-trien-1-yl trihydrogen diphosphate, BETA-MERCAPTOETHANOL, ... | | Authors: | Gennadios, H.A, Di Costanzo, L, Christianson, D.W. | | Deposit date: | 2009-02-03 | | Release date: | 2009-06-23 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.651 Å) | | Cite: | Crystal structure of (+)-delta-cadinene synthase from Gossypium arboreum and evolutionary divergence of metal binding motifs for catalysis.
Biochemistry, 48, 2009
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7A96
 | | SARS-CoV-2 Spike Glycoprotein with 1 ACE2 Bound and 1 RBD Erect in Anticlockwise Direction | | Descriptor: | Angiotensin-converting enzyme 2, Spike glycoprotein | | Authors: | Benton, D.J, Wrobel, A.G, Rosenthal, P.B, Gamblin, S.J. | | Deposit date: | 2020-09-01 | | Release date: | 2020-09-16 | | Last modified: | 2020-12-16 | | Method: | ELECTRON MICROSCOPY (4.8 Å) | | Cite: | Receptor binding and priming of the spike protein of SARS-CoV-2 for membrane fusion.
Nature, 588, 2020
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6XKT
 | | R. capsulatus cyt bc1 with both FeS proteins in c position (CIII2 c-c) | | Descriptor: | Cytochrome b, Cytochrome c1, FE2/S2 (INORGANIC) CLUSTER, ... | | Authors: | Steimle, S, Van Eeuwen, T, Ozturk, Y, Kim, H.J, Braitbard, M, Selamoglu, N, Garcia, B.A, Schneidman-Duhovny, D, Murakami, K, Daldal, F. | | Deposit date: | 2020-06-27 | | Release date: | 2020-12-30 | | Last modified: | 2021-03-03 | | Method: | ELECTRON MICROSCOPY (3.75 Å) | | Cite: | Cryo-EM structures of engineered active bc 1 -cbb 3 type CIII 2 CIV super-complexes and electronic communication between the complexes.
Nat Commun, 12, 2021
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7A97
 | | SARS-CoV-2 Spike Glycoprotein with 2 ACE2 Bound | | Descriptor: | Angiotensin-converting enzyme 2, Spike glycoprotein | | Authors: | Benton, D.J, Wrobel, A.G, Rosenthal, P.B, Gamblin, S.J. | | Deposit date: | 2020-09-01 | | Release date: | 2020-09-16 | | Last modified: | 2020-12-16 | | Method: | ELECTRON MICROSCOPY (4.4 Å) | | Cite: | Receptor binding and priming of the spike protein of SARS-CoV-2 for membrane fusion.
Nature, 588, 2020
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3GD8
 | | Crystal Structure of Human Aquaporin 4 at 1.8 and its Mechanism of Conductance | | Descriptor: | Aquaporin-4, GLYCEROL, octyl beta-D-glucopyranoside | | Authors: | Ho, J.D, Yeh, R, Sandstrom, A, Chorny, I, Harries, W.E.C, Robbins, R.A, Miercke, L.J.W, Stroud, R.M, Center for Structures of Membrane Proteins (CSMP) | | Deposit date: | 2009-02-23 | | Release date: | 2009-03-31 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal structure of human aquaporin 4 at 1.8 A and its mechanism of conductance.
Proc.Natl.Acad.Sci.USA, 106, 2009
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6ZQM
 | | bovine ATP synthase monomer state 2 (combined) | | Descriptor: | 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ... | | Authors: | Spikes, T.E, Montgomery, M.G, Walker, J.E. | | Deposit date: | 2020-07-10 | | Release date: | 2020-09-09 | | Last modified: | 2020-09-30 | | Method: | ELECTRON MICROSCOPY (3.29 Å) | | Cite: | Structure of the dimeric ATP synthase from bovine mitochondria.
Proc.Natl.Acad.Sci.USA, 117, 2020
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6XMP
 | | Structure of P5A-ATPase Spf1, Apo form | | Descriptor: | DODECYL-BETA-D-MALTOSIDE, P5A-type ATPase | | Authors: | Park, E, Sim, S.I. | | Deposit date: | 2020-06-30 | | Release date: | 2020-09-23 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | The endoplasmic reticulum P5A-ATPase is a transmembrane helix dislocase.
Science, 369, 2020
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7K41
 | | Bacterial O-GlcNAcase (OGA) with compound | | Descriptor: | 1,2-ETHANEDIOL, 4-(4-methylpiperidin-1-yl)-N-(2-phenylethyl)pyrimidin-2-amine, ACETATE ION, ... | | Authors: | Lane, W, Tjhen, R, Snell, G, Sang, B. | | Deposit date: | 2020-09-14 | | Release date: | 2021-01-13 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Discovery of a Novel and Brain-Penetrant O -GlcNAcase Inhibitor via Virtual Screening, Structure-Based Analysis, and Rational Lead Optimization.
J.Med.Chem., 64, 2021
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4LWB
 | | Structure of Bacillus subtilis nitric oxide synthase in complex with 6-((((3R,5S)-5-(((6-amino-4-methylpyridin-2-yl)methoxy)methyl)pyrrolidin-3-yl)oxy)methyl)-4-methylpyridin-2-amine | | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, 6-({[(3R,5S)-5-{[(6-amino-4-methylpyridin-2-yl)methoxy]methyl}pyrrolidin-3-yl]oxy}methyl)-4-methylpyridin-2-amine, CHLORIDE ION, ... | | Authors: | Holden, J.K, Li, H, Poulos, T.L. | | Deposit date: | 2013-07-26 | | Release date: | 2013-10-23 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Structural and biological studies on bacterial nitric oxide synthase inhibitors.
Proc.Natl.Acad.Sci.USA, 110, 2013
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4GOL
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6NFU
 | | Structure of the KcsA-G77A mutant or the 2,4-ion bound configuration of a K+ channel selectivity filter. | | Descriptor: | (1S)-2-HYDROXY-1-[(NONANOYLOXY)METHYL]ETHYL MYRISTATE, NONAN-1-OL, POTASSIUM ION, ... | | Authors: | Tilegenova, C, Cortes, D.M, Jahovic, N, Hardy, E, Parameswaran, H, Guan, L, Cuello, L.G. | | Deposit date: | 2018-12-20 | | Release date: | 2019-08-07 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.09 Å) | | Cite: | Structure, function, and ion-binding properties of a K+channel stabilized in the 2,4-ion-bound configuration.
Proc.Natl.Acad.Sci.USA, 116, 2019
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7JYI
 | | Subparticle Map of ZIKV MR-766 | | Descriptor: | E Glycoprotein, M protein | | Authors: | Jose, J, Hafenstein, S. | | Deposit date: | 2020-08-30 | | Release date: | 2020-09-16 | | Last modified: | 2020-10-14 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Identification of a pocket factor that is critical to Zika virus assembly.
Nat Commun, 11, 2020
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3G7F
 | | Crystal structure of Blastochloris viridis heterodimer mutant reaction center | | Descriptor: | 15-cis-1,2-dihydroneurosporene, BACTERIOCHLOROPHYLL B, BACTERIOPHEOPHYTIN B, ... | | Authors: | Ponomarenko, N.S, Li, L, Tereshko, V, Ismagilov, R.F, Norris Jr, J.R. | | Deposit date: | 2009-02-09 | | Release date: | 2009-09-22 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural and spectropotentiometric analysis of Blastochloris viridis heterodimer mutant reaction center
Biochim.Biophys.Acta, 1788, 2009
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6XNX
 | | Structure of RAG1 (R848M/E649V)-RAG2-DNA Strand Transfer Complex (Dynamic-Form) | | Descriptor: | 12RSS integration strand DNA (55-MER), 12RSS signal top strand DNA (34-MER), 23RSS integration strand DNA (66-MER), ... | | Authors: | Zhang, Y, Corbett, E, Wu, S, Schatz, D.G. | | Deposit date: | 2020-07-05 | | Release date: | 2020-08-26 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (2.7 Å) | | Cite: | Structural basis for the activation and suppression of transposition during evolution of the RAG recombinase.
Embo J., 39, 2020
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6NG1
 | | Structure of human neuronal nitric oxide synthase R354A/G357D mutant heme domain in complex with 6-(3-fluoro-5-(3-(methylamino)prop-1-yn-1-yl)phenethyl)-4-methylpyridin-2-amine | | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, 6-(2-{3-fluoro-5-[3-(methylamino)prop-1-yn-1-yl]phenyl}ethyl)-4-methylpyridin-2-amine, Nitric oxide synthase, ... | | 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 (2.15 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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