8TRN
 
 | | Actin 1 from T. gondii in filaments bound to MgADP and jasplakinolide | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Actin, Jasplakinolide, ... | | Authors: | Hvorecny, K.L, Sladewski, T.E, Heaslip, A.T, Kollman, J.M. | | Deposit date: | 2023-08-09 | | Release date: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Toxoplasma gondii actin filaments are tuned for rapid disassembly and turnover.
Nat Commun, 15, 2024
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8UFT
 | | Structure of human endothelial nitric oxide synthase P370N mutant heme domain in complex with 4-methyl-7-(4-methyl-2,3,4,5-tetrahydrobenzo[f][1,4]oxazepin-7-yl)quinolin-2-amine | | Descriptor: | (7M)-4-methyl-7-(4-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl)quinolin-2-amine, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5,6,7,8-TETRAHYDROBIOPTERIN, ... | | Authors: | Li, H, Poulos, T.L. | | Deposit date: | 2023-10-04 | | Release date: | 2024-03-13 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | Crystallographic and Computational Insights into Isoform-Selective Dynamics in Nitric Oxide Synthase.
Biochemistry, 63, 2024
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7D03
 | | S protein of SARS-CoV-2 in complex bound with FabP5A-2G7 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, IGL c2312_light_IGLV2-14_IGLJ2,IGL@ protein, ... | | Authors: | Yan, R.H, Zhang, Y.Y, Li, Y.N, Zhou, Q. | | Deposit date: | 2020-09-09 | | Release date: | 2021-03-10 | | Last modified: | 2021-05-19 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Structural basis for bivalent binding and inhibition of SARS-CoV-2 infection by human potent neutralizing antibodies.
Cell Res., 31, 2021
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2HM9
 | | Solution structure of dihydrofolate reductase complexed with trimethoprim, 33 structures | | Descriptor: | 2,4-DIAMINO-5-(3,4,5-TRIMETHOXY-BENZYL)-PYRIMIDIN-1-IUM, Dihydrofolate reductase | | Authors: | Polshakov, V.I, Birdsall, B. | | Deposit date: | 2006-07-11 | | Release date: | 2007-06-05 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | NMR structures of apo L.casei dihydrofolate reductase and its complexes with trimethoprim and NADPH. Contributions to positive cooperative binding from ligand-induced refolding, conformational changes and interligand hydrophobic interactions
Biochemistry, 2011
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7D0D
 | | S protein of SARS-CoV-2 in complex bound with P5A-3C12_2B | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of P5A-3C12, ... | | Authors: | Yan, R.H, Wang, R.K, Ju, B, Yu, J.F, Zhang, Y.Y, Liu, N, Wang, H.W, Wang, X.Q, Zhang, L.Q, Zhou, Q. | | Deposit date: | 2020-09-09 | | Release date: | 2021-03-10 | | Last modified: | 2021-05-19 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | Structural basis for bivalent binding and inhibition of SARS-CoV-2 infection by human potent neutralizing antibodies.
Cell Res., 31, 2021
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8UFS
 | | Structure of human endothelial nitric oxide synthase E361Q mutant heme domain obtain after soaking crystal with 4-methyl-7-(4-methyl-2,3,4,5-tetrahydrobenzo[f][1,4]oxazepin-7-yl)quinolin-2-amine dihydrochloride | | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5,6,7,8-TETRAHYDROBIOPTERIN, CALCIUM ION, ... | | Authors: | Li, H, Poulos, T.L. | | Deposit date: | 2023-10-04 | | Release date: | 2024-03-13 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Crystallographic and Computational Insights into Isoform-Selective Dynamics in Nitric Oxide Synthase.
Biochemistry, 63, 2024
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8U4S
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8U4R
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8TGH
 | | VMAT1 dimer with amphetamine and reserpine | | Descriptor: | (2S)-1-phenylpropan-2-amine, Chromaffin granule amine transporter, reserpine | | Authors: | Ye, J, Liu, B, Li, W. | | Deposit date: | 2023-07-12 | | Release date: | 2024-03-20 | | Last modified: | 2024-05-15 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Structural insights into vesicular monoamine storage and drug interactions.
Nature, 629, 2024
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8TGG
 | | VMAT1 dimer with MPP+ and reserpine | | Descriptor: | 1-methyl-4-phenylpyridin-1-ium, Chromaffin granule amine transporter, reserpine | | Authors: | Ye, J, Liu, B, Li, W. | | Deposit date: | 2023-07-12 | | Release date: | 2024-03-20 | | Last modified: | 2024-05-15 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | Structural insights into vesicular monoamine storage and drug interactions.
Nature, 629, 2024
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8TGL
 | | VMAT1 dimer with norepinephrine and reserpine | | Descriptor: | Chromaffin granule amine transporter, L-NOREPINEPHRINE, reserpine | | Authors: | Ye, J, Liu, B, Li, W. | | Deposit date: | 2023-07-12 | | Release date: | 2024-03-20 | | Last modified: | 2024-05-15 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Structural insights into vesicular monoamine storage and drug interactions.
Nature, 629, 2024
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7DN3
 | | Structure of Human RNA Polymerase III elongation complex | | Descriptor: | DNA (5'-D(P*TP*CP*GP*TP*CP*TP*GP*AP*TP*CP*TP*CP*GP*GP*AP*A)-3'), DNA (5'-D(P*TP*TP*CP*CP*GP*AP*GP*AP*TP*CP*AP*GP*AP*CP*GP*AP*GP*AP*TP*CP*GP*GP*G)-3'), DNA-directed RNA polymerase III subunit RPC1, ... | | Authors: | Li, L, Yu, Z, Zhao, D, Ren, Y, Hou, H, Xu, Y. | | Deposit date: | 2020-12-08 | | Release date: | 2021-03-17 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Structure of human RNA polymerase III elongation complex.
Cell Res., 31, 2021
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8TI1
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2HN2
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2HNY
 | | Crystal Structure of E138K Mutant HIV-1 Reverse Transcriptase in Complex with Nevirapine | | Descriptor: | 11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-6-ONE, MAGNESIUM ION, PHOSPHATE ION, ... | | Authors: | Ren, J, Nichols, C.E, Stamp, A, Chamberlain, P.P, Stammers, D.K. | | Deposit date: | 2006-07-13 | | Release date: | 2006-09-05 | | Last modified: | 2021-10-20 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural insights into mechanisms of non-nucleoside drug resistance for HIV-1 reverse transcriptases mutated at codons 101 or 138.
Febs J., 273, 2006
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2HOI
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8UFU
 | | Structure of human endothelial nitric oxide synthase heme domain in complex with 7-(9-amino-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)-4-methylquinolin-2-amine | | Descriptor: | (7M)-7-[(9S)-9-amino-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl]-4-methylquinolin-2-amine, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, ... | | Authors: | Li, H, Poulos, T.L. | | Deposit date: | 2023-10-04 | | Release date: | 2024-03-13 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Crystallographic and Computational Insights into Isoform-Selective Dynamics in Nitric Oxide Synthase.
Biochemistry, 63, 2024
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2HOF
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8TGI
 | | VMAT1 dimer with dopamine and reserpine | | Descriptor: | Chromaffin granule amine transporter, L-DOPAMINE, reserpine | | Authors: | Ye, J, Liu, B, Li, W. | | Deposit date: | 2023-07-12 | | Release date: | 2024-03-20 | | Last modified: | 2024-05-15 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Structural insights into vesicular monoamine storage and drug interactions.
Nature, 629, 2024
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2HPC
 | | Crystal structure of fragment D from Human Fibrinogen Complexed with Gly-Pro-Arg-Pro-amide. | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Fibrinogen alpha chain, ... | | Authors: | Doolittle, R.F, Kollman, J.M, Chen, A, Pandi, L. | | Deposit date: | 2006-07-17 | | Release date: | 2007-05-29 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: |
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8TGK
 | | VMAT1 dimer with histamine and reserpine | | Descriptor: | Chromaffin granule amine transporter, HISTAMINE, reserpine | | Authors: | Ye, J, Liu, B, Li, W. | | Deposit date: | 2023-07-12 | | Release date: | 2024-03-20 | | Last modified: | 2024-05-15 | | Method: | ELECTRON MICROSCOPY (3.7 Å) | | Cite: | Structural insights into vesicular monoamine storage and drug interactions.
Nature, 629, 2024
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7EPZ
 | | Overall structure of Erastin-bound xCT-4F2hc complex | | Descriptor: | 1,2-DISTEAROYL-SN-GLYCERO-3-PHOSPHATE, 2-[(1S)-1-[4-[2-(4-chloranylphenoxy)ethanoyl]piperazin-1-yl]ethyl]-3-(2-ethoxyphenyl)quinazolin-4-one, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Yan, R.H, Li, Y.N, Zhang, Y.Y, Chi, X.M, Zhou, Q. | | Deposit date: | 2021-04-28 | | Release date: | 2022-04-06 | | Last modified: | 2022-07-13 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | The structure of erastin-bound xCT-4F2hc complex reveals molecular mechanisms underlying erastin-induced ferroptosis.
Cell Res., 32, 2022
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8UBY
 | | Choline-bound FLVCR1 | | Descriptor: | CHOLESTEROL HEMISUCCINATE, CHOLINE ION, Heme transporter FLVCR1 | | Authors: | Hite, R.K, Son, Y. | | Deposit date: | 2023-09-25 | | Release date: | 2024-03-27 | | Last modified: | 2024-05-29 | | Method: | ELECTRON MICROSCOPY (2.67 Å) | | Cite: | Structural basis of lipid head group entry to the Kennedy pathway by FLVCR1.
Nature, 629, 2024
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8UC0
 | | Endogenous ligand bound FLVCR1 | | Descriptor: | CHOLESTEROL HEMISUCCINATE, Heme transporter FLVCR1 | | Authors: | Hite, R.K, Son, Y. | | Deposit date: | 2023-09-25 | | Release date: | 2024-03-27 | | Last modified: | 2024-05-29 | | Method: | ELECTRON MICROSCOPY (2.42 Å) | | Cite: | Structural basis of lipid head group entry to the Kennedy pathway by FLVCR1.
Nature, 629, 2024
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7F0I
 | | phosphodiesterase-9A in complex with inhibitor 4b | | Descriptor: | 1-cyclopentyl-6-[[(2R)-1-(6-fluoranyl-2-azaspiro[3.3]heptan-2-yl)-1-oxidanylidene-propan-2-yl]amino]-5H-pyrazolo[3,4-d]pyrimidin-4-one, Isoform PDE9A2 of High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A, MAGNESIUM ION, ... | | Authors: | Wu, Y, Huang, Y.Y, Luo, H.B. | | Deposit date: | 2021-06-04 | | Release date: | 2022-04-13 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.70000887 Å) | | Cite: | Discovery of Potent Phosphodiesterase-9 Inhibitors for the Treatment of Hepatic Fibrosis
J.Med.Chem., 64, 2021
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