5TMG
 
 | | Optimization of 3,5-Disubstitued Piperidine: Discovery of Non-Peptide mimetics as an Orally Active Renin Inhibitor | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 5-(4-methoxybutyl)-N-(2-methylpropyl)-N-[(3S,5R)-5-(morpholine-4-carbonyl)piperidin-3-yl]-1-phenyl-1H-1,2,3-triazole-4-carboxamide, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Snell, G.P, Behnke, C.A, Okada, K, Hideyuki, O, Sang, B.C, Lane, W. | | Deposit date: | 2016-10-12 | | Release date: | 2017-10-18 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Optimization of 3,5-Disubstitued Piperidine: Discovery of Non-Peptide mimetics as an Orally Active Renin Inhibitor
To be published
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7D88
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7D89
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4XNU
 | | X-ray structure of Drosophila dopamine transporter in complex with nisoxetine | | Descriptor: | CHLORIDE ION, CHOLESTEROL, Integral membrane protein-dopamine transporter, ... | | Authors: | Aravind, P, Wang, K, Gouaux, E. | | Deposit date: | 2015-01-16 | | Release date: | 2015-05-13 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.98 Å) | | Cite: | X-ray structures of Drosophila dopamine transporter in complex with nisoxetine and reboxetine.
Nat.Struct.Mol.Biol., 22, 2015
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4XP1
 | | X-ray structure of Drosophila dopamine transporter bound to neurotransmitter dopamine | | Descriptor: | 1,2-ETHANEDIOL, 1-ETHOXY-2-(2-ETHOXYETHOXY)ETHANE, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Gouaux, E, Penmatsa, A, Wang, K. | | Deposit date: | 2015-01-16 | | Release date: | 2015-05-06 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.89 Å) | | Cite: | Neurotransmitter and psychostimulant recognition by the dopamine transporter.
Nature, 521, 2015
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4XP5
 | | X-ray structure of Drosophila dopamine transporter bound to cocaine analogue-RTI55 | | Descriptor: | 1-ETHOXY-2-(2-ETHOXYETHOXY)ETHANE, Antibody fragment heavy chain-protein, 9D5-heavy chain, ... | | Authors: | Gouaux, E, Penmatsa, A, Wang, K. | | Deposit date: | 2015-01-16 | | Release date: | 2015-05-06 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Neurotransmitter and psychostimulant recognition by the dopamine transporter.
Nature, 521, 2015
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4XPB
 | | X-ray structure of Drosophila dopamine transporter with subsiteB mutations (D121G/S426M) bound to cocaine | | Descriptor: | Antibody fragment heavy chain-protein, 9D5-heavy chain, Antibody fragment light chain-protein, ... | | Authors: | Aravind, P, Wang, K, Gouaux, E. | | Deposit date: | 2015-01-16 | | Release date: | 2015-05-13 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (3.05 Å) | | Cite: | Neurotransmitter and psychostimulant recognition by the dopamine transporter.
Nature, 521, 2015
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4XPT
 | | X-ray structure of Drosophila dopamine transporter with subsiteB mutations D121G/S426M and EL2 deletion of 162-201 in complex with substrate analogue 3,4 dichlorophen ethylamine | | Descriptor: | 2-(3,4-dichlorophenyl)ethanamine, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ... | | Authors: | Aravind, P, Wang, K, Gouaux, E. | | Deposit date: | 2015-01-17 | | Release date: | 2015-05-06 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (3.36 Å) | | Cite: | Neurotransmitter and psychostimulant recognition by the dopamine transporter.
Nature, 521, 2015
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4XNX
 | | X-ray structure of Drosophila dopamine transporter in complex with reboxetine | | Descriptor: | (2R)-2-[(R)-(2-ethoxyphenoxy)(phenyl)methyl]morpholine, Antibody fragment heavy chain, CHLORIDE ION, ... | | Authors: | Aravind, P, Wang, K, Gouaux, E. | | Deposit date: | 2015-01-16 | | Release date: | 2015-05-13 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | X-ray structures of Drosophila dopamine transporter in complex with nisoxetine and reboxetine.
Nat.Struct.Mol.Biol., 22, 2015
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4XP6
 | | X-ray structure of Drosophila dopamine transporter bound to psychostimulant methamphetamine | | Descriptor: | (2S)-N-methyl-1-phenylpropan-2-amine, 2-acetamido-2-deoxy-beta-D-glucopyranose, Antibody fragment heavy chain-protein, ... | | Authors: | Aravind, P, Wang, K, Gouaux, E. | | Deposit date: | 2015-01-16 | | Release date: | 2015-05-13 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Neurotransmitter and psychostimulant recognition by the dopamine transporter.
Nature, 521, 2015
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8GZE
 | | Crystal Structure of human METTL9-SAH-SLC39A7 peptide complex | | Descriptor: | Protein-L-histidine N-pros-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE, Zinc transporter SLC39A7 | | Authors: | Zhao, W.T, Li, H.T. | | Deposit date: | 2022-09-26 | | Release date: | 2023-05-31 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (3.4 Å) | | Cite: | Molecular basis for protein histidine N1-specific methylation of the "His-x-His" motifs by METTL9.
Cell Insight, 2, 2023
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4XP9
 | | X-ray structure of Drosophila dopamine transporter bound to psychostimulant D-amphetamine | | Descriptor: | (2S)-1-phenylpropan-2-amine, 1-ETHOXY-2-(2-ETHOXYETHOXY)ETHANE, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Aravind, P, Wang, K, Gouaux, E. | | Deposit date: | 2015-01-16 | | Release date: | 2015-05-06 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Neurotransmitter and psychostimulant recognition by the dopamine transporter.
Nature, 521, 2015
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4XPH
 | | X-ray structure of Drosophila dopamine transporter with subsiteB mutations (D121G/S426M) bound to 3,4dichlorophenethylamine | | Descriptor: | 1-ETHOXY-2-(2-ETHOXYETHOXY)ETHANE, 2-(3,4-dichlorophenyl)ethanamine, Antibody fragment heavy chain, ... | | Authors: | Penmatsa, A, Wang, K, Gouaux, E. | | Deposit date: | 2015-01-17 | | Release date: | 2015-05-06 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Neurotransmitter and psychostimulant recognition by the dopamine transporter.
Nature, 521, 2015
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4XPA
 | | X-ray structure of Drosophila dopamine transporter bound to 3,4dichlorophenethylamine | | Descriptor: | 2-(3,4-dichlorophenyl)ethanamine, Antibody fragment heavy chain-protein, 9D5-heavy chain, ... | | Authors: | Aravind, P, Wang, K, Gouaux, E. | | Deposit date: | 2015-01-16 | | Release date: | 2015-05-20 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.95 Å) | | Cite: | Neurotransmitter and psychostimulant recognition by the dopamine transporter.
Nature, 521, 2015
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7EAK
 | | Echovirus3 full particle in complex with 5G3 fab | | Descriptor: | Capsid protein VP1, Capsid protein VP2, Capsid protein VP3, ... | | Authors: | Feng, R. | | Deposit date: | 2021-03-07 | | Release date: | 2021-07-14 | | Method: | ELECTRON MICROSCOPY (3.9 Å) | | Cite: | Structural basis for neutralization of an anicteric hepatitis associated echovirus by a potent neutralizing antibody.
Cell Discov, 7, 2021
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7EAH
 | | Echovirus3 empty expanded particle | | Descriptor: | Capsid protein VP0, Capsid protein VP1, Capsid protein VP3 | | Authors: | Feng, R. | | Deposit date: | 2021-03-07 | | Release date: | 2021-07-14 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Structural basis for neutralization of an anicteric hepatitis associated echovirus by a potent neutralizing antibody.
Cell Discov, 7, 2021
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7EAI
 | | Echovirus3 empty compacted particle | | Descriptor: | Capsid protein VP0, Capsid protein VP1, Capsid protein VP3, ... | | Authors: | Feng, R. | | Deposit date: | 2021-03-07 | | Release date: | 2021-07-14 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | Structural basis for neutralization of an anicteric hepatitis associated echovirus by a potent neutralizing antibody.
Cell Discov, 7, 2021
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7EAJ
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3VKD
 | | Crystal structure of MoeO5 soaked with 3-phosphoglycerate | | Descriptor: | (2R)-3-(phosphonooxy)-2-{[(2Z,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]oxy}propanoic acid, MAGNESIUM ION, MoeO5, ... | | Authors: | Ren, F, Ko, T.-P, Huang, C.-H, Guo, R.-T. | | Deposit date: | 2011-11-12 | | Release date: | 2012-05-09 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.66 Å) | | Cite: | Insights into the mechanism of the antibiotic-synthesizing enzyme MoeO5 from crystal structures of different complexes
Angew.Chem.Int.Ed.Engl., 51, 2012
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3VK5
 | | Crystal structure of MoeO5 in complex with its product FPG | | Descriptor: | (2R)-3-(phosphonooxy)-2-{[(2Z,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]oxy}propanoic acid, MAGNESIUM ION, MoeO5 | | Authors: | Ren, F, Ko, T.-P, Huang, C.-H, Guo, R.-T. | | Deposit date: | 2011-11-08 | | Release date: | 2012-05-09 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.39 Å) | | Cite: | Insights into the mechanism of the antibiotic-synthesizing enzyme MoeO5 from crystal structures of different complexes
Angew.Chem.Int.Ed.Engl., 51, 2012
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3VKC
 | | Crystal structure of MoeO5 soaked with pyrophosphate | | Descriptor: | (2R)-3-(phosphonooxy)-2-{[(2Z,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]oxy}propanoic acid, MAGNESIUM ION, MoeO5, ... | | Authors: | Ren, F, Ko, T.-P, Huang, C.-H, Guo, R.-T. | | Deposit date: | 2011-11-12 | | Release date: | 2012-05-09 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.66 Å) | | Cite: | Insights into the mechanism of the antibiotic-synthesizing enzyme MoeO5 from crystal structures of different complexes
Angew.Chem.Int.Ed.Engl., 51, 2012
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8I5Y
 | | Structure of human Nav1.7 in complex with vixotrigine | | Descriptor: | (2S,3R,4E)-2-(acetylamino)-3-hydroxyoctadec-4-en-1-yl dihydrogen phosphate, (3beta,14beta,17beta,25R)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en, 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, ... | | Authors: | Wu, Q.R, Yan, N. | | Deposit date: | 2023-01-26 | | Release date: | 2023-06-14 | | Last modified: | 2023-11-08 | | Method: | ELECTRON MICROSCOPY (2.6 Å) | | Cite: | Structural mapping of Na v 1.7 antagonists.
Nat Commun, 14, 2023
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8I5G
 | | Structure of human Nav1.7 in complex with PF-05089771 | | Descriptor: | (3beta,14beta,17beta,25R)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en, 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1-O-OCTADECYL-SN-GLYCERO-3-PHOSPHOCHOLINE, ... | | Authors: | Wu, Q.R, Yan, N. | | Deposit date: | 2023-01-25 | | Release date: | 2023-06-14 | | Last modified: | 2023-11-08 | | Method: | ELECTRON MICROSCOPY (2.7 Å) | | Cite: | Structural mapping of Na v 1.7 antagonists.
Nat Commun, 14, 2023
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8I5B
 | | Structure of human Nav1.7 in complex with bupivacaine | | Descriptor: | 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1-O-OCTADECYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Wu, Q.R, Yan, N. | | Deposit date: | 2023-01-24 | | Release date: | 2023-06-14 | | Last modified: | 2023-11-08 | | Method: | ELECTRON MICROSCOPY (2.7 Å) | | Cite: | Structural mapping of Na v 1.7 antagonists.
Nat Commun, 14, 2023
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8I5X
 | | Structure of human Nav1.7 in complex with Vinpocetine | | Descriptor: | (3beta,14beta,17beta,25R)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en, 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1-O-OCTADECYL-SN-GLYCERO-3-PHOSPHOCHOLINE, ... | | Authors: | Wu, Q.R, Yan, N. | | Deposit date: | 2023-01-26 | | Release date: | 2023-06-14 | | Last modified: | 2023-11-08 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Structural mapping of Na v 1.7 antagonists.
Nat Commun, 14, 2023
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