3TI3
 
 | | Crystal structure of 2009 pandemic H1N1 neuraminidase complexed with laninamivir | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 5-acetamido-2,6-anhydro-4-carbamimidamido-3,4,5-trideoxy-7-O-methyl-D-glycero-D-galacto-non-2-enonic acid, ... | | Authors: | Vavricka, C.J, Li, Q, Wu, Y, Qi, J, Wang, M, Liu, Y, Gao, F, Liu, J, Feng, E, He, J, Wang, J, Liu, H, Jiang, H, Gao, G.F. | | Deposit date: | 2011-08-20 | | Release date: | 2011-11-16 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural and functional analysis of laninamivir and its octanoate prodrug reveals group specific mechanisms for influenza NA inhibition
Plos Pathog., 7, 2011
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3TI8
 | | Crystal structure of influenza A virus neuraminidase N5 complexed with laninamivir | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 5-acetamido-2,6-anhydro-4-carbamimidamido-3,4,5-trideoxy-7-O-methyl-D-glycero-D-galacto-non-2-enonic acid, ... | | Authors: | Vavricka, C.J, Li, Q, Wu, Y, Qi, J, Wang, M, Liu, Y, Gao, F, Liu, J, Feng, E, He, J, Wang, J, Liu, H, Jiang, H, Gao, G.F. | | Deposit date: | 2011-08-20 | | Release date: | 2011-11-16 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.601 Å) | | Cite: | Structural and functional analysis of laninamivir and its octanoate prodrug reveals group specific mechanisms for influenza NA inhibition
Plos Pathog., 7, 2011
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4M8J
 | | Crystal structure of CaiT R262E bound to gamma-butyrobetaine | | Descriptor: | 3-CARBOXY-N,N,N-TRIMETHYLPROPAN-1-AMINIUM, L-carnitine/gamma-butyrobetaine antiporter | | Authors: | Kalayil, S. | | Deposit date: | 2013-08-13 | | Release date: | 2013-10-09 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (3.294 Å) | | Cite: | Arginine oscillation explains Na+ independence in the substrate/product antiporter CaiT.
Proc.Natl.Acad.Sci.USA, 110, 2013
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3TI6
 | | Crystal structure of 2009 pandemic H1N1 neuraminidase complexed with oseltamivir | | Descriptor: | (3R,4R,5S)-4-(acetylamino)-5-amino-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, ... | | Authors: | Vavricka, C.J, Li, Q, Wu, Y, Qi, J, Wang, M, Liu, Y, Gao, F, Liu, J, Feng, E, He, J, Wang, J, Liu, H, Jiang, H, Gao, G.F. | | Deposit date: | 2011-08-20 | | Release date: | 2011-11-23 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.69 Å) | | Cite: | Structural and functional analysis of laninamivir and its octanoate prodrug reveals group specific mechanisms for influenza NA inhibition
Plos Pathog., 7, 2011
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3TIB
 | | Crystal structure of 1957 pandemic H2N2 neuraminidase complexed with laninamivir octanoate | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 5-acetamido-2,6-anhydro-4-carbamimidamido-3,4,5-trideoxy-7-O-methyl-9-O-octanoyl-D-glycero-D-galacto-non-2-enonic acid, CALCIUM ION, ... | | Authors: | Vavricka, C.J, Li, Q, Wu, Y, Qi, J, Wang, M, Liu, Y, Gao, F, Liu, J, Feng, E, He, J, Wang, J, Liu, H, Jiang, H, Gao, G.F. | | Deposit date: | 2011-08-20 | | Release date: | 2011-11-16 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.201 Å) | | Cite: | Structural and functional analysis of laninamivir and its octanoate prodrug reveals group specific mechanisms for influenza NA inhibition
Plos Pathog., 7, 2011
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6ZBI
 | | Ternary complex of Calmodulin bound to 2 molecules of NHE1 | | Descriptor: | CALCIUM ION, Calmodulin-1, Sodium/hydrogen exchanger 1 | | Authors: | Prestel, A, Kragelund, B.B, Pedersen, E.S, Pedersen, S.F, Sjoegaard-Frich, L.M. | | Deposit date: | 2020-06-08 | | Release date: | 2021-03-17 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Dynamic Na + /H + exchanger 1 (NHE1) - calmodulin complexes of varying stoichiometry and structure regulate Ca 2+ -dependent NHE1 activation.
Elife, 10, 2021
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2LT9
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4HUN
 | | MATE transporter NorM-NG in complex with R6G and monobody | | Descriptor: | Multidrug efflux protein, RHODAMINE 6G, protein B | | Authors: | Lu, M. | | Deposit date: | 2012-11-02 | | Release date: | 2013-02-06 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (3.59 Å) | | Cite: | Structures of a Na+-coupled, substrate-bound MATE multidrug transporter.
Proc.Natl.Acad.Sci.USA, 110, 2013
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4HUL
 | | MATE transporter NorM-NG in complex with Cs+ and monobody | | Descriptor: | CESIUM ION, Multidrug efflux protein, Protein B | | Authors: | Lu, M. | | Deposit date: | 2012-11-02 | | Release date: | 2013-02-06 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (3.81 Å) | | Cite: | Structures of a Na+-coupled, substrate-bound MATE multidrug transporter.
Proc.Natl.Acad.Sci.USA, 110, 2013
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4HUK
 | | MATE transporter NorM-NG in complex with TPP and monobody | | Descriptor: | Multidrug efflux protein, Protein B, TETRAPHENYLPHOSPHONIUM | | Authors: | Lu, M. | | Deposit date: | 2012-11-02 | | Release date: | 2013-02-06 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (3.59 Å) | | Cite: | Structures of a Na+-coupled, substrate-bound MATE multidrug transporter.
Proc.Natl.Acad.Sci.USA, 110, 2013
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4HUM
 | | MATE transporter NorM-NG in complex with ethidium and monobody | | Descriptor: | ETHIDIUM, Multidrug efflux protein, Protein B | | Authors: | Lu, M. | | Deposit date: | 2012-11-02 | | Release date: | 2013-02-06 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (3.49 Å) | | Cite: | Structures of a Na+-coupled, substrate-bound MATE multidrug transporter.
Proc.Natl.Acad.Sci.USA, 110, 2013
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7Y3E
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4RKO
 | | Crystal structure of thrombin mutant S195T bound with PPACK | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide, ... | | Authors: | Pelc, A.L, Chen, Z, Gohara, D.W, Vogt, A.D, Pozzi, N, Di Cera, E. | | Deposit date: | 2014-10-13 | | Release date: | 2015-03-11 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.84 Å) | | Cite: | Why ser and not thr brokers catalysis in the trypsin fold.
Biochemistry, 54, 2015
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7W7F
 | | Cryo-EM structure of human NaV1.3/beta1/beta2-ICA121431 | | Descriptor: | (3beta,14beta,17beta,25R)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en, 2,2-diphenyl-~{N}-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]ethanamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Jiang, D, Li, X. | | Deposit date: | 2021-12-04 | | Release date: | 2022-04-06 | | Method: | ELECTRON MICROSCOPY (3.35 Å) | | Cite: | Structural basis for modulation of human Na V 1.3 by clinical drug and selective antagonist.
Nat Commun, 13, 2022
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7W77
 | | cryo-EM structure of human NaV1.3/beta1/beta2-bulleyaconitineA | | Descriptor: | (3beta,14beta,17beta,25R)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Jiang, D, Li, X. | | Deposit date: | 2021-12-03 | | Release date: | 2022-04-06 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Structural basis for modulation of human Na V 1.3 by clinical drug and selective antagonist.
Nat Commun, 13, 2022
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7T9F
 | | Structure of VcINDY-apo | | Descriptor: | DASS family sodium-coupled anion symporter | | Authors: | Sauer, D.B, Marden, J.J, Song, J.M, Wang, D.N. | | Deposit date: | 2021-12-19 | | Release date: | 2022-05-25 | | Last modified: | 2024-02-28 | | Method: | ELECTRON MICROSCOPY (3.23 Å) | | Cite: | Structural basis of ion - substrate coupling in the Na + -dependent dicarboxylate transporter VcINDY.
Nat Commun, 13, 2022
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4IB0
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6K8X
 | | Crystal structure of a class C beta lactamase | | Descriptor: | Beta-lactamase | | Authors: | Bae, D.W, Jung, Y.E, An, Y.J, Na, J.H, Cha, S.S. | | Deposit date: | 2019-06-13 | | Release date: | 2019-10-16 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.59 Å) | | Cite: | Structural Insights into Catalytic Relevances of Substrate Poses in ACC-1.
Antimicrob.Agents Chemother., 63, 2019
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6KA5
 | | Crystal structure of a class C beta-lactamase in complex with cefoxitin | | Descriptor: | (2R)-2-{(1S)-1-methoxy-2-oxo-1-[(thiophen-2-ylacetyl)amino]ethyl}-5-methylidene-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid, Beta-lactamase | | Authors: | Bae, D.W, Jung, Y.E, An, Y.J, Na, J.H, Cha, S.S. | | Deposit date: | 2019-06-20 | | Release date: | 2019-10-16 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.59 Å) | | Cite: | Structural Insights into Catalytic Relevances of Substrate Poses in ACC-1.
Antimicrob.Agents Chemother., 63, 2019
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6K9T
 | | Crystal structure of a class C beta-lactamase in complex with cefotaxime | | Descriptor: | Beta-lactamase, CEFOTAXIME, C3' cleaved, ... | | Authors: | Bae, D.W, Jung, Y.E, An, Y.J, Na, J.H, Cha, S.S. | | Deposit date: | 2019-06-17 | | Release date: | 2019-10-16 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.459 Å) | | Cite: | Structural Insights into Catalytic Relevances of Substrate Poses in ACC-1.
Antimicrob.Agents Chemother., 63, 2019
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6KBY
 | | Crystal structure of a class C beta lactamase in complex with AMP | | Descriptor: | ADENOSINE MONOPHOSPHATE, Beta-lactamase | | Authors: | Bae, D.W, Jung, Y.E, An, Y.J, Na, J.H, Cha, S.S. | | Deposit date: | 2019-06-26 | | Release date: | 2019-10-16 | | Last modified: | 2019-11-06 | | Method: | X-RAY DIFFRACTION (1.097 Å) | | Cite: | Structural Insights into Catalytic Relevances of Substrate Poses in ACC-1.
Antimicrob.Agents Chemother., 63, 2019
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7NGH
 | | Structure of glutamate transporter homologue in complex with Sybody | | Descriptor: | ASPARTIC ACID, Proton/glutamate symporter, SDF family, ... | | Authors: | Arkhipova, V, Slotboom, D.J, Guskov, A. | | Deposit date: | 2021-02-09 | | Release date: | 2021-09-15 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Kinetic mechanism of Na + -coupled aspartate transport catalyzed by Glt Tk .
Commun Biol, 4, 2021
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7YS5
 | | RET G-quadruplex in 10mM Na+ | | Descriptor: | DNA (5'-D(*GP*GP*GP*GP*CP*GP*GP*GP*GP*CP*GP*GP*GP*GP*CP*GP*GP*GP*GP*T)-3') | | Authors: | Yin, S, Cao, C. | | Deposit date: | 2022-08-11 | | Release date: | 2023-09-06 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | RET G-quadruplex in 10mM Na+
To Be Published
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7WFW
 | | Apo human Nav1.8 | | Descriptor: | 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1-O-OCTADECYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Yan, N, Pan, X.J, Huang, X.S, Huang, G.X. | | Deposit date: | 2021-12-27 | | Release date: | 2022-08-03 | | Last modified: | 2022-09-21 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Structural basis for high-voltage activation and subtype-specific inhibition of human Na v 1.8.
Proc.Natl.Acad.Sci.USA, 119, 2022
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7WEL
 | | Human Nav1.8 with A-803467, class II | | Descriptor: | 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1-O-OCTADECYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Yan, N, Pan, X.J, Huang, X.S, Huang, G.X. | | Deposit date: | 2021-12-23 | | Release date: | 2022-08-03 | | Last modified: | 2022-09-21 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Structural basis for high-voltage activation and subtype-specific inhibition of human Na v 1.8.
Proc.Natl.Acad.Sci.USA, 119, 2022
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