1MNL
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![BU of 1mnl by Molmil](/molmil-images/mine/1mnl) | HIGH-RESOLUTION SOLUTION STRUCTURE OF A SWEET PROTEIN SINGLE-CHAIN MONELLIN (SCM) DETERMINED BY NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY AND DYNAMICAL SIMULATED ANNEALING CALCULATIONS, 21 STRUCTURES | Descriptor: | MONELLIN | Authors: | Lee, S.-Y, Lee, J.-H, Chang, H.-J, Jo, J.-M, Jung, J.-W, Lee, W. | Deposit date: | 1998-08-06 | Release date: | 1999-06-08 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Solution structure of a sweet protein single-chain monellin determined by nuclear magnetic resonance and dynamical simulated annealing calculations. Biochemistry, 38, 1999
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6PQP
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![BU of 6pqp by Molmil](/molmil-images/mine/6pqp) | Cryo-EM structure of the human TRPA1 ion channel in complex with the covalent agonist BITC | Descriptor: | 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, N-benzylthioformamide, ... | Authors: | Suo, Y, Wang, Z, Zubcevic, L, Hsu, A.L, He, Q, Borgnia, M.J, Ji, R.-R, Lee, S.-Y. | Deposit date: | 2019-07-09 | Release date: | 2020-01-08 | Last modified: | 2020-07-29 | Method: | ELECTRON MICROSCOPY (3.06 Å) | Cite: | Structural Insights into Electrophile Irritant Sensing by the Human TRPA1 Channel. Neuron, 105, 2020
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6PQQ
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![BU of 6pqq by Molmil](/molmil-images/mine/6pqq) | Cryo-EM structure of human TRPA1 C621S mutant in the apo state | Descriptor: | 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine, Transient receptor potential cation channel subfamily A member 1, [(2~{R})-1-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-3-hexadecanoyloxy-propan-2-yl] (~{Z})-octadec-9-enoate | Authors: | Suo, Y, Wang, Z, Zubcevic, L, Hsu, A.L, He, Q, Borgnia, M.J, Ji, R.-R, Lee, S.-Y. | Deposit date: | 2019-07-09 | Release date: | 2020-01-08 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (2.81 Å) | Cite: | Structural Insights into Electrophile Irritant Sensing by the Human TRPA1 Channel. Neuron, 105, 2020
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6PKX
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![BU of 6pkx by Molmil](/molmil-images/mine/6pkx) | Cryo-EM structure of the zebrafish TRPM2 channel in the presence of ADPR and Ca2+ | Descriptor: | CALCIUM ION, Transient receptor potential cation channel subfamily M member 2, [(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL [HYDROXY-[[(2R,3S,4R,5S)-3,4,5-TRIHYDROXYOXOLAN-2-YL]METHOXY]PHOSPHORYL] HYDROGEN PHOSPHATE | Authors: | Yin, Y, Wu, M, Hsu, A.L, Borschel, W.F, Borgnia, M.J, Lander, G.C, Lee, S.-Y. | Deposit date: | 2019-06-30 | Release date: | 2019-08-28 | Last modified: | 2019-12-18 | Method: | ELECTRON MICROSCOPY (4.2 Å) | Cite: | Visualizing structural transitions of ligand-dependent gating of the TRPM2 channel. Nat Commun, 10, 2019
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6PQO
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![BU of 6pqo by Molmil](/molmil-images/mine/6pqo) | Cryo-EM structure of the human TRPA1 ion channel in complex with the covalent agonist JT010 | Descriptor: | 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-chloro-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-(3-methoxypropyl)acetamide, ... | Authors: | Suo, Y, Wang, Z, Zubcevic, L, Hsu, A.L, He, Q, Borgnia, M.J, Ji, R.-R, Lee, S.-Y. | Deposit date: | 2019-07-09 | Release date: | 2020-01-08 | Last modified: | 2020-07-29 | Method: | ELECTRON MICROSCOPY (2.88 Å) | Cite: | Structural Insights into Electrophile Irritant Sensing by the Human TRPA1 Channel. Neuron, 105, 2020
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9B71
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![BU of 9b71 by Molmil](/molmil-images/mine/9b71) | Cryo-EM structure of MraY in complex with analogue 3 | Descriptor: | (2~{S},3~{S})-3-[(2~{S},3~{R},4~{S},5~{R})-5-(aminomethyl)-3,4-bis(oxidanyl)oxolan-2-yl]oxy-3-[(2~{S},3~{S},4~{R},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]-2-[[4-[[[(2~{S})-5-carbamimidamido-2-(hexadecanoylamino)pentanoyl]amino]methyl]phenyl]methylamino]propanoic acid, MraYAA Nanobody, Phospho-N-acetylmuramoyl-pentapeptide-transferase | Authors: | Hao, A, Lee, S.-Y. | Deposit date: | 2024-03-26 | Release date: | 2024-06-26 | Method: | ELECTRON MICROSCOPY (2.7 Å) | Cite: | Development of a natural product optimization strategy for inhibitors against MraY, a promising antibacterial target. Nat Commun, 15, 2024
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9B70
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![BU of 9b70 by Molmil](/molmil-images/mine/9b70) | Cryo-EM structure of MraY in complex with analogue 2 | Descriptor: | (2~{S},3~{S})-3-[(2~{S},3~{R},4~{S},5~{R})-5-(aminomethyl)-3,4-bis(oxidanyl)oxolan-2-yl]oxy-2-[[3-[[[(2~{S})-6-azanyl-2-(hexadecanoylamino)hexanoyl]amino]methyl]phenyl]methylamino]-3-[(2~{S},3~{S},4~{R},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]propanoic acid, MraYAA nanobody, Phospho-N-acetylmuramoyl-pentapeptide-transferase | Authors: | Hao, A, Lee, S.-Y. | Deposit date: | 2024-03-26 | Release date: | 2024-06-26 | Method: | ELECTRON MICROSCOPY (2.88 Å) | Cite: | Development of a natural product optimization strategy for inhibitors against MraY, a promising antibacterial target. Nat Commun, 15, 2024
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5L2B
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![BU of 5l2b by Molmil](/molmil-images/mine/5l2b) | Structure of CNTnw N149S, E332A in an outward-facing state | Descriptor: | 2-{[(4-O-alpha-D-glucopyranosyl-beta-D-glucopyranosyl)oxy]methyl}-2-octyldecyl 4-O-alpha-D-glucopyranosyl-beta-D-glucopyranoside, Nucleoside permease | Authors: | Hirschi, M, Johnson, Z.L, Lee, S.-Y. | Deposit date: | 2016-07-31 | Release date: | 2017-04-12 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3.8 Å) | Cite: | Visualizing multistep elevator-like transitions of a nucleoside transporter. Nature, 545, 2017
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5L27
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![BU of 5l27 by Molmil](/molmil-images/mine/5l27) | Structure of CNTnw N149L in the intermediate 1 state | Descriptor: | 2-{[(4-O-alpha-D-glucopyranosyl-beta-D-glucopyranosyl)oxy]methyl}-2-octyldecyl 4-O-alpha-D-glucopyranosyl-beta-D-glucopyranoside, Nucleoside permease | Authors: | Hirschi, M, Johnson, Z.L, Lee, S.-Y. | Deposit date: | 2016-07-31 | Release date: | 2017-04-12 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (4.1 Å) | Cite: | Visualizing multistep elevator-like transitions of a nucleoside transporter. Nature, 545, 2017
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5L2A
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![BU of 5l2a by Molmil](/molmil-images/mine/5l2a) | Structure of CNTnw N149S,F366A in an outward-facing state | Descriptor: | 2-{[(4-O-alpha-D-glucopyranosyl-beta-D-glucopyranosyl)oxy]methyl}-2-octyldecyl 4-O-alpha-D-glucopyranosyl-beta-D-glucopyranoside, Nucleoside permease | Authors: | Hirschi, M, Johnson, Z.L, Lee, S.-Y. | Deposit date: | 2016-07-31 | Release date: | 2017-04-12 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3.45 Å) | Cite: | Visualizing multistep elevator-like transitions of a nucleoside transporter. Nature, 545, 2017
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5L24
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![BU of 5l24 by Molmil](/molmil-images/mine/5l24) | Structure of CNTnw N149L in the intermediate 2 state | Descriptor: | 2-{[(4-O-alpha-D-glucopyranosyl-beta-D-glucopyranosyl)oxy]methyl}-2-octyldecyl 4-O-alpha-D-glucopyranosyl-beta-D-glucopyranoside, Nucleoside permease | Authors: | Hirschi, M, Johnson, Z.L, Lee, S.-Y. | Deposit date: | 2016-07-31 | Release date: | 2017-04-12 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (4.1 Å) | Cite: | Visualizing multistep elevator-like transitions of a nucleoside transporter. Nature, 545, 2017
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5L26
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![BU of 5l26 by Molmil](/molmil-images/mine/5l26) | Structure of CNTnw in an inward-facing substrate-bound state | Descriptor: | 2-{[(4-O-alpha-D-glucopyranosyl-beta-D-glucopyranosyl)oxy]methyl}-2-octyldecyl 4-O-alpha-D-glucopyranosyl-beta-D-glucopyranoside, Nucleoside permease, SODIUM ION, ... | Authors: | Hirschi, M, Johnson, Z.L, Lee, S.-Y. | Deposit date: | 2016-07-31 | Release date: | 2017-04-12 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3.4 Å) | Cite: | Visualizing multistep elevator-like transitions of a nucleoside transporter. Nature, 545, 2017
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8FCB
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![BU of 8fcb by Molmil](/molmil-images/mine/8fcb) | Cryo-EM structure of the human TRPV4 - RhoA in complex with GSK1016790A | Descriptor: | 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, CHOLESTEROL HEMISUCCINATE, N-[(2S)-1-{4-[N-(2,4-dichlorobenzene-1-sulfonyl)-L-seryl]piperazin-1-yl}-4-methyl-1-oxopentan-2-yl]-1-benzothiophene-2-carboxamide, ... | Authors: | Kwon, D.H, Lee, S.-Y, Zhang, F. | Deposit date: | 2022-12-01 | Release date: | 2023-07-12 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (3.52 Å) | Cite: | TRPV4-Rho GTPase complex structures reveal mechanisms of gating and disease. Nat Commun, 14, 2023
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8FC7
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![BU of 8fc7 by Molmil](/molmil-images/mine/8fc7) | Cryo-EM structure of the human TRPV4 - RhoA in complex with GSK2798745 | Descriptor: | 1-({(5S,7S)-3-[5-(2-hydroxypropan-2-yl)pyrazin-2-yl]-7-methyl-2-oxo-1-oxa-3-azaspiro[4.5]decan-7-yl}methyl)-1H-benzimidazole-6-carbonitrile, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Kwon, D.H, Lee, S.-Y, Zhang, F. | Deposit date: | 2022-12-01 | Release date: | 2023-07-12 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | TRPV4-Rho GTPase complex structures reveal mechanisms of gating and disease. Nat Commun, 14, 2023
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8FC9
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![BU of 8fc9 by Molmil](/molmil-images/mine/8fc9) | Cryo-EM structure of the human TRPV4 - RhoA, apo condition | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Transforming protein RhoA, ... | Authors: | Kwon, D.H, Lee, S.-Y, Zhang, F. | Deposit date: | 2022-12-01 | Release date: | 2023-07-12 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (3.75 Å) | Cite: | TRPV4-Rho GTPase complex structures reveal mechanisms of gating and disease. Nat Commun, 14, 2023
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8FC8
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![BU of 8fc8 by Molmil](/molmil-images/mine/8fc8) | Cryo-EM structure of the human TRPV4 in complex with GSK1016790A | Descriptor: | CHOLESTEROL HEMISUCCINATE, N-[(2S)-1-{4-[N-(2,4-dichlorobenzene-1-sulfonyl)-L-seryl]piperazin-1-yl}-4-methyl-1-oxopentan-2-yl]-1-benzothiophene-2-carboxamide, Transient receptor potential cation channel subfamily V member 4 | Authors: | Kwon, D.H, Lee, S.-Y, Zhang, F. | Deposit date: | 2022-12-01 | Release date: | 2023-07-12 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (3.47 Å) | Cite: | TRPV4-Rho GTPase complex structures reveal mechanisms of gating and disease. Nat Commun, 14, 2023
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8FCA
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![BU of 8fca by Molmil](/molmil-images/mine/8fca) | Cryo-EM structure of the human TRPV4 - RhoA in complex with 4alpha-Phorbol 12,13-didecanoate | Descriptor: | (1aR,1bS,4aS,7aS,7bS,8R,9R,9aS)-9a-(decanoyloxy)-4a,7b-dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-1H-cyclopropa[3,4]benzo[1,2-e]azulen-9-yl decanoate, CHOLESTEROL HEMISUCCINATE, Transient receptor potential cation channel subfamily V member 4 | Authors: | Kwon, D.H, Lee, S.-Y, Zhang, F. | Deposit date: | 2022-12-01 | Release date: | 2023-07-12 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (3.41 Å) | Cite: | TRPV4-Rho GTPase complex structures reveal mechanisms of gating and disease. Nat Commun, 14, 2023
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1KRX
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![BU of 1krx by Molmil](/molmil-images/mine/1krx) | SOLUTION STRUCTURE OF BERYLLOFLUORIDE-ACTIVATED NTRC RECEIVER DOMAIN: MODEL STRUCTURES INCORPORATING ACTIVE SITE CONTACTS | Descriptor: | BERYLLIUM TRIFLUORIDE ION, NITROGEN REGULATION PROTEIN NR(I) | Authors: | Hastings, C.A, Lee, S.-Y, Cho, H.S, Yan, D, Kustu, S, Wemmer, D.E. | Deposit date: | 2002-01-10 | Release date: | 2003-08-19 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | High-Resolution Solution Structure of the Beryllofluoride-Activated NtrC Receiver Domain Biochemistry, 42, 2003
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1KRW
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![BU of 1krw by Molmil](/molmil-images/mine/1krw) | SOLUTION STRUCTURE AND BACKBONE DYNAMICS OF BERYLLOFLUORIDE-ACTIVATED NTRC RECEIVER DOMAIN | Descriptor: | NITROGEN REGULATION PROTEIN NR(I) | Authors: | Hastings, C.A, Lee, S.-Y, Cho, H.S, Yan, D, Kustu, S, Wemmer, D.E. | Deposit date: | 2002-01-10 | Release date: | 2003-08-19 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | High-Resolution Solution Structure of the Beryllofluoride-Activated NtrC Receiver Domain Biochemistry, 42, 2003
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4PD6
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![BU of 4pd6 by Molmil](/molmil-images/mine/4pd6) | Crystal structure of vcCNT-7C8C bound to uridine | Descriptor: | DECYL-BETA-D-MALTOPYRANOSIDE, NupC family protein, SODIUM ION, ... | Authors: | Johnson, Z.L, Lee, S.-Y. | Deposit date: | 2014-04-17 | Release date: | 2014-08-13 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.08 Å) | Cite: | Structural basis of nucleoside and nucleoside drug selectivity by concentrative nucleoside transporters. Elife, 3, 2014
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4PD8
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![BU of 4pd8 by Molmil](/molmil-images/mine/4pd8) | Structure of vcCNT-7C8C bound to pyrrolo-cytidine | Descriptor: | 6-methyl-3-(beta-D-ribofuranosyl)-3,7-dihydro-2H-pyrrolo[2,3-d]pyrimidin-2-one, DECYL-BETA-D-MALTOPYRANOSIDE, NupC family protein, ... | Authors: | Johnson, Z.L, Lee, S.-Y. | Deposit date: | 2014-04-17 | Release date: | 2014-08-13 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Structural basis of nucleoside and nucleoside drug selectivity by concentrative nucleoside transporters. Elife, 3, 2014
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4PB1
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![BU of 4pb1 by Molmil](/molmil-images/mine/4pb1) | Structure of vcCNT-7C8C bound to ribavirin | Descriptor: | 1-(beta-D-ribofuranosyl)-1H-1,2,4-triazole-3-carboxamide, DECYL-BETA-D-MALTOPYRANOSIDE, NupC family protein, ... | Authors: | Johnson, Z.L, Lee, S.-Y. | Deposit date: | 2014-04-11 | Release date: | 2014-08-13 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.803 Å) | Cite: | Structural basis of nucleoside and nucleoside drug selectivity by concentrative nucleoside transporters. Elife, 3, 2014
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4PD5
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![BU of 4pd5 by Molmil](/molmil-images/mine/4pd5) | Crystal structure of vcCNT-7C8C bound to gemcitabine | Descriptor: | DECYL-BETA-D-MALTOPYRANOSIDE, GEMCITABINE, NupC family protein, ... | Authors: | Johnson, Z.L, Lee, S.-Y. | Deposit date: | 2014-04-17 | Release date: | 2014-08-13 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.906 Å) | Cite: | Structural basis of nucleoside and nucleoside drug selectivity by concentrative nucleoside transporters. Elife, 3, 2014
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4PDA
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![BU of 4pda by Molmil](/molmil-images/mine/4pda) | Structure of vcCNT-7C8C bound to cytidine | Descriptor: | 4-AMINO-1-BETA-D-RIBOFURANOSYL-2(1H)-PYRIMIDINONE, DECYL-BETA-D-MALTOPYRANOSIDE, NupC family protein, ... | Authors: | Johnson, Z.L, Lee, S.-Y. | Deposit date: | 2014-04-17 | Release date: | 2014-08-13 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.608 Å) | Cite: | Structural basis of nucleoside and nucleoside drug selectivity by concentrative nucleoside transporters. Elife, 3, 2014
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4PD9
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![BU of 4pd9 by Molmil](/molmil-images/mine/4pd9) | Structure of vcCNT-7C8C bound to adenosine | Descriptor: | ADENOSINE, DECYL-BETA-D-MALTOPYRANOSIDE, NupC family protein, ... | Authors: | Johnson, Z.L, Lee, S.-Y. | Deposit date: | 2014-04-17 | Release date: | 2014-08-13 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3.096 Å) | Cite: | Structural basis of nucleoside and nucleoside drug selectivity by concentrative nucleoside transporters. Elife, 3, 2014
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