6M1Y
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![BU of 6m1y by Molmil](/molmil-images/mine/6m1y) | The overall structure of KCC3 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ... | Authors: | Chi, X.M, Li, X.R, Chen, Y, Zhang, Y.Y, Su, Q, Zhou, Q. | Deposit date: | 2020-02-26 | Release date: | 2020-11-04 | Last modified: | 2021-05-19 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Cryo-EM structures of the full-length human KCC2 and KCC3 cation-chloride cotransporters. Cell Res., 31, 2021
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6M23
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![BU of 6m23 by Molmil](/molmil-images/mine/6m23) | Overall structure of KCC2 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ... | Authors: | Chi, X.M, Li, X.R, Chen, Y, Zhang, Y.Y, Su, Q, Zhou, Q. | Deposit date: | 2020-02-26 | Release date: | 2020-11-04 | Last modified: | 2021-05-19 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Cryo-EM structures of the full-length human KCC2 and KCC3 cation-chloride cotransporters. Cell Res., 31, 2021
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5YPO
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![BU of 5ypo by Molmil](/molmil-images/mine/5ypo) | Crystal structure of PSD-95 GK domain in complex with phospho-SAPAP peptide | Descriptor: | Disks large homolog 4, GLYCEROL, SAPAP | Authors: | Zhu, J, Zhou, Q, Shang, Y, Weng, Z, Zhang, R, Zhang, M. | Deposit date: | 2017-11-02 | Release date: | 2018-03-14 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.29 Å) | Cite: | Synaptic Targeting and Function of SAPAPs Mediated by Phosphorylation-Dependent Binding to PSD-95 MAGUKs. Cell Rep, 21, 2017
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7BPI
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![BU of 7bpi by Molmil](/molmil-images/mine/7bpi) | The crystal structue of PDE10A complexed with 14 | Descriptor: | 8-[(E)-2-[5-methyl-1-[3-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]benzimidazol-2-yl]ethenyl]quinoline, MAGNESIUM ION, ZINC ION, ... | Authors: | Yang, Y, Zhang, S, Zhou, Q, Huang, Y.-Y, Guo, L, Luo, H.-B. | Deposit date: | 2020-03-22 | Release date: | 2021-01-27 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.4000864 Å) | Cite: | Discovery of highly selective and orally available benzimidazole-based phosphodiesterase 10 inhibitors with improved solubility and pharmacokinetic properties for treatment of pulmonary arterial hypertension. Acta Pharm Sin B, 10, 2020
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6JQ3
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![BU of 6jq3 by Molmil](/molmil-images/mine/6jq3) | Crystal Structure of H2-Kb in complex with a DPAGT1 mutant peptide | Descriptor: | Beta-2-microglobulin, DPAGT1 mutant antigen SIIVFNLL, H-2 class I histocompatibility antigen, ... | Authors: | Bai, P, Zhou, Q, Wei, P, Yin, L. | Deposit date: | 2019-03-28 | Release date: | 2020-05-06 | Last modified: | 2021-02-17 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Immune-based mutation classification enables neoantigen prioritization and immune feature discovery in cancer immunotherapy. Oncoimmunology, 10, 2021
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5YPR
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![BU of 5ypr by Molmil](/molmil-images/mine/5ypr) | Crystal Structure of PSD-95 SH3-GK domain in complex with a synthesized inhibitor | Descriptor: | Disks large homolog 4, Synthesized GK inhibitor | Authors: | Zhu, J, Zhou, Q, Shang, Y, Weng, Z, Zhu, R, Zhang, M. | Deposit date: | 2017-11-02 | Release date: | 2018-03-14 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.349 Å) | Cite: | Synaptic Targeting and Function of SAPAPs Mediated by Phosphorylation-Dependent Binding to PSD-95 MAGUKs. Cell Rep, 21, 2017
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6JTN
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![BU of 6jtn by Molmil](/molmil-images/mine/6jtn) | Crystal structure of HLA-C08 in complex with a tumor mut10m peptide | Descriptor: | 10-mer peptide, Beta-2-microglobulin, HLA class I antigen, ... | Authors: | Bai, P, Zhou, Q, Wei, P, Yin, L. | Deposit date: | 2019-04-11 | Release date: | 2020-04-15 | Last modified: | 2021-02-17 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Immune-based mutation classification enables neoantigen prioritization and immune feature discovery in cancer immunotherapy. Oncoimmunology, 10, 2021
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6A3N
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![BU of 6a3n by Molmil](/molmil-images/mine/6a3n) | Crystal structure of the PDE9 catalytic domain in complex with inhibitor 2 | Descriptor: | 1-cyclopentyl-6-({(2R)-1-[(3S)-3-fluoropyrrolidin-1-yl]-1-oxopropan-2-yl}amino)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one, High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A, MAGNESIUM ION, ... | Authors: | Wu, Y.N, Zhou, Q, Chen, Y.P, Luo, H.B. | Deposit date: | 2018-06-15 | Release date: | 2019-04-10 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Discovery of Potent, Selective, and Orally Bioavailable Inhibitors against Phosphodiesterase-9, a Novel Target for the Treatment of Vascular Dementia. J. Med. Chem., 62, 2019
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6A90
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![BU of 6a90 by Molmil](/molmil-images/mine/6a90) | Complex of voltage-gated sodium channel NavPaS from American cockroach Periplaneta americana and Dc1a | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Mu-diguetoxin-Dc1a, ... | Authors: | Shen, H.Z, li, Z.Q, Jiang, Y, Pan, X.J, Wu, J.P, Cristofori-Armstrong, B, Smith, J.J, Chin, Y.K.Y, Lei, J.L, Zhou, Q, King, G.F, Yan, N. | Deposit date: | 2018-07-11 | Release date: | 2018-08-08 | Last modified: | 2020-07-29 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | Structural basis for the modulation of voltage-gated sodium channels by animal toxins. Science, 362, 2018
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6A91
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![BU of 6a91 by Molmil](/molmil-images/mine/6a91) | Complex of voltage-gated sodium channel NavPaS from American cockroach Periplaneta americana bound with saxitoxin and Dc1a | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Shen, H.Z, li, Z.Q, Jiang, Y, Pan, X.J, Wu, J.P, Cristofori-Armstrong, B, Smith, J.J, Chin, Y.K.Y, Lei, J.L, Zhou, Q, King, G.F, Yan, N. | Deposit date: | 2018-07-11 | Release date: | 2018-08-08 | Last modified: | 2020-07-29 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Structural basis for the modulation of voltage-gated sodium channels by animal toxins. Science, 362, 2018
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7CH1
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![BU of 7ch1 by Molmil](/molmil-images/mine/7ch1) | The overall structure of SLC26A9 | Descriptor: | CHLORIDE ION, SODIUM ION, Solute carrier family 26 member 9 | Authors: | Chi, X.M, Chen, Y, Li, X.R, Zhang, Y.Y, Zhou, Q. | Deposit date: | 2020-07-03 | Release date: | 2020-08-26 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (2.6 Å) | Cite: | Structural insights into the gating mechanism of human SLC26A9 mediated by its C-terminal sequence. Cell Discov, 6, 2020
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6A95
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![BU of 6a95 by Molmil](/molmil-images/mine/6a95) | Complex of voltage-gated sodium channel NavPaS from American cockroach Periplaneta americana bound with tetrodotoxin and Dc1a | Descriptor: | (1R,5R,6R,7R,9S,11S,12S,13S,14S)-3-amino-14-(hydroxymethyl)-8,10-dioxa-2,4-diazatetracyclo[7.3.1.1~7,11~.0~1,6~]tetradec-3-ene-5,9,12,13,14-pentol (non-preferred name), 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Shen, H.Z, li, Z.Q, Jiang, Y, Pan, X.J, Wu, J.P, Cristofori-Armstrong, B, Smith, J.J, Chin, Y.K.Y, Lei, J.L, Zhou, Q, King, G.F, Yan, N. | Deposit date: | 2018-07-11 | Release date: | 2018-08-08 | Last modified: | 2020-07-29 | Method: | ELECTRON MICROSCOPY (2.6 Å) | Cite: | Structural basis for the modulation of voltage-gated sodium channels by animal toxins. Science, 362, 2018
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7C2L
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![BU of 7c2l by Molmil](/molmil-images/mine/7c2l) | S protein of SARS-CoV-2 in complex bound with 4A8 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Yan, R.H, Zhang, Y.Y, Guo, Y.Y, Li, Y.N, Xia, L, Zhou, Q. | Deposit date: | 2020-05-08 | Release date: | 2020-07-01 | Last modified: | 2021-02-17 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | A neutralizing human antibody binds to the N-terminal domain of the Spike protein of SARS-CoV-2. Science, 369, 2020
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7CT5
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![BU of 7ct5 by Molmil](/molmil-images/mine/7ct5) | S protein of SARS-CoV-2 in complex bound with T-ACE2 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, ... | Authors: | Guo, L, Bi, W.W, Zhang, Y.Y, Yan, R.H, Li, Y.N, Zhou, Q, Dang, B.B. | Deposit date: | 2020-08-18 | Release date: | 2020-11-18 | Last modified: | 2021-02-10 | Method: | ELECTRON MICROSCOPY (4 Å) | Cite: | Engineered trimeric ACE2 binds viral spike protein and locks it in "Three-up" conformation to potently inhibit SARS-CoV-2 infection. Cell Res., 31, 2021
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6AGF
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![BU of 6agf by Molmil](/molmil-images/mine/6agf) | Structure of the human voltage-gated sodium channel Nav1.4 in complex with beta1 | 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: | Pan, X.J, li, Z.Q, Zhou, Q, Shen, H.Z, Wu, K, Huang, X.S, Chen, J.F, Zhang, J.R, Zhu, X.C, Lei, J.L, Xiong, W, Gong, H.P, Xiao, B.L, Yan, N. | Deposit date: | 2018-08-11 | Release date: | 2018-10-10 | Last modified: | 2020-07-29 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Structure of the human voltage-gated sodium channel Nav1.4 in complex with beta 1. Science, 362, 2018
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6LID
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![BU of 6lid by Molmil](/molmil-images/mine/6lid) | Heteromeric amino acid transporter b0,+AT-rBAT complex | Descriptor: | 1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATE, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Yan, R.H, Li, Y.N, Lei, J.L, Zhou, Q. | Deposit date: | 2019-12-10 | Release date: | 2020-04-29 | Last modified: | 2020-07-29 | Method: | ELECTRON MICROSCOPY (2.7 Å) | Cite: | Cryo-EM structure of the human heteromeric amino acid transporter b0,+AT-rBAT. Sci Adv, 6, 2020
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6LI9
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![BU of 6li9 by Molmil](/molmil-images/mine/6li9) | Heteromeric amino acid transporter b0,+AT-rBAT complex bound with Arginine | Descriptor: | 1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATE, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ARGININE, ... | Authors: | Yan, R.H, Li, Y.N, Lei, J.L, Zhou, Q. | Deposit date: | 2019-12-10 | Release date: | 2020-04-29 | Last modified: | 2020-07-29 | Method: | ELECTRON MICROSCOPY (2.3 Å) | Cite: | Cryo-EM structure of the human heteromeric amino acid transporter b0,+AT-rBAT. Sci Adv, 6, 2020
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5YYS
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![BU of 5yys by Molmil](/molmil-images/mine/5yys) | Cryo-EM structure of L-fucokinase, GDP-fucose pyrophosphorylase (FKP)in Bacteroides fragilis | Descriptor: | L-fucokinase, L-fucose-1-P guanylyltransferase | Authors: | Wang, J, Hu, H, Liu, Y, Zhou, Q, Wu, P, Yan, N, Wang, H.W, Wu, J.W, Sun, L. | Deposit date: | 2017-12-11 | Release date: | 2018-12-12 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (4.2 Å) | Cite: | Cryo-EM structure of L-fucokinase/GDP-fucose pyrophosphorylase (FKP) in Bacteroides fragilis. Protein Cell, 10, 2019
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7CWF
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![BU of 7cwf by Molmil](/molmil-images/mine/7cwf) | Crystal structure of PDE8A catalytic domain in complex with 2c | Descriptor: | 9-[[4-[2,2-bis(fluoranyl)ethoxy]pyridin-2-yl]methyl]-2-chloranyl-purin-6-amine, High affinity cAMP-specific and IBMX-insensitive 3',5'-cyclic phosphodiesterase 8A, MAGNESIUM ION, ... | Authors: | Huang, Y, Wu, X.-N, Zhou, Q, Wu, Y, Luo, H.-B. | Deposit date: | 2020-08-28 | Release date: | 2021-09-01 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Rational Design of 2-Chloroadenine Derivatives as Highly Selective Phosphodiesterase 8A Inhibitors. J.Med.Chem., 63, 2020
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7CWG
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![BU of 7cwg by Molmil](/molmil-images/mine/7cwg) | Crystal structure of PDE8A catalytic domain in complex with 3a | Descriptor: | 9-[(1~{S})-1-[4-[2,2-bis(fluoranyl)ethoxy]pyridin-2-yl]ethyl]-2-chloranyl-purin-6-amine, High affinity cAMP-specific and IBMX-insensitive 3',5'-cyclic phosphodiesterase 8A, MAGNESIUM ION, ... | Authors: | Huang, Y, Wu, X.-N, Zhou, Q, Wu, Y, Luo, H.-B. | Deposit date: | 2020-08-28 | Release date: | 2021-09-01 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Rational Design of 2-Chloroadenine Derivatives as Highly Selective Phosphodiesterase 8A Inhibitors. J.Med.Chem., 63, 2020
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7CWA
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![BU of 7cwa by Molmil](/molmil-images/mine/7cwa) | Crystal structure of PDE8A catalytic domain in complex with clofarabine | Descriptor: | 2-CHLORO-9-(2-DEOXY-2-FLUORO-B -D-ARABINOFURANOSYL)-9H-PURIN-6-AMINE, High affinity cAMP-specific and IBMX-insensitive 3',5'-cyclic phosphodiesterase 8A, MAGNESIUM ION, ... | Authors: | Huang, Y, Wu, X.-N, Zhou, Q, Wu, Y, Luo, H.-B. | Deposit date: | 2020-08-27 | Release date: | 2021-09-01 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Rational Design of 2-Chloroadenine Derivatives as Highly Selective Phosphodiesterase 8A Inhibitors. J.Med.Chem., 63, 2020
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5XSY
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![BU of 5xsy by Molmil](/molmil-images/mine/5xsy) | Structure of the Nav1.4-beta1 complex from electric eel | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Sodium channel protein, Voltage-gated sodium channel beta subunit 1, ... | Authors: | Yan, Z, Zhou, Q, Wu, J.P, Yan, N. | Deposit date: | 2017-06-15 | Release date: | 2017-08-09 | Last modified: | 2020-07-29 | Method: | ELECTRON MICROSCOPY (4 Å) | Cite: | Structure of the Nav1.4-beta 1 Complex from Electric Eel. Cell, 170, 2017
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7DSL
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![BU of 7dsl by Molmil](/molmil-images/mine/7dsl) | Overall structure of the LAT1-4F2hc bound with JX-078 | Descriptor: | (2~{S})-2-azanyl-7-[(2-phenylphenyl)methoxy]-3,4-dihydro-1~{H}-naphthalene-2-carboxylic acid, 1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATE, 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, Zhong, X.Y, Zhou, Q. | Deposit date: | 2020-12-31 | Release date: | 2021-03-10 | Last modified: | 2022-06-29 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Mechanism of substrate transport and inhibition of the human LAT1-4F2hc amino acid transporter. Cell Discov, 7, 2021
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7DSQ
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![BU of 7dsq by Molmil](/molmil-images/mine/7dsq) | Overall structure of the LAT1-4F2hc bound with 3,5-diiodo-L-tyrosine | Descriptor: | 1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATE, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 3,5-DIIODOTYROSINE, ... | Authors: | Yan, R.H, Li, Y.N, Zhang, Y.Y, Zhong, X.Y, Zhou, Q. | Deposit date: | 2020-12-31 | Release date: | 2021-03-10 | Last modified: | 2022-06-29 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Mechanism of substrate transport and inhibition of the human LAT1-4F2hc amino acid transporter. Cell Discov, 7, 2021
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7DSN
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![BU of 7dsn by Molmil](/molmil-images/mine/7dsn) | Overall structure of the LAT1-4F2hc bound with JX-119 | Descriptor: | (2~{S})-2-azanyl-7-[[2-(1,3-benzoxazol-2-yl)phenyl]methoxy]-3,4-dihydro-1~{H}-naphthalene-2-carboxylic acid, 1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATE, 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, Zhong, X.Y, Zhou, Q. | Deposit date: | 2020-12-31 | Release date: | 2021-03-10 | Last modified: | 2022-06-29 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Mechanism of substrate transport and inhibition of the human LAT1-4F2hc amino acid transporter. Cell Discov, 7, 2021
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