7YIV
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![BU of 7yiv by Molmil](/molmil-images/mine/7yiv) | The Crystal Structure of Human Tissue Nonspecific Alkaline Phosphatase (ALPL) at Basic pH | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Alkaline phosphatase, ... | Authors: | Cao, Y, Qin, A, Yu, Y.T, Yao, D.Q, Zhang, Q, Rao, B, Xia, Y, Lu, Y. | Deposit date: | 2022-07-18 | Release date: | 2023-07-19 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3.18 Å) | Cite: | The structural pathology for hypophosphatasia caused by malfunctional tissue non-specific alkaline phosphatase. Nat Commun, 14, 2023
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7YIW
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![BU of 7yiw by Molmil](/molmil-images/mine/7yiw) | The Crystal Structure of Human Tissue Nonspecific Alkaline Phosphatase (ALPL) at Acidic pH | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Alkaline phosphatase, ... | Authors: | Yu, Y.T, Yao, D.Q, Zhang, Q, Rao, B, Xia, Y, Lu, Y, Qin, A, Cao, Y. | Deposit date: | 2022-07-18 | Release date: | 2023-07-19 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.89 Å) | Cite: | The structural pathology for hypophosphatasia caused by malfunctional tissue non-specific alkaline phosphatase. Nat Commun, 14, 2023
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7YIX
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![BU of 7yix by Molmil](/molmil-images/mine/7yix) | The Cryo-EM Structure of Human Tissue Nonspecific Alkaline Phosphatase and Single-Chain Fragment Variable (ScFv) Complex. | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Alkaline phosphatase, ... | Authors: | Yu, Y.T, Yao, D.Q, Zhang, Q, Rao, B, Xia, Y, Lu, Y, Qin, A, Ma, P.X, Cao, Y. | Deposit date: | 2022-07-18 | Release date: | 2023-08-16 | Method: | ELECTRON MICROSCOPY (2.96 Å) | Cite: | The structural pathology for hypophosphatasia caused by malfunctional tissue non-specific alkaline phosphatase. Nat Commun, 14, 2023
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6KXW
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![BU of 6kxw by Molmil](/molmil-images/mine/6kxw) | Crystal structure of human aquaporin AQP7 in bound to glycerol | Descriptor: | Aquaporin-7, GLYCEROL | Authors: | Zhang, L, Yao, D, Zhou, F, Zhang, Q, Zhou, L, Cao, Y. | Deposit date: | 2019-09-13 | Release date: | 2019-11-27 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (3.7 Å) | Cite: | The structural basis for glycerol permeation by human AQP7 Sci Bull (Beijing), 66, 2020
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4WLB
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![BU of 4wlb by Molmil](/molmil-images/mine/4wlb) | Crystal structure of RORc in complex with a partial inverse agonist compound | Descriptor: | L(+)-TARTARIC ACID, N-(4-fluorobenzyl)-N-(2-methylpropyl)-6-{[1-(methylsulfonyl)piperidin-4-yl]amino}pyridine-3-sulfonamide, Nuclear receptor ROR-gamma, ... | Authors: | Boenig, G, Hymowitz, S.G, Kiefer, J.R. | Deposit date: | 2014-10-07 | Release date: | 2014-11-12 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.702 Å) | Cite: | A reversed sulfonamide series of selective RORc inverse agonists. Bioorg.Med.Chem.Lett., 24, 2014
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5K4J
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![BU of 5k4j by Molmil](/molmil-images/mine/5k4j) | Crystal Structure of CDK2 in complex with compound 22 | Descriptor: | 1-[(1~{S})-1-(4-chloranyl-3-fluoranyl-phenyl)-2-oxidanyl-ethyl]-4-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]pyridin-2-one, Cyclin-dependent kinase 2 | Authors: | Yin, J, Wang, W. | Deposit date: | 2016-05-20 | Release date: | 2016-07-06 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Discovery of (S)-1-(1-(4-Chloro-3-fluorophenyl)-2-hydroxyethyl)-4-(2-((1-methyl-1H-pyrazol-5-yl)amino)pyrimidin-4-yl)pyridin-2(1H)-one (GDC-0994), an Extracellular Signal-Regulated Kinase 1/2 (ERK1/2) Inhibitor in Early Clinical Development. J.Med.Chem., 59, 2016
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5K4I
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![BU of 5k4i by Molmil](/molmil-images/mine/5k4i) | Crystal Structure of ERK2 in complex with compound 22 | Descriptor: | 1,2-ETHANEDIOL, 1-[(1~{S})-1-(4-chloranyl-3-fluoranyl-phenyl)-2-oxidanyl-ethyl]-4-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]pyridin-2-one, Mitogen-activated protein kinase 1 | Authors: | Yin, J, Wang, W. | Deposit date: | 2016-05-20 | Release date: | 2016-07-06 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | Discovery of (S)-1-(1-(4-Chloro-3-fluorophenyl)-2-hydroxyethyl)-4-(2-((1-methyl-1H-pyrazol-5-yl)amino)pyrimidin-4-yl)pyridin-2(1H)-one (GDC-0994), an Extracellular Signal-Regulated Kinase 1/2 (ERK1/2) Inhibitor in Early Clinical Development. J.Med.Chem., 59, 2016
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8W9Y
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![BU of 8w9y by Molmil](/molmil-images/mine/8w9y) | The cryo-EM structure of human sphingomyelin synthase-related protein | Descriptor: | Sphingomyelin synthase-related protein 1 | Authors: | Hu, K, Zhang, Q, Chen, Y, Yao, D, Zhou, L, Cao, Y. | Deposit date: | 2023-09-06 | Release date: | 2024-02-28 | Last modified: | 2024-07-03 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Cryo-EM structure of human sphingomyelin synthase and its mechanistic implications for sphingomyelin synthesis. Nat.Struct.Mol.Biol., 31, 2024
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8W9W
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![BU of 8w9w by Molmil](/molmil-images/mine/8w9w) | The cryo-EM structure of human sphingomyelin synthase-related protein in complex with ceramide/phosphoethanolamine | Descriptor: | PHOSPHORIC ACID MONO-(2-AMINO-ETHYL) ESTER, Sphingomyelin synthase-related protein 1, ~{N}-[(~{Z},2~{S},3~{R})-1,3-bis(oxidanyl)heptadec-4-en-2-yl]dodecanamide | Authors: | Hu, K, Zhang, Q, Chen, Y, Yao, D, Zhou, L, Cao, Y. | Deposit date: | 2023-09-06 | Release date: | 2024-02-28 | Last modified: | 2024-07-03 | Method: | ELECTRON MICROSCOPY (3.74 Å) | Cite: | Cryo-EM structure of human sphingomyelin synthase and its mechanistic implications for sphingomyelin synthesis. Nat.Struct.Mol.Biol., 31, 2024
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3OY1
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![BU of 3oy1 by Molmil](/molmil-images/mine/3oy1) | Highly Selective c-Jun N-Terminal Kinase (JNK) 2 and 3 Inhibitors with In Vitro CNS-like Pharmacokinetic Properties | Descriptor: | 5-[2-(cyclohexylamino)pyridin-4-yl]-4-naphthalen-2-yl-2-(tetrahydro-2H-pyran-4-yl)-2,4-dihydro-3H-1,2,4-triazol-3-one, Mitogen-activated protein kinase 10 | Authors: | Probst, G.D, Bowers, S, Sealy, J.M, Truong, A, Neitz, J, Hom, R.K, Galemmo Jr, R.A, Konradi, A.W, Sham, H.L, Quincy, D, Pan, H, Yao, N. | Deposit date: | 2010-09-22 | Release date: | 2011-08-17 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Highly selective c-Jun N-terminal kinase (JNK) 2 and 3 inhibitors with in vitro CNS-like pharmacokinetic properties prevent neurodegeneration. Bioorg.Med.Chem.Lett., 21, 2011
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8IJR
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![BU of 8ijr by Molmil](/molmil-images/mine/8ijr) | The cryo-EM structure of human sphingomyelin synthase-related protein in complex with diacylglycerol/phosphoethanolamine | Descriptor: | (2S)-1-(hexadecanoyloxy)-3-hydroxypropan-2-yl (11Z)-octadec-11-enoate, PHOSPHORIC ACID MONO-(2-AMINO-ETHYL) ESTER, Sphingomyelin synthase-related protein 1 | Authors: | Hu, K, Zhang, Q, Chen, Y, Yao, D, Zhou, L, Cao, Y. | Deposit date: | 2023-02-28 | Release date: | 2024-02-28 | Last modified: | 2024-07-03 | Method: | ELECTRON MICROSCOPY (3.29 Å) | Cite: | Cryo-EM structure of human sphingomyelin synthase and its mechanistic implications for sphingomyelin synthesis. Nat.Struct.Mol.Biol., 31, 2024
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8IJQ
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![BU of 8ijq by Molmil](/molmil-images/mine/8ijq) | The cryo-EM structure of human sphingomyelin synthase-related protein in complex with ceramide | Descriptor: | N-((E,2S,3R)-1,3-DIHYDROXYOCTADEC-4-EN-2-YL)PALMITAMIDE, Sphingomyelin synthase-related protein 1 | Authors: | Hu, K, Zhang, Q, Chen, Y, Yao, D, Zhou, L, Cao, Y. | Deposit date: | 2023-02-27 | Release date: | 2024-02-28 | Last modified: | 2024-07-03 | Method: | ELECTRON MICROSCOPY (3.45 Å) | Cite: | Cryo-EM structure of human sphingomyelin synthase and its mechanistic implications for sphingomyelin synthesis. Nat.Struct.Mol.Biol., 31, 2024
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8GV9
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![BU of 8gv9 by Molmil](/molmil-images/mine/8gv9) | The cryo-EM structure of hAE2 with chloride ion | Descriptor: | Anion exchange protein 2, CHLORIDE ION | Authors: | Zhang, Q, Jian, L, Yao, D, Rao, B, Hu, K, Xia, Y, Cao, Y. | Deposit date: | 2022-09-14 | Release date: | 2023-04-12 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (3.06 Å) | Cite: | The structural basis of the pH-homeostasis mediated by the Cl - /HCO 3 - exchanger, AE2. Nat Commun, 14, 2023
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8GVA
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![BU of 8gva by Molmil](/molmil-images/mine/8gva) | The intermediate structure of hAE2 in basic pH | Descriptor: | Anion exchange protein 2 | Authors: | Zhang, Q, Jian, L, Yao, D, Rao, B, Hu, K, Xia, Y, Cao, Y. | Deposit date: | 2022-09-14 | Release date: | 2023-04-12 | Last modified: | 2024-04-24 | Method: | ELECTRON MICROSCOPY (3.25 Å) | Cite: | The structural basis of the pH-homeostasis mediated by the Cl - /HCO 3 - exchanger, AE2. Nat Commun, 14, 2023
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8GVE
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![BU of 8gve by Molmil](/molmil-images/mine/8gve) | The asymmetry structure of hAE2 | Descriptor: | Anion exchange protein 2 | Authors: | Zhang, Q, Jian, L, Yao, D, Rao, B, Hu, K, Xia, Y, Cao, Y. | Deposit date: | 2022-09-15 | Release date: | 2023-04-12 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (3.17 Å) | Cite: | The structural basis of the pH-homeostasis mediated by the Cl - /HCO 3 - exchanger, AE2. Nat Commun, 14, 2023
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8GV8
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![BU of 8gv8 by Molmil](/molmil-images/mine/8gv8) | The cryo-EM structure of hAE2 with DIDS | Descriptor: | 2,2'-ethane-1,2-diylbis{5-[(sulfanylmethyl)amino]benzenesulfonic acid}, Anion exchange protein 2 | Authors: | Zhang, Q, Jian, L, Yao, D, Rao, B, Hu, K, Xia, Y, Cao, Y. | Deposit date: | 2022-09-14 | Release date: | 2023-04-12 | Method: | ELECTRON MICROSCOPY (3.08 Å) | Cite: | The structural basis of the pH-homeostasis mediated by the Cl - /HCO 3 - exchanger, AE2. Nat Commun, 14, 2023
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8GVC
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![BU of 8gvc by Molmil](/molmil-images/mine/8gvc) | The cryo-EM structure of hAE2 with bicarbonate | Descriptor: | Anion exchange protein 2, BICARBONATE ION | Authors: | Zhang, Q, Jian, L, Yao, D, Rao, B, Hu, K, Xia, Y, Cao, Y. | Deposit date: | 2022-09-14 | Release date: | 2023-04-12 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (2.89 Å) | Cite: | The structural basis of the pH-homeostasis mediated by the Cl - /HCO 3 - exchanger, AE2. Nat Commun, 14, 2023
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8GVF
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![BU of 8gvf by Molmil](/molmil-images/mine/8gvf) | The outward-facing structure of hAE2 in basic pH | Descriptor: | Anion exchange protein 2 | Authors: | Zhang, Q, Jian, L, Yao, D, Rao, B, Hu, K, Xia, Y, Cao, Y. | Deposit date: | 2022-09-15 | Release date: | 2023-04-12 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (3.09 Å) | Cite: | The structural basis of the pH-homeostasis mediated by the Cl - /HCO 3 - exchanger, AE2. Nat Commun, 14, 2023
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8GVH
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![BU of 8gvh by Molmil](/molmil-images/mine/8gvh) | Human AE2 in acidic KNO3 | Descriptor: | Anion exchange protein 2, CHOLESTEROL HEMISUCCINATE | Authors: | Zhang, Q, Jian, L, Yao, D, Rao, B, Hu, K, Xia, Y, Cao, Y. | Deposit date: | 2022-09-15 | Release date: | 2023-04-12 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (3.32 Å) | Cite: | The structural basis of the pH-homeostasis mediated by the Cl - /HCO 3 - exchanger, AE2. Nat Commun, 14, 2023
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7F3X
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![BU of 7f3x by Molmil](/molmil-images/mine/7f3x) | Lysophospholipid acyltransferase LPCAT3 in complex with lysophosphatidylcholine | Descriptor: | LPCAT3, [2-((1-OXODODECANOXY-(2-HYDROXY-3-PROPANYL))-PHOSPHONATE-OXY)-ETHYL]-TRIMETHYLAMMONIUM | Authors: | Zhang, Q, Yao, D, Rao, B, Li, S, Jian, L, Chen, Y, Hu, K, Xia, Y, Shen, Y, Cao, Y. | Deposit date: | 2021-06-17 | Release date: | 2021-12-01 | Last modified: | 2024-06-12 | Method: | ELECTRON MICROSCOPY (3.57 Å) | Cite: | The structural basis for the phospholipid remodeling by lysophosphatidylcholine acyltransferase 3. Nat Commun, 12, 2021
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7EWT
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![BU of 7ewt by Molmil](/molmil-images/mine/7ewt) | The crystal structure of Lysophospholipid acyltransferase LPCAT3 (MOBAT5) in its monomeric and apo form | Descriptor: | Lysophospholipid acyltransferase 5 | Authors: | Zhang, Q, Yao, D, Rao, B, Li, S, Jian, L, Chen, Y, Hu, K, Xia, Y, Cao, Y. | Deposit date: | 2021-05-26 | Release date: | 2021-12-01 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (3.4 Å) | Cite: | The structural basis for the phospholipid remodeling by lysophosphatidylcholine acyltransferase 3. Nat Commun, 12, 2021
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7F40
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![BU of 7f40 by Molmil](/molmil-images/mine/7f40) | Lysophospholipid acyltransferase LPCAT3 in a complex with Arachidonoyl-CoA | Descriptor: | 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, LPCAT3, S-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyl] (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenethioate | Authors: | Zhang, Q, Yao, D, Rao, B, Li, S, Jian, L, Chen, Y, Hu, K, Xia, Y, Shen, Y, Cao, Y. | Deposit date: | 2021-06-17 | Release date: | 2021-12-01 | Last modified: | 2024-06-12 | Method: | ELECTRON MICROSCOPY (3.49 Å) | Cite: | The structural basis for the phospholipid remodeling by lysophosphatidylcholine acyltransferase 3. Nat Commun, 12, 2021
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7Y53
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![BU of 7y53 by Molmil](/molmil-images/mine/7y53) | The cryo-EM structure of human ERAD retro-translocation complex | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Derlin-1, Transitional endoplasmic reticulum ATPase | Authors: | Cao, Y, Rao, B, Wang, Q, Yao, D, Xia, Y, Li, W, Li, S, Shen, Y. | Deposit date: | 2022-06-16 | Release date: | 2023-10-18 | Last modified: | 2024-04-03 | Method: | ELECTRON MICROSCOPY (3.61 Å) | Cite: | The cryo-EM structure of the human ERAD retrotranslocation complex. Sci Adv, 9, 2023
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7Y59
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![BU of 7y59 by Molmil](/molmil-images/mine/7y59) | The cryo-EM structure of human ERAD retro-translocation complex | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Derlin-1, ... | Authors: | Cao, Y, Rao, B, Wang, Q, Yao, D, Xia, Y, Li, W, Li, S, Shen, Y. | Deposit date: | 2022-06-16 | Release date: | 2023-10-18 | Last modified: | 2024-04-03 | Method: | ELECTRON MICROSCOPY (4.51 Å) | Cite: | The cryo-EM structure of the human ERAD retrotranslocation complex. Sci Adv, 9, 2023
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7Y4W
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![BU of 7y4w by Molmil](/molmil-images/mine/7y4w) | The cryo-EM structure of human ERAD retro-translocation complex | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Derlin-1, Transitional endoplasmic reticulum ATPase | Authors: | Cao, Y, Rao, B, Wang, Q, Yao, D, Xia, Y, Li, W, Li, S, Shen, Y. | Deposit date: | 2022-06-16 | Release date: | 2023-10-18 | Last modified: | 2024-04-03 | Method: | ELECTRON MICROSCOPY (3.67 Å) | Cite: | The cryo-EM structure of the human ERAD retrotranslocation complex. Sci Adv, 9, 2023
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