4IAR
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![BU of 4iar by Molmil](/molmil-images/mine/4iar) | Crystal structure of the chimeric protein of 5-HT1B-BRIL in complex with ergotamine (PSI Community Target) | Descriptor: | (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Chimera protein of human 5-hydroxytryptamine receptor 1B and E. Coli soluble cytochrome b562, Ergotamine | Authors: | Wang, C, Jiang, Y, Ma, J, Wu, H, Wacker, D, Katritch, V, Han, G.W, Liu, W, Huang, X, Vardy, E, McCorvy, J.D, Gao, X, Zhou, E.X, Melcher, K, Zhang, C, Bai, F, Yang, H, Yang, L, Jiang, H, Roth, B.L, Cherezov, V, Stevens, R.C, Xu, H.E, GPCR Network (GPCR) | Deposit date: | 2012-12-07 | Release date: | 2013-03-13 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structural basis for molecular recognition at serotonin receptors. Science, 340, 2013
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4IKP
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![BU of 4ikp by Molmil](/molmil-images/mine/4ikp) | Crystal structure of coactivator-associated arginine methyltransferase 1 with methylenesinefungin | Descriptor: | (2S,5S)-2,6-diamino-5-{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}hexanoic acid, GLYCEROL, Histone-arginine methyltransferase CARM1, ... | Authors: | Dong, A, Dombrovski, L, He, H, Ibanez, G, Wernimont, A, Zheng, W, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Brown, P.J, Min, J, Luo, M, Wu, H, Structural Genomics Consortium (SGC) | Deposit date: | 2012-12-27 | Release date: | 2013-02-13 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | A chemical probe of CARM1 alters epigenetic plasticity against breast cancer cell invasion. Elife, 8, 2019
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6CBX
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![BU of 6cbx by Molmil](/molmil-images/mine/6cbx) | Crystal structure of human SET and MYND Domain Containing protein 2 with MTF1497 | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, N-lysine methyltransferase SMYD2, ... | Authors: | ZENG, H, DONG, A, Hutchinson, A, Seitova, A, TATLOCK, J, KUMPF, R, OWEN, A, TAYLOR, A, Casimiro-Garcia, A, Bountra, C, Arrowsmith, C.H, Edwards, A.M, BROWN, P.J, WU, H, Structural Genomics Consortium (SGC) | Deposit date: | 2018-02-05 | Release date: | 2018-03-14 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Crystal structure of human SET and MYND Domain Containing protein 2 with MTF1497 to be published
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6CBY
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![BU of 6cby by Molmil](/molmil-images/mine/6cby) | Crystal structure of human SET and MYND Domain Containing protein 2 with MTF9975 | Descriptor: | N-lysine methyltransferase SMYD2, ZINC ION, [3-(4-amino-6-methyl-1H-imidazo[4,5-c]pyridin-1-yl)-3-methylazetidin-1-yl][1-({1-[(1R)-cyclohept-2-en-1-yl]piperidin-4-yl}methyl)-1H-pyrrol-3-yl]methanone | Authors: | ZENG, H, DONG, A, Hutchinson, A, Seitova, A, TATLOCK, J, KUMPF, R, OWEN, A, TAYLOR, A, Casimiro-Garcia, A, Bountra, C, Arrowsmith, C.H, Edwards, A.M, BROWN, P.J, WU, H, Structural Genomics Consortium (SGC) | Deposit date: | 2018-02-05 | Release date: | 2018-03-14 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Selective, Small-Molecule Co-Factor Binding Site Inhibition of a Su(var)3-9, Enhancer of Zeste, Trithorax Domain Containing Lysine Methyltransferase. J.Med.Chem., 62, 2019
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4IAQ
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![BU of 4iaq by Molmil](/molmil-images/mine/4iaq) | Crystal structure of the chimeric protein of 5-HT1B-BRIL in complex with dihydroergotamine (PSI Community Target) | Descriptor: | Chimera protein of human 5-hydroxytryptamine receptor 1B and E. Coli soluble cytochrome b562, Dihydroergotamine | Authors: | Wang, C, Jiang, Y, Ma, J, Wu, H, Wacker, D, Katritch, V, Han, G.W, Liu, W, Huang, X, Vardy, E, McCorvy, J.D, Gao, X, Zhou, E.X, Melcher, K, Zhang, C, Bai, F, Yang, H, Yang, L, Jiang, H, Roth, B.L, Cherezov, V, Stevens, R.C, Xu, H.E, GPCR Network (GPCR) | Deposit date: | 2012-12-07 | Release date: | 2013-03-13 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural basis for molecular recognition at serotonin receptors. Science, 340, 2013
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1LB5
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![BU of 1lb5 by Molmil](/molmil-images/mine/1lb5) | TRAF6-RANK Complex | Descriptor: | TNF receptor-associated factor 6, receptor activator of nuclear factor-kappa B | Authors: | Ye, H, Arron, J.R, Lamothe, B, Cirilli, M, Kobayashi, T, Shevde, N.K, Segal, D, Dzivenu, O, Vologodskaia, M, Yim, M, Du, K, Singh, S, Pike, J.W, Darnay, B.G, Choi, Y, Wu, H. | Deposit date: | 2002-04-02 | Release date: | 2002-07-31 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Distinct molecular mechanism for initiating TRAF6 signalling. Nature, 418, 2002
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1LB4
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![BU of 1lb4 by Molmil](/molmil-images/mine/1lb4) | TRAF6 apo structure | Descriptor: | TNF receptor-associated factor 6 | Authors: | Ye, H, Arron, J.R, Lamothe, B, Cirilli, M, Kobayashi, T, Shevde, N.K, Segal, D, Dzivenu, O, Vologodskaia, M, Yim, M, Du, K, Singh, S, Pike, J.W, Darnay, B.G, Choi, Y, Wu, H. | Deposit date: | 2002-04-02 | Release date: | 2002-07-31 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Distinct molecular mechanism for initiating TRAF6 signalling. Nature, 418, 2002
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1LB6
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![BU of 1lb6 by Molmil](/molmil-images/mine/1lb6) | TRAF6-CD40 Complex | Descriptor: | CD40 antigen, TNF receptor-associated factor 6 | Authors: | Ye, H, Arron, J.R, Lamothe, B, Cirilli, M, Kobayashi, T, Shevde, N.K, Segal, D, Dzivenu, O, Vologodskaia, M, Yim, M, Du, K, Singh, S, Pike, J.W, Darnay, B.G, Choi, Y, Wu, H. | Deposit date: | 2002-04-02 | Release date: | 2002-07-31 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Distinct molecular mechanism for initiating TRAF6 signalling. Nature, 418, 2002
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6DLO
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![BU of 6dlo by Molmil](/molmil-images/mine/6dlo) | |
1M6I
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![BU of 1m6i by Molmil](/molmil-images/mine/1m6i) | Crystal Structure of Apoptosis Inducing Factor (AIF) | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, Programmed cell death protein 8 | Authors: | Ye, H, Cande, C, Stephanou, N.C, Jiang, S, Gurbuxani, S, Larochette, N, Daugas, E, Garrido, C, Kroemer, G, Wu, H. | Deposit date: | 2002-07-16 | Release date: | 2002-08-28 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | DNA binding is required for the apoptogenic action of apoptosis inducing factor. Nat.Struct.Biol., 9, 2002
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4LV9
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![BU of 4lv9 by Molmil](/molmil-images/mine/4lv9) | Fragment-based Identification of Amides Derived From trans-2-(Pyridin-3-yl)cyclopropanecarboxylic Acid as Potent Inhibitors of Human Nicotinamide Phosphoribosyltransferase (NAMPT) | Descriptor: | 1,2-ETHANEDIOL, 7-chloro-3-methyl-2H-1,2,4-benzothiadiazine 1,1-dioxide, Nicotinamide phosphoribosyltransferase, ... | Authors: | Giannetti, A.M, Zheng, X, Skelton, N, Wang, W, Bravo, B, Feng, Y, Gunzner-Toste, J, Ho, Y, Hua, R, Wang, C, Zhao, Q, Liederer, B.M, Liu, Y, O'Brien, T, Oeh, J, Sampath, D, Shen, Y, Wang, L, Wu, H, Xiao, Y, Yuen, P, Zak, M, Zhao, G, Dragovich, P.S. | Deposit date: | 2013-07-26 | Release date: | 2013-09-25 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.807 Å) | Cite: | Identification of amides derived from 1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid as potent inhibitors of human nicotinamide phosphoribosyltransferase (NAMPT). Bioorg.Med.Chem.Lett., 23, 2013
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4LVF
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![BU of 4lvf by Molmil](/molmil-images/mine/4lvf) | Fragment-based Identification of Amides Derived From trans-2-(Pyridin-3-yl)cyclopropanecarboxylic Acid as Potent Inhibitors of Human Nicotinamide Phosphoribosyltransferase (NAMPT) | Descriptor: | (1S,2S)-2-phenyl-N-(pyridin-4-yl)cyclopropanecarboxamide, 1,2-ETHANEDIOL, Nicotinamide phosphoribosyltransferase, ... | Authors: | Giannetti, A.M, Zheng, X, Skelton, N, Wang, W, Bravo, B, Feng, Y, Gunzner-Toste, J, Ho, Y, Hua, R, Wang, C, Zhao, Q, Liederer, B.M, Liu, Y, O'Brien, T, Oeh, J, Sampath, D, Shen, Y, Wang, L, Wu, H, Xiao, Y, Yuen, P, Zak, M, Zhao, G, Dragovich, P.S. | Deposit date: | 2013-07-26 | Release date: | 2013-09-25 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Identification of amides derived from 1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid as potent inhibitors of human nicotinamide phosphoribosyltransferase (NAMPT). Bioorg.Med.Chem.Lett., 23, 2013
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4LVA
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![BU of 4lva by Molmil](/molmil-images/mine/4lva) | Fragment-based Identification of Amides Derived From trans-2-(Pyridin-3-yl)cyclopropanecarboxylic Acid as Potent Inhibitors of Human Nicotinamide Phosphoribosyltransferase (NAMPT) | Descriptor: | 1,2-ETHANEDIOL, N-(4-{[4-(pyrrolidin-1-yl)piperidin-1-yl]sulfonyl}benzyl)-2H-pyrido[4,3-e][1,2,4]thiadiazin-3-amine 1,1-dioxide, Nicotinamide phosphoribosyltransferase, ... | Authors: | Giannetti, A.M, Zheng, X, Skelton, N, Wang, W, Bravo, B, Feng, Y, Gunzner-Toste, J, Ho, Y, Hua, R, Wang, C, Zhao, Q, Liederer, B.M, Liu, Y, O'Brien, T, Oeh, J, Sampath, D, Shen, Y, Wang, L, Wu, H, Xiao, Y, Yuen, P, Zak, M, Zhao, G, Dragovich, P.S. | Deposit date: | 2013-07-26 | Release date: | 2013-09-25 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Identification of amides derived from 1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid as potent inhibitors of human nicotinamide phosphoribosyltransferase (NAMPT). Bioorg.Med.Chem.Lett., 23, 2013
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7L0R
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![BU of 7l0r by Molmil](/molmil-images/mine/7l0r) | Structure of NTS-NTSR1-Gi complex in lipid nanodisc, noncanonical state, without AHD | Descriptor: | Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(T) subunit gamma-T1, Guanine nucleotide-binding protein G(i) subunit alpha-1, ... | Authors: | Zhang, M, Gui, M, Wang, Z, Gorgulla, C, Yu, J.J, Wu, H, Sun, Z, Klenk, C, Merklinger, L, Morstein, L, Hagn, F, Pluckthun, A, Brown, A, Nasr, M.L, Wagner, G. | Deposit date: | 2020-12-12 | Release date: | 2021-01-06 | Last modified: | 2021-03-24 | Method: | ELECTRON MICROSCOPY (4.2 Å) | Cite: | Cryo-EM structure of an activated GPCR-G protein complex in lipid nanodiscs. Nat.Struct.Mol.Biol., 28, 2021
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7L0P
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![BU of 7l0p by Molmil](/molmil-images/mine/7l0p) | Structure of NTS-NTSR1-Gi complex in lipid nanodisc, canonical state, without AHD | Descriptor: | Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(T) subunit gamma-T1, Guanine nucleotide-binding protein G(i) subunit alpha-1, ... | Authors: | Zhang, M, Gui, M, Wang, Z, Gorgulla, C, Yu, J.J, Wu, H, Sun, Z, Klenk, C, Merklinger, L, Morstein, L, Hagn, F, Pluckthun, A, Brown, A, Nasr, M.L, Wagner, G. | Deposit date: | 2020-12-12 | Release date: | 2021-01-06 | Last modified: | 2021-03-24 | Method: | ELECTRON MICROSCOPY (4.1 Å) | Cite: | Cryo-EM structure of an activated GPCR-G protein complex in lipid nanodiscs. Nat.Struct.Mol.Biol., 28, 2021
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7L0S
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![BU of 7l0s by Molmil](/molmil-images/mine/7l0s) | Structure of NTS-NTSR1-Gi complex in lipid nanodisc, noncanonical state, with AHD | Descriptor: | Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(T) subunit gamma-T1, Guanine nucleotide-binding protein G(i) subunit alpha-1, ... | Authors: | Zhang, M, Gui, M, Wang, Z, Gorgulla, C, Yu, J.J, Wu, H, Sun, Z, Klenk, C, Merklinger, L, Morstein, L, Hagn, F, Pluckthun, A, Brown, A, Nasr, M.L, Wagner, G. | Deposit date: | 2020-12-12 | Release date: | 2021-01-06 | Last modified: | 2021-03-24 | Method: | ELECTRON MICROSCOPY (4.5 Å) | Cite: | Cryo-EM structure of an activated GPCR-G protein complex in lipid nanodiscs. Nat.Struct.Mol.Biol., 28, 2021
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7KZO
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![BU of 7kzo by Molmil](/molmil-images/mine/7kzo) | Outer dynein arm docking complex bound to doublet microtubules from C. reinhardtii | Descriptor: | Dynein gamma chain, flagellar outer arm, GUANOSINE-5'-DIPHOSPHATE, ... | Authors: | Walton, T, Wu, H, Brown, A.B. | Deposit date: | 2020-12-10 | Release date: | 2021-01-20 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Structure of a microtubule-bound axonemal dynein. Nat Commun, 12, 2021
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7KZM
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![BU of 7kzm by Molmil](/molmil-images/mine/7kzm) | Outer dynein arm bound to doublet microtubules from C. reinhardtii | Descriptor: | DC1, DC2, Dynein 11 kDa light chain, ... | Authors: | Walton, T, Wu, H, Brown, A.B. | Deposit date: | 2020-12-10 | Release date: | 2021-01-20 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (7.5 Å) | Cite: | Structure of a microtubule-bound axonemal dynein. Nat Commun, 12, 2021
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7KZN
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![BU of 7kzn by Molmil](/molmil-images/mine/7kzn) | Outer dynein arm core subcomplex from C. reinhardtii | Descriptor: | DC1, DC2, Dynein 11 kDa light chain, ... | Authors: | Walton, T, Wu, H, Brown, A.B. | Deposit date: | 2020-12-10 | Release date: | 2021-01-20 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (4 Å) | Cite: | Structure of a microtubule-bound axonemal dynein. Nat Commun, 12, 2021
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7L0Q
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![BU of 7l0q by Molmil](/molmil-images/mine/7l0q) | Structure of NTS-NTSR1-Gi complex in lipid nanodisc, canonical state, with AHD | Descriptor: | Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(T) subunit gamma-T1, Guanine nucleotide-binding protein G(i) subunit alpha-1, ... | Authors: | Zhang, M, Gui, M, Wang, Z, Gorgulla, C, Yu, J.J, Wu, H, Sun, Z, Klenk, C, Merklinger, L, Morstein, L, Hagn, F, Pluckthun, A, Brown, A, Nasr, M.L, Wagner, G. | Deposit date: | 2020-12-12 | Release date: | 2021-01-06 | Last modified: | 2021-03-31 | Method: | ELECTRON MICROSCOPY (4.3 Å) | Cite: | Cryo-EM structure of an activated GPCR-G protein complex in lipid nanodiscs. Nat.Struct.Mol.Biol., 28, 2021
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5IWZ
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![BU of 5iwz by Molmil](/molmil-images/mine/5iwz) | Synaptonemal complex protein | Descriptor: | Synaptonemal complex protein 2 | Authors: | Feng, J, Fu, S, Cao, X, Wu, H, Lu, J, Zeng, M, Liu, L, Yang, X, Shen, Y. | Deposit date: | 2016-03-23 | Release date: | 2017-03-29 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.098 Å) | Cite: | Structure of synaptonemal complexes protein at 2.6 angstroms resolution To Be Published
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4LVG
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![BU of 4lvg by Molmil](/molmil-images/mine/4lvg) | Fragment-based Identification of Amides Derived From trans-2-(Pyridin-3-yl)cyclopropanecarboxylic Acid as Potent Inhibitors of Human Nicotinamide Phosphoribosyltransferase (NAMPT) | Descriptor: | (1S,2S)-N-[4-(phenylsulfonyl)phenyl]-2-(pyridin-3-yl)cyclopropanecarboxamide, 1,2-ETHANEDIOL, Nicotinamide phosphoribosyltransferase, ... | Authors: | Giannetti, A.M, Zheng, X, Skelton, N, Wang, W, Bravo, B, Feng, Y, Gunzner-Toste, J, Ho, Y, Hua, R, Wang, C, Zhao, Q, Liederer, B.M, Liu, Y, O'Brien, T, Oeh, J, Sampath, D, Shen, Y, Wang, L, Wu, H, Xiao, Y, Yuen, P, Zak, M, Zhao, G, Dragovich, P.S. | Deposit date: | 2013-07-26 | Release date: | 2013-09-25 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.702 Å) | Cite: | Identification of amides derived from 1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid as potent inhibitors of human nicotinamide phosphoribosyltransferase (NAMPT). Bioorg.Med.Chem.Lett., 23, 2013
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5JQE
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![BU of 5jqe by Molmil](/molmil-images/mine/5jqe) | Crystal structure of caspase8 tDED | Descriptor: | Sugar ABC transporter substrate-binding protein,Caspase-8 chimera | Authors: | Fu, T, Li, Y, Lu, A, Wu, H. | Deposit date: | 2016-05-04 | Release date: | 2016-10-26 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (3.157 Å) | Cite: | Cryo-EM Structure of Caspase-8 Tandem DED Filament Reveals Assembly and Regulation Mechanisms of the Death-Inducing Signaling Complex. Mol. Cell, 64, 2016
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7KNQ
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![BU of 7knq by Molmil](/molmil-images/mine/7knq) | SARM1 Octamer | Descriptor: | NAD(+) hydrolase SARM1 | Authors: | Shen, C, Wu, H. | Deposit date: | 2020-11-05 | Release date: | 2021-11-17 | Last modified: | 2024-05-29 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Multiple domain interfaces mediate SARM1 autoinhibition. Proc.Natl.Acad.Sci.USA, 118, 2021
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7LJ1
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![BU of 7lj1 by Molmil](/molmil-images/mine/7lj1) | Human Prx1-Srx Decameric Complex | Descriptor: | 1,2-ETHANEDIOL, ADENOSINE-5'-TRIPHOSPHATE, DI(HYDROXYETHYL)ETHER, ... | Authors: | Forshaw, T.E, Reisz, J.A, Nelson, K.J, Gumpena, R, Lawson, J.R, Jonsson, T, Wu, H, Clodfelter, J.E, Johnson, L, Furdui, C.M, Lowther, W.T. | Deposit date: | 2021-01-28 | Release date: | 2021-07-14 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.97 Å) | Cite: | Specificity of Human Sulfiredoxin for Reductant and Peroxiredoxin Oligomeric State. Antioxidants (Basel), 10, 2021
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