3ZCS
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![BU of 3zcs by Molmil](/molmil-images/mine/3zcs) | Rabbit muscle glycogen phosphorylase b in complex with N-(1-naphthoyl) -N-beta-D-glucopyranosyl urea determined at 2.07 A resolution | Descriptor: | GLYCOGEN PHOSPHORYLASE, MUSCLE FORM, INOSINIC ACID, ... | Authors: | Chrysina, E.D, Nagy, V, Felfoldi, N, Konya, B, Telepo, K, Praly, J.P, Docsa, T, Gergely, P, Alexacou, K.M, Hayes, J.M, Konstantakaki, M, Kardakaris, R, Leonidas, D.D, Zographos, S.E, Oikonomakos, N.G, Somsak, L. | Deposit date: | 2012-11-21 | Release date: | 2013-12-11 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | Synthesis, Kinetic, Computational and Crystallographic Evaluation of N-Acyl-N-Beta-D- Glucopyranosyl)Ureas, Nanomolar Glucose Analogue Inhibitors of Glycogen Phosphorylase, Potential Antidiabetic Agents To be Published
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3ZCV
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![BU of 3zcv by Molmil](/molmil-images/mine/3zcv) | Rabbit muscle glycogen phosphorylase b in complex with N-(indol-2- carbonyl)-N-beta-D-glucopyranosyl urea determined at 1.8 A resolution | Descriptor: | GLYCOGEN PHOSPHORYLASE, MUSCLE FORM, N-[(1H-indol-2-ylcarbonyl)carbamoyl]-beta-D-glucopyranosylamine, ... | Authors: | Chrysina, E.D, Nagy, V, Felfoldi, N, Konya, B, Telepo, K, Praly, J.P, Docsa, T, Gergely, P, Alexacou, K.M, Hayes, J.M, Konstantakaki, M, Kardakaris, R, Leonidas, D.D, Zographos, S.E, Oikonomakos, N.G, Somsak, L. | Deposit date: | 2012-11-21 | Release date: | 2013-12-11 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | Synthesis, Kinetic, Computational and Crystallographic Evaluation of N-Acyl-N-Beta-D- Glucopyranosyl)Ureas, Nanomolar Glucose Analogue Inhibitors of Glycogen Phosphorylase, Potential Antidiabetic Agents To be Published
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3ZL4
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![BU of 3zl4 by Molmil](/molmil-images/mine/3zl4) | Antibody structural organization: Role of kappa - lambda chain constant domain switch in catalytic functionality | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, A17 ANTIBODY FAB FRAGMENT HEAVY CHAIN, A17 ANTIBODY FAB FRAGMENT LAMBDA LIGHT CHAIN | Authors: | Chatziefthimiou, S.D, Ponomarenko, N.A, Kurkova, I.N, Smirnov, A.V, Smirnov, I.V, Lamzin, V.S, Gabibov, A.G, Wilmanns, M. | Deposit date: | 2013-01-28 | Release date: | 2014-02-05 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Role of Kappa>Lambda Light-Chain Constant-Domain Switch in the Structure and Functionality of A17 Reactibody Acta Crystallogr.,Sect.D, 70, 2014
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2DCT
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![BU of 2dct by Molmil](/molmil-images/mine/2dct) | Crystal structure of the TT1209 from Thermus thermophilus HB8 | Descriptor: | CHLORIDE ION, SODIUM ION, hypothetical protein TTHA0104 | Authors: | Asada, Y, Sugahara, M, Shimizu, K, Yamamoto, H, Shimada, H, Nakamoto, T, Ono, N, Kunishima, N, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2006-01-12 | Release date: | 2006-01-24 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Crystal structure of the TT1209 from Thermus thermophilus HB8 To be Published
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1KR3
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![BU of 1kr3 by Molmil](/molmil-images/mine/1kr3) | Crystal Structure of the Metallo beta-Lactamase from Bacteroides fragilis (CfiA) in Complex with the Tricyclic Inhibitor SB-236050. | Descriptor: | 7,8-DIHYDROXY-1-METHOXY-3-METHYL-10-OXO-4,10-DIHYDRO-1H,3H-PYRANO[4,3-B]CHROMENE-9-CARBOXYLIC ACID, SODIUM ION, ZINC ION, ... | Authors: | Payne, D.J, Hueso-Rodrguez, J.A, Boyd, H, Concha, N.O, Janson, C.A, Gilpin, M, Bateson, J.H, Cheever, C, Niconovich, N.L, Pearson, S, Rittenhouse, S, Tew, D, Dez, E, Prez, P, de la Fuente, J, Rees, M, Rivera-Sagredo, A. | Deposit date: | 2002-01-08 | Release date: | 2003-01-08 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Identification of a series of tricyclic natural products as potent broad-spectrum inhibitors of metallo-beta-lactamases ANTIMICROB.AGENTS CHEMOTHER., 46, 2002
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3B24
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![BU of 3b24 by Molmil](/molmil-images/mine/3b24) | Hsp90 alpha N-terminal domain in complex with an aminotriazine fragment molecule | Descriptor: | 4-(ethylsulfanyl)-6-methyl-1,3,5-triazin-2-amine, Heat shock protein HSP 90-alpha, MAGNESIUM ION | Authors: | Fukami, T.A, Ono, N. | Deposit date: | 2011-07-21 | Release date: | 2011-09-14 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Lead generation of heat shock protein 90 inhibitors by a combination of fragment-based approach, virtual screening, and structure-based drug design Bioorg.Med.Chem.Lett., 21, 2011
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3B26
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![BU of 3b26 by Molmil](/molmil-images/mine/3b26) | Hsp90 alpha N-terminal domain in complex with an inhibitor Ro1127850 | Descriptor: | 4-(1H,3H-benzo[de]isochromen-6-yl)-6-methylpyrimidin-2-amine, Heat shock protein HSP 90-alpha | Authors: | Fukami, T.A, Ono, N. | Deposit date: | 2011-07-21 | Release date: | 2011-09-14 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Lead generation of heat shock protein 90 inhibitors by a combination of fragment-based approach, virtual screening, and structure-based drug design Bioorg.Med.Chem.Lett., 21, 2011
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3B27
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![BU of 3b27 by Molmil](/molmil-images/mine/3b27) | Hsp90 alpha N-terminal domain in complex with an inhibitor Ro4919127 | Descriptor: | 4-(2-chlorophenyl)-6-(methylsulfanyl)-1,3,5-triazin-2-amine, Heat shock protein HSP 90-alpha | Authors: | Fukami, T.A, Ono, N. | Deposit date: | 2011-07-21 | Release date: | 2011-09-14 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Lead generation of heat shock protein 90 inhibitors by a combination of fragment-based approach, virtual screening, and structure-based drug design Bioorg.Med.Chem.Lett., 21, 2011
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3B25
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![BU of 3b25 by Molmil](/molmil-images/mine/3b25) | Hsp90 alpha N-terminal domain in complex with an inhibitor CH4675194 | Descriptor: | 4-Methyl-6-(toluene-4-sulfonyl)-pyrimidin-2-ylamine, Heat shock protein HSP 90-alpha | Authors: | Fukami, T.A, Ono, N. | Deposit date: | 2011-07-21 | Release date: | 2011-09-14 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Lead generation of heat shock protein 90 inhibitors by a combination of fragment-based approach, virtual screening, and structure-based drug design Bioorg.Med.Chem.Lett., 21, 2011
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3B28
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![BU of 3b28 by Molmil](/molmil-images/mine/3b28) | Hsp90 alpha N-terminal domain in complex with an inhibitor CH5015765 | Descriptor: | 4-(5-chloro-1H,3H-benzo[de]isochromen-6-yl)-6-(methylsulfanyl)-1,3,5-triazin-2-amine, GLYCEROL, Heat shock protein HSP 90-alpha, ... | Authors: | Fukami, T.A, Ono, N. | Deposit date: | 2011-07-21 | Release date: | 2011-09-14 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Lead generation of heat shock protein 90 inhibitors by a combination of fragment-based approach, virtual screening, and structure-based drug design Bioorg.Med.Chem.Lett., 21, 2011
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2EKZ
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![BU of 2ekz by Molmil](/molmil-images/mine/2ekz) | Structural study of Project ID TTHB049 from Thermus thermophilus HB8 (L52M) | Descriptor: | Alpha-ribazole-5'-phosphate phosphatase | Authors: | Asada, Y, Matsuura, Y, Ono, N, Nakamoto, T, Kunishima, N, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2007-03-26 | Release date: | 2007-10-02 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structural study of Project ID TTHB049 from Thermus thermophilus HB8 (L52M) To be Published
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2EL1
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![BU of 2el1 by Molmil](/molmil-images/mine/2el1) | Structural study of Project ID PH0725 from Pyrococcus horikoshii OT3 (L44M) | Descriptor: | S-ADENOSYL-L-HOMOCYSTEINE, SODIUM ION, diphthine synthase | Authors: | Asada, Y, Taketa, M, Ono, N, Matsuura, Y, Kunishima, N, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2007-03-26 | Release date: | 2007-10-02 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural study of Project ID PH0725 from Pyrococcus horikoshii OT3 (L44M) To be Published
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2EJZ
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![BU of 2ejz by Molmil](/molmil-images/mine/2ejz) | Structural study of Project ID PH0725 from Pyrococcus horikoshii OT3 (Y11M) | Descriptor: | GLYCEROL, S-ADENOSYL-L-HOMOCYSTEINE, SODIUM ION, ... | Authors: | Asada, Y, Taketa, M, Ono, N, Matsuura, Y, Kunishima, N, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2007-03-22 | Release date: | 2007-09-25 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structural study of Project ID PH0725 from Pyrococcus horikoshii OT3 (Y11M) To be Published
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2EL0
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![BU of 2el0 by Molmil](/molmil-images/mine/2el0) | Structural study of Project ID PH0725 from Pyrococcus horikoshii OT3 (L21M) | Descriptor: | S-ADENOSYL-L-HOMOCYSTEINE, diphthine synthase | Authors: | Asada, Y, Matsuura, Y, Ono, N, Shimada, H, Kunishima, N, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2007-03-26 | Release date: | 2007-10-02 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural study of Project ID PH0725 from Pyrococcus horikoshii OT3 (L21M) To be Published
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2EOA
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![BU of 2eoa by Molmil](/molmil-images/mine/2eoa) | Structural study of Project ID TTHB049 from Thermus thermophilus HB8 (W85H) | Descriptor: | Alpha-ribazole-5'-phosphate phosphatase | Authors: | Asada, Y, Taketa, M, Ono, N, Matsuura, Y, Kunishima, N, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2007-03-29 | Release date: | 2007-10-02 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structural study of Project ID TTHB049 from Thermus thermophilus HB8 (W85H) To be Published
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2OWK
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![BU of 2owk by Molmil](/molmil-images/mine/2owk) | Crystal structure of PH0725 from Pyrococcus horikoshii OT3 | Descriptor: | S-ADENOSYL-L-HOMOCYSTEINE, SULFATE ION, diphthine synthase | Authors: | Sugahara, M, Matsuura, Y, Ono, N, Nakamoto, T, Kunishima, N, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2007-02-16 | Release date: | 2007-08-21 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structure of PH0725 from Pyrococcus horikoshii OT3 To be Published
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2P5C
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![BU of 2p5c by Molmil](/molmil-images/mine/2p5c) | Crystal structure of PH0725 from Pyrococcus horikoshii OT3 | Descriptor: | GLYCEROL, S-ADENOSYL-L-HOMOCYSTEINE, diphthine synthase | Authors: | Yamamoto, H, Taketa, M, Ono, N, Matsuura, Y, Kunishima, N, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2007-03-15 | Release date: | 2007-09-18 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal structure of PH0725 from Pyrococcus horikoshii OT3 To be Published
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2PCH
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![BU of 2pch by Molmil](/molmil-images/mine/2pch) | Crystal structure of PH0725 from Pyrococcus horikoshii OT3 | Descriptor: | Probable diphthine synthase, S-ADENOSYL-L-HOMOCYSTEINE, SODIUM ION | Authors: | Sugahara, M, Taketa, M, Ono, N, Matsuura, Y, Kunishima, N, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2007-03-29 | Release date: | 2007-10-02 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structure of PH0725 from Pyrococcus horikoshii OT3 To be Published
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3VHA
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![BU of 3vha by Molmil](/molmil-images/mine/3vha) | Hsp90 alpha N-terminal domain in complex with a macrocyclic inhibitor | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 22-methyl-13,18-dioxa-7-thia-3,5-diazatetracyclo[17.3.1.1~2,6~.1~8,12~]pentacosa-1(23),2(25),3,5,8(24),9,11,19,21-nonaen-4-amine, Heat shock protein HSP 90-alpha | Authors: | Fukami, T.A, Ono, N. | Deposit date: | 2011-08-24 | Release date: | 2012-07-18 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.39 Å) | Cite: | Design and synthesis of novel macrocyclic 2-amino-6-arylpyrimidine Hsp90 inhibitors Bioorg.Med.Chem.Lett., 22, 2012
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3VHC
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![BU of 3vhc by Molmil](/molmil-images/mine/3vhc) | Hsp90 alpha N-terminal domain in complex with a macrocyclic inhibitor | Descriptor: | 4-amino-20,22-dimethyl-13-oxa-7-thia-3,5,17-triazatetracyclo[17.3.1.1~2,6~.1~8,12~]pentacosa-1(23),2(25),3,5,8(24),9,11,19,21-nonaen-18-one, Heat shock protein HSP 90-alpha, MAGNESIUM ION | Authors: | Fukami, T.A, Ono, N. | Deposit date: | 2011-08-24 | Release date: | 2012-07-18 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.41 Å) | Cite: | Design and synthesis of novel macrocyclic 2-amino-6-arylpyrimidine Hsp90 inhibitors Bioorg.Med.Chem.Lett., 22, 2012
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3VHD
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![BU of 3vhd by Molmil](/molmil-images/mine/3vhd) | Hsp90 alpha N-terminal domain in complex with a macrocyclic inhibitor, CH5164840 | Descriptor: | 4-amino-18,20-dimethyl-7-thia-3,5,11,15-tetraazatricyclo[15.3.1.1(2,6)]docosa-1(20),2,4,6(22),17(21),18-hexaene-10,16-dione, Heat shock protein HSP 90-alpha | Authors: | Fukami, T.A, Ono, N. | Deposit date: | 2011-08-24 | Release date: | 2012-07-18 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.52 Å) | Cite: | Design and synthesis of novel macrocyclic 2-amino-6-arylpyrimidine Hsp90 inhibitors Bioorg.Med.Chem.Lett., 22, 2012
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3WHA
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![BU of 3wha by Molmil](/molmil-images/mine/3wha) | Hsp90 alpha N-terminal domain in complex with a tricyclic inhibitor | Descriptor: | 4-{[4-amino-6-(5-chloro-1H,3H-benzo[de]isochromen-6-yl)-1,3,5-triazin-2-yl]sulfanyl}butanamide, GLYCEROL, Heat shock protein HSP 90-alpha, ... | Authors: | Fukami, T.A, Ono, N. | Deposit date: | 2013-08-23 | Release date: | 2014-01-29 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Design and synthesis of 2-amino-6-(1H,3H-benzo[de]isochromen-6-yl)-1,3,5-triazines as novel Hsp90 inhibitors Bioorg.Med.Chem., 22, 2014
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2P6L
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![BU of 2p6l by Molmil](/molmil-images/mine/2p6l) | Crystal structure of PH0725 from Pyrococcus horikoshii OT3 | Descriptor: | S-ADENOSYL-L-HOMOCYSTEINE, diphthine synthase | Authors: | Yamamoto, H, Matsuura, Y, Ono, N, Shimada, H, Kunishima, N, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2007-03-19 | Release date: | 2007-09-25 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structure of PH0725 from Pyrococcus horikoshii OT3 To be Published
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5XXN
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![BU of 5xxn by Molmil](/molmil-images/mine/5xxn) | Crystal Structure of mutant (D286N) beta-glucosidase from Bacteroides thetaiotaomicron in complex with sophorose | Descriptor: | DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, Periplasmic beta-glucosidase, ... | Authors: | Nakajima, M, Ishiguro, R, Tanaka, N, Abe, K, Maeda, T, Miyanaga, A, Takahashi, Y, Sugimono, N, Nakai, H, Taguchi, H. | Deposit date: | 2017-07-04 | Release date: | 2017-12-13 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Function and structure relationships of a beta-1,2-glucooligosaccharide-degrading beta-glucosidase. FEBS Lett., 591, 2017
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6VME
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![BU of 6vme by Molmil](/molmil-images/mine/6vme) | Human ESCRT-I heterotetramer headpiece | Descriptor: | Multivesicular body subunit 12A, Tumor susceptibility gene 101 protein, Vacuolar protein sorting-associated protein 28 homolog, ... | Authors: | Flower, T.G, Hurley, J.H, Tjahjono, N. | Deposit date: | 2020-01-27 | Release date: | 2020-05-20 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.19 Å) | Cite: | A helical assembly of human ESCRT-I scaffolds reverse-topology membrane scission. Nat.Struct.Mol.Biol., 27, 2020
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