7OC4
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![BU of 7oc4 by Molmil](/molmil-images/mine/7oc4) | Alpha-humulene synthase AsR6 from Sarocladium schorii in complex with thiolodiphosphate and a cyclized reaction product. | Descriptor: | (1E,4E,8E)-2,6,6,9-Tetramethyl-1,4-8-cycloundecatriene, (R,R)-2,3-BUTANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ... | Authors: | Schotte, C, Lukat, P, Deuschmann, A, Blankenfeldt, W, Cox, R.J. | Deposit date: | 2021-04-26 | Release date: | 2021-07-07 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | Understanding and Engineering the Stereoselectivity of Humulene Synthase. Angew.Chem.Int.Ed.Engl., 60, 2021
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7L5X
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![BU of 7l5x by Molmil](/molmil-images/mine/7l5x) | p97-R155H mutant dodecamer II | Descriptor: | Transitional endoplasmic reticulum ATPase | Authors: | Nandi, P, Li, S, Coulmbres, R.C.A, Wang, F, Williams, D.R, Malyutin, A.G, Poh, Y.-P, Chou, T.-F, Chiu, P.-L. | Deposit date: | 2020-12-23 | Release date: | 2021-08-04 | Last modified: | 2024-05-29 | Method: | ELECTRON MICROSCOPY (6.1 Å) | Cite: | Structural and Functional Analysis of Disease-Linked p97 ATPase Mutant Complexes. Int J Mol Sci, 22, 2021
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6FMD
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![BU of 6fmd by Molmil](/molmil-images/mine/6fmd) | Targeting myeloid differentiation using potent human dihydroorotate dehydrogenase (hDHODH) inhibitors based on 2-hydroxypyrazolo[1,5-a]pyridine scaffold | Descriptor: | 2-oxidanyl-~{N}-[2,3,5,6-tetrakis(fluoranyl)-4-phenyl-phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide, ACETATE ION, CHLORIDE ION, ... | Authors: | Goyal, P, Jarva, M, Andersson, M, Lolli, M.L, Friemann, R. | Deposit date: | 2018-01-30 | Release date: | 2018-07-11 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | Targeting Myeloid Differentiation Using Potent 2-Hydroxypyrazolo[1,5- a]pyridine Scaffold-Based Human Dihydroorotate Dehydrogenase Inhibitors. J. Med. Chem., 61, 2018
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8B12
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![BU of 8b12 by Molmil](/molmil-images/mine/8b12) | cryo-EM structure of carboxysomal mini-shell: icosahedral assembly from CsoS4A/1A and CsoS2 co-expression (T = 9) | Descriptor: | Carboxysome assembly protein CsoS2B, Carboxysome shell vertex protein CsoS4A, Major carboxysome shell protein CsoS1A | Authors: | Ni, T, Jiang, Q, Liu, L.N, Zhang, P. | Deposit date: | 2022-09-09 | Release date: | 2023-08-23 | Last modified: | 2023-09-20 | Method: | ELECTRON MICROSCOPY (1.86 Å) | Cite: | Intrinsically disordered CsoS2 acts as a general molecular thread for alpha-carboxysome shell assembly. Nat Commun, 14, 2023
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6G0S
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![BU of 6g0s by Molmil](/molmil-images/mine/6g0s) | Crystal Structure of the first bromodomain of human BRD4 in complex with an acetylated SIRT7 peptide (K272ac/K275ac) | Descriptor: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, NAD-dependent protein deacetylase sirtuin-7 | Authors: | Filippakopoulos, P, Picaud, S, Krojer, T, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C. | Deposit date: | 2018-03-19 | Release date: | 2018-11-28 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | Interactome Rewiring Following Pharmacological Targeting of BET Bromodomains. Mol. Cell, 73, 2019
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4XTM
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![BU of 4xtm by Molmil](/molmil-images/mine/4xtm) | Crystal structure of a recombinant Vatairea macrocarpa seed lectin complexed with GalNAc | Descriptor: | 2-acetamido-2-deoxy-alpha-D-galactopyranose, CALCIUM ION, CITRIC ACID, ... | Authors: | Sousa, B.L, Silva-Filho, J.C, Kumar, P, Lyskowski, A, Bezerra, G.A, Delatorre, P, Rocha, B.A.M, Cunha, R.M.S, Nagano, C.S, Gruber, K, Cavada, B.S. | Deposit date: | 2015-01-23 | Release date: | 2016-01-27 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Crystal structure of a recombinant Vatairea macrocarpa seed lectin Int.J.Biochem.Cell Biol., 2016
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4XTP
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![BU of 4xtp by Molmil](/molmil-images/mine/4xtp) | Crystal structure of a recombinant Vatairea macrocarpa seed lectin complexed with Tn antigen | Descriptor: | 2-acetamido-2-deoxy-alpha-D-galactopyranose, CALCIUM ION, CITRIC ACID, ... | Authors: | Sousa, B.L, Silva-Filho, J.C, Kumar, P, Lyskowski, A, Bezerra, G.A, Delatorre, P, Rocha, B.A.M, Cunha, R.M.S, Nagano, C.S, Gruber, K, Cavada, B.S. | Deposit date: | 2015-01-23 | Release date: | 2016-01-27 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | Crystal structure of a recombinant Vatairea macrocarpa seed lectin Int.J.Biochem.Cell Biol., 2016
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7NYB
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![BU of 7nyb by Molmil](/molmil-images/mine/7nyb) | TrmB complex with SAM | Descriptor: | S-ADENOSYLMETHIONINE, tRNA (guanine-N(7)-)-methyltransferase | Authors: | Blersch, K.F, Ficner, R, Neumann, P. | Deposit date: | 2021-03-22 | Release date: | 2021-09-15 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural model of the M7G46 Methyltransferase TrmB in complex with tRNA. Rna Biol., 18, 2021
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7NZI
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![BU of 7nzi by Molmil](/molmil-images/mine/7nzi) | TrmB complex with SAH | Descriptor: | GLYCEROL, S-ADENOSYL-L-HOMOCYSTEINE, tRNA (guanine-N(7)-)-methyltransferase | Authors: | Blersch, K.F, Ficner, R, Neumann, P. | Deposit date: | 2021-03-24 | Release date: | 2021-09-15 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Structural model of the M7G46 Methyltransferase TrmB in complex with tRNA. Rna Biol., 18, 2021
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3KHQ
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![BU of 3khq by Molmil](/molmil-images/mine/3khq) | Crystal structure of murine Ig-beta (CD79b) in the monomeric form | Descriptor: | B-cell antigen receptor complex-associated protein beta chain, CITRATE ANION, GLUTATHIONE, ... | Authors: | Radaev, S, Sun, P.D. | Deposit date: | 2009-10-30 | Release date: | 2010-08-25 | Last modified: | 2019-07-17 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural and Functional Studies of Igalphabeta and Its Assembly with the B Cell Antigen Receptor. Structure, 18, 2010
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5MTF
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![BU of 5mtf by Molmil](/molmil-images/mine/5mtf) | A modular route to novel potent and selective inhibitors of rhomboid intramembrane proteases | Descriptor: | CHLORIDE ION, Rhomboid protease GlpG, inhibitor, ... | Authors: | Ticha, A, Stanchev, S, Vinothkumar, K.R, Mikles, D.C, Pachl, P, Svehlova, K, Nguyen, M.T.N, Verhelst, S.H.L, Johnson, D, Bachovchin, D, Lepsik, M, Majer, P, Strisovsky, K. | Deposit date: | 2017-01-09 | Release date: | 2017-11-15 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | General and Modular Strategy for Designing Potent, Selective, and Pharmacologically Compliant Inhibitors of Rhomboid Proteases. Cell Chem Biol, 24, 2017
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4XX3
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![BU of 4xx3 by Molmil](/molmil-images/mine/4xx3) | |
7NVJ
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![BU of 7nvj by Molmil](/molmil-images/mine/7nvj) | Crystal structure of UFC1 Y110A & F121A | Descriptor: | GLYCEROL, Ubiquitin-fold modifier-conjugating enzyme 1 | Authors: | Manoj Kumar, P, Padala, P, Isupov, M.N, Wiener, R. | Deposit date: | 2021-03-15 | Release date: | 2021-09-29 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural basis for UFM1 transfer from UBA5 to UFC1. Nat Commun, 12, 2021
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7NVK
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![BU of 7nvk by Molmil](/molmil-images/mine/7nvk) | Crystal structure of UBA5 fragment fused to the N-terminus of UFC1 | Descriptor: | Ubiquitin-like modifier-activating enzyme 5,Ubiquitin-fold modifier-conjugating enzyme 1 | Authors: | Manoj Kumar, P, Padala, P, Isupov, M.N, Wiener, R. | Deposit date: | 2021-03-15 | Release date: | 2021-09-29 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.651 Å) | Cite: | Structural basis for UFM1 transfer from UBA5 to UFC1. Nat Commun, 12, 2021
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4XY7
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![BU of 4xy7 by Molmil](/molmil-images/mine/4xy7) | Crystal structure of the complex of ribosome inactivating protein from Momordica balsamina with N-acetylglucosamine at 2.5 A resolution | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Ribosome inactivating protein | Authors: | Yamini, S, Pandey, S, Kaur, P, Sharma, S, Singh, T.P. | Deposit date: | 2015-02-02 | Release date: | 2015-09-23 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal structure of the complex of ribosome inactivating protein from Momordica balsamina with N- acetylglucosamine at 2.5 A resolution To Be Published
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1PVL
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![BU of 1pvl by Molmil](/molmil-images/mine/1pvl) | STRUCTURE OF THE PANTON-VALENTINE LEUCOCIDIN F COMPONENT FROM STAPHYLOCOCCUS AUREUS | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, LEUCOCIDIN | Authors: | Pedelacq, J.D, Mourey, L, Maveyraud, L, Prevost, G, Samama, J.P. | Deposit date: | 1999-01-12 | Release date: | 1999-06-15 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The structure of a Staphylococcus aureus leucocidin component (LukF-PV) reveals the fold of the water-soluble species of a family of transmembrane pore-forming toxins. Structure Fold.Des., 7, 1999
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6N3Z
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![BU of 6n3z by Molmil](/molmil-images/mine/6n3z) | Crystal structure of an epoxide hydrolase from Trichoderma reesei in complex with inhibitor 4 | Descriptor: | Epoxide hydrolase TrEH, N-methyl-4-{[trans-4-({[4-(trifluoromethoxy)phenyl]carbamoyl}amino)cyclohexyl]oxy}benzamide | Authors: | de Oliveira, G.S, Adriani, P.P, Ribeiro, J.A, Morisseau, C, Hammock, B.D, Dias, M.V, Chambergo, F.S. | Deposit date: | 2018-11-16 | Release date: | 2019-11-20 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.238 Å) | Cite: | The molecular structure of an epoxide hydrolase from Trichoderma reesei in complex with urea or amide-based inhibitors. Int. J. Biol. Macromol., 129, 2019
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6N5H
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![BU of 6n5h by Molmil](/molmil-images/mine/6n5h) | Crystal structure of an epoxide hydrolase from Trichoderma reesei in complex with inhibitor 5 | Descriptor: | 4-[(trans-4-{[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]dec-1-ylcarbamoyl]amino}cyclohexyl)oxy]benzoic acid, Epoxide hydrolase TrEH | Authors: | Oliveira, G.S, Adriano, P.P, Ribeiro, J.A, Morisseau, C, Hammock, B.D, Dias, M.V, Chambergo, F.S. | Deposit date: | 2018-11-21 | Release date: | 2019-11-20 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.717 Å) | Cite: | The molecular structure of an epoxide hydrolase from Trichoderma reesei in complex with urea or amide-based inhibitors Int. J. Biol. Macromol., 129, 2019
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5FG5
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![BU of 5fg5 by Molmil](/molmil-images/mine/5fg5) | Crystal structure of the bromodomain of human BRPF1 in complex with PFI-4 chemical probe | Descriptor: | NITRATE ION, Peregrin, ~{N}-(1,3-dimethyl-2-oxidanylidene-6-pyrrolidin-1-yl-benzimidazol-5-yl)-2-methoxy-benzamide | Authors: | Tallant, C, Owen, D.R, Gerstenberger, B.S, Savitsky, P, Chaikuad, A, Fedorov, O, Nunez-Alonso, G, Filippakopoulos, P, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Muller, S, Brennan, P.E, Knapp, S. | Deposit date: | 2015-12-20 | Release date: | 2015-12-30 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Crystal structure of the bromodomain of human BRPF1 in complex with PFI-4 chemical probe To Be Published
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6R49
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![BU of 6r49 by Molmil](/molmil-images/mine/6r49) | Aurora-A in complex with shape-diverse fragment 39 | Descriptor: | (1~{S},10~{S})-12-cyclopropyl-1-oxidanyl-10-propan-2-yl-9,12-diazatricyclo[8.2.1.0^{2,7}]trideca-2(7),3,5-trien-11-one, ADENOSINE-5'-DIPHOSPHATE, Aurora kinase A, ... | Authors: | Bayliss, R, McIntyre, P.J. | Deposit date: | 2019-03-22 | Release date: | 2019-05-08 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.209 Å) | Cite: | Construction of a Shape-Diverse Fragment Set: Design, Synthesis and Screen against Aurora-A Kinase. Chemistry, 25, 2019
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5FTN
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![BU of 5ftn by Molmil](/molmil-images/mine/5ftn) | Cryo-EM structure of human p97 bound to ATPgS (Conformation III) | Descriptor: | MAGNESIUM ION, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, TRANSITIONAL ENDOPLASMIC RETICULUM ATPASE | Authors: | Banerjee, S, Bartesaghi, A, Merk, A, Rao, P, Bulfer, S.L, Yan, Y, Green, N, Mroczkowski, B, Neitz, R.J, Wipf, P, Falconieri, V, Deshaies, R.J, Milne, J.L.S, Huryn, D, Arkin, M, Subramaniam, S. | Deposit date: | 2016-01-14 | Release date: | 2016-01-27 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | 2.3 A Resolution Cryo-Em Structure of Human P97 and Mechanism of Allosteric Inhibition Science, 351, 2016
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5JAE
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![BU of 5jae by Molmil](/molmil-images/mine/5jae) | LeuT in the outward-oriented, Na+-free return state, P21 form at pH 6.5 | Descriptor: | Transporter, octyl beta-D-glucopyranoside | Authors: | Malinauskaite, L, Sahin, C, Said, S, Grouleff, J, Shahsavar, A, Bjerregaard, H, Noer, P, Severinsen, K, Boesen, T, Schiott, B, Sinning, S, Nissen, P. | Deposit date: | 2016-04-12 | Release date: | 2016-06-01 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | A conserved leucine occupies the empty substrate site of LeuT in the Na(+)-free return state. Nat Commun, 7, 2016
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5AJW
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![BU of 5ajw by Molmil](/molmil-images/mine/5ajw) | Human PFKFB3 in complex with an indole inhibitor 2 | Descriptor: | 2-amino-N-[4-(2-amino-1-benzyl-3-cyano-indol-5-yl)oxyphenyl]acetamide, 6-O-phosphono-beta-D-fructofuranose, 6-PHOSPHOFRUCTO-2-KINASE/FRUCTOSE-2,6-BISPHOSPHATASE 3, ... | Authors: | Boyd, S, Brookfield, J.L, Critchlow, S.E, Cumming, I.A, Curtis, N.J, Debreczeni, J.E, Degorce, S.L, Donald, C, Evans, N.J, Groombridge, S, Hopcroft, P, Jones, N.P, Kettle, J.G, Lamont, S, Lewis, H.J, MacFaull, P, McLoughlin, S.B, Rigoreau, L.J.M, Smith, J.M, St-Gallay, S, Stock, J.K, Wheatley, E.R, Winter, J, Wingfield, J. | Deposit date: | 2015-02-27 | Release date: | 2015-04-22 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structure-Based Design of Potent and Selective Inhibitors of the Metabolic Kinase Pfkfb3. J.Med.Chem., 58, 2015
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6N02
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![BU of 6n02 by Molmil](/molmil-images/mine/6n02) | CO-bound Sperm Whale Myoglobin, room temperature structure, first 2 degrees of 5 degree total oscillation | Descriptor: | CARBON MONOXIDE, Myoglobin, CO-bound, ... | Authors: | Finke, A.D, Wierman, J.L, Pare-Labrosse, O, Sarrachini, A, Besaw, J, Mehrabi, P, Gruner, S.M, Miller, R.J.D. | Deposit date: | 2018-11-06 | Release date: | 2019-03-27 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Fixed-target serial oscillation crystallography at room temperature. IUCrJ, 6, 2019
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5FTJ
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![BU of 5ftj by Molmil](/molmil-images/mine/5ftj) | Cryo-EM structure of human p97 bound to UPCDC30245 inhibitor | Descriptor: | 1-(3-(5-FLUORO-1H-INDOL-2-YL)PHENYL)PIPERIDIN-4-YL)(2-(4-ISOPROPYL-PIPERAZIN1-YL)ETHYL)-CARBAMATE, ADENOSINE-5'-DIPHOSPHATE, TRANSITIONAL ENDOPLASMIC RETICULUM ATPASE | Authors: | Banerjee, S, Bartesaghi, A, Merk, A, Rao, P, Bulfer, S.L, Yan, Y, Green, N, Mroczkowski, B, Neitz, R.J, Wipf, P, Falconieri, V, Deshaies, R.J, Milne, J.L.S, Huryn, D, Arkin, M, Subramaniam, S. | Deposit date: | 2016-01-14 | Release date: | 2016-01-27 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (2.3 Å) | Cite: | 2.3 A Resolution Cryo-Em Structure of Human P97 and Mechanism of Allosteric Inhibition Science, 351, 2016
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