7UEA
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![BU of 7uea by Molmil](/molmil-images/mine/7uea) | Photosynthetic assembly of Chlorobaculum tepidum (RC-FMO1) | Descriptor: | 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, 2-[(1E,3E,5E,7E,9E,11E,13E,15E,17E,19E)-3,7,12,16,20,24-hexamethylpentacosa-1,3,5,7,9,11,13,15,17,19,23-undecaenyl]-1,3,4-trimethyl-benzene, ... | Authors: | Puskar, R, Truong, C.D, Swain, K, Li, S, Cheng, K.-W, Wang, T.Y, Poh, Y.-P, Liu, H, Chou, T.-F, Nannenga, B, Chiu, P.-L. | Deposit date: | 2022-03-21 | Release date: | 2022-10-05 | Last modified: | 2024-06-12 | Method: | ELECTRON MICROSCOPY (3.49 Å) | Cite: | Molecular asymmetry of a photosynthetic supercomplex from green sulfur bacteria. Nat Commun, 13, 2022
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3QTF
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![BU of 3qtf by Molmil](/molmil-images/mine/3qtf) | Design and SAR of macrocyclic Hsp90 inhibitors with increased metabolic stability and potent cell-proliferation activity | Descriptor: | (6S)-6,15,15,18-tetramethyl-17-oxo-2,3,4,5,6,7,14,15,16,17-decahydro-1H-8,12-(metheno)[1,4,9]triazacyclotetradecino[9,8-a]indole-9-carboxamide, DIMETHYL SULFOXIDE, Heat shock protein HSP 90-alpha | Authors: | Zapf, C.W, Bloom, J.D, McBean, J.L, Dushin, R.G, Nittoli, T, Ingalls, C, Sutherland, A.G, Sonye, J.P, Eid, C.N, Golas, J, Liu, H, Boschelli, F, Hu, Y, Vogan, E.M, Levin, J.I. | Deposit date: | 2011-02-22 | Release date: | 2011-04-06 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.5703 Å) | Cite: | Design and SAR of macrocyclic Hsp90 inhibitors with increased metabolic stability and potent cell-proliferation activity. Bioorg.Med.Chem.Lett., 21, 2011
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7JST
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![BU of 7jst by Molmil](/molmil-images/mine/7jst) | Crystal structure of SARS-CoV-2 3CL in apo form | Descriptor: | 3C-like proteinase, PHOSPHATE ION | Authors: | Iketani, S, Forouhar, F, Liu, H, Hong, S.J, Lin, F.-Y, Nair, M.S, Zask, A, Huang, Y, Xing, L, Stockwell, B.R, Chavez, A, Ho, D.D. | Deposit date: | 2020-08-16 | Release date: | 2021-03-03 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Lead compounds for the development of SARS-CoV-2 3CL protease inhibitors. Nat Commun, 12, 2021
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7JT0
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![BU of 7jt0 by Molmil](/molmil-images/mine/7jt0) | Crystal structure of SARS-CoV-2 3CL protease in complex with MAC5576 | Descriptor: | 3C-like proteinase, PHOSPHATE ION, thiophene-2-carbaldehyde | Authors: | Iketani, S, Forouhar, F, Liu, H, Hong, S.J, Lin, F.-Y, Nair, M.S, Zask, A, Huang, Y, Xing, L, Stockwell, B.R, Chavez, A, Ho, D.D. | Deposit date: | 2020-08-16 | Release date: | 2021-03-10 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | Lead compounds for the development of SARS-CoV-2 3CL protease inhibitors. Nat Commun, 12, 2021
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7JW8
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![BU of 7jw8 by Molmil](/molmil-images/mine/7jw8) | Crystal structure of SARS-CoV-2 3CL protease in complex with compound 4 in space group P1 | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3C-like proteinase, ethyl (4R)-4-[[(2S)-4-methyl-2-[[(2S,3R)-3-[(2-methylpropan-2-yl)oxy]-2-(phenylmethoxycarbonylamino)butanoyl]amino]pentanoyl]amino]-5-[(3S)-2-oxidanylidenepyrrolidin-3-yl]pentanoate | Authors: | Iketani, S, Forouhar, F, Liu, H, Hong, S.J, Lin, F.-Y, Nair, M.S, Zask, A, Xing, L, Stockwell, B.R, Chavez, A, Ho, D.D. | Deposit date: | 2020-08-25 | Release date: | 2021-03-10 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | Lead compounds for the development of SARS-CoV-2 3CL protease inhibitors. Nat Commun, 12, 2021
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7JSU
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![BU of 7jsu by Molmil](/molmil-images/mine/7jsu) | Crystal structure of SARS-CoV-2 3CL protease in complex with GC376 | Descriptor: | 3C-like proteinase, N~2~-[(benzyloxy)carbonyl]-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide, PHOSPHATE ION | Authors: | Iketani, S, Forouhar, F, Liu, H, Hong, S.J, Lin, F.-Y, Nair, M.S, Zask, A, Xing, L, Stockwell, B.R, Chavez, A, Ho, D.D. | Deposit date: | 2020-08-16 | Release date: | 2021-03-10 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | Lead compounds for the development of SARS-CoV-2 3CL protease inhibitors. Nat Commun, 12, 2021
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7JT7
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![BU of 7jt7 by Molmil](/molmil-images/mine/7jt7) | Crystal structure of SARS-CoV-2 3CL protease in complex with compound 4 | Descriptor: | 3C-like proteinase, ethyl (4R)-4-[[(2S)-4-methyl-2-[[(2S,3R)-3-[(2-methylpropan-2-yl)oxy]-2-(phenylmethoxycarbonylamino)butanoyl]amino]pentanoyl]amino]-5-[(3S)-2-oxidanylidenepyrrolidin-3-yl]pentanoate | Authors: | Iketani, S, Forouhar, F, Liu, H, Hong, S.J, Lin, F.-Y, Nair, M.S, Zask, A, Huang, Y, Xing, L, Stockwell, B.R, Chavez, A, Ho, D.D. | Deposit date: | 2020-08-17 | Release date: | 2021-03-17 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Lead compounds for the development of SARS-CoV-2 3CL protease inhibitors. Nat Commun, 12, 2021
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3ZFV
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![BU of 3zfv by Molmil](/molmil-images/mine/3zfv) | Crystal structure of an archaeal CRISPR-associated Cas6 nuclease | Descriptor: | CRISPR-ASSOCIATED ENDORIBONUCLEASE CAS6 1, GLYCEROL | Authors: | Reeks, J, Liu, H, White, M.F, Naismith, J.H. | Deposit date: | 2012-12-12 | Release date: | 2013-04-03 | Last modified: | 2013-05-29 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structure of a Dimeric Crenarchaeal Cas6 Enzyme with an Atypical Active Site for Crispr RNA Processing Biochem.J., 452, 2013
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7JMO
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![BU of 7jmo by Molmil](/molmil-images/mine/7jmo) | Crystal structure of SARS-CoV-2 receptor binding domain in complex with neutralizing antibody COVA2-04 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, COVA2-04 heavy chain, COVA2-04 light chain, ... | Authors: | Wu, N.C, Yuan, M, Liu, H, Zhu, X, Wilson, I.A. | Deposit date: | 2020-08-02 | Release date: | 2020-08-26 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.359 Å) | Cite: | An Alternative Binding Mode of IGHV3-53 Antibodies to the SARS-CoV-2 Receptor Binding Domain. Cell Rep, 33, 2020
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7CRJ
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![BU of 7crj by Molmil](/molmil-images/mine/7crj) | Dark State Structure of Chloride ion pumping rhodopsin (ClR) with NTQ motif | Descriptor: | CHLORIDE ION, Chloride pumping rhodopsin, OLEIC ACID, ... | Authors: | Yun, J.H, Liu, H, Lee, W.T, Schmidt, M. | Deposit date: | 2020-08-13 | Release date: | 2020-09-16 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Early-stage dynamics of chloride ion-pumping rhodopsin revealed by a femtosecond X-ray laser. Proc.Natl.Acad.Sci.USA, 118, 2021
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7JVB
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![BU of 7jvb by Molmil](/molmil-images/mine/7jvb) | Crystal structure of the SARS-CoV-2 spike receptor-binding domain (RBD) with nanobody Nb20 | Descriptor: | CACODYLATE ION, Nanobody Nb20, Spike protein S1 | Authors: | Xiang, Y, Xiao, Z, Liu, H, Sang, Z, Schneidman-Duhovny, D, Zhang, C, Shi, Y. | Deposit date: | 2020-08-20 | Release date: | 2020-12-02 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3.287 Å) | Cite: | Versatile and multivalent nanobodies efficiently neutralize SARS-CoV-2. Science, 370, 2020
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3B3Q
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![BU of 3b3q by Molmil](/molmil-images/mine/3b3q) | Crystal structure of a synaptic adhesion 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, CALCIUM ION, ... | Authors: | Chen, X, Liu, H, Shim, A, Focia, P, He, X. | Deposit date: | 2007-10-22 | Release date: | 2008-01-15 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural basis for synaptic adhesion mediated by neuroligin-neurexin interactions. Nat.Struct.Mol.Biol., 15, 2008
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7JMP
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![BU of 7jmp by Molmil](/molmil-images/mine/7jmp) | Crystal structure of SARS-CoV-2 receptor binding domain in complex with neutralizing antibody COVA2-39 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, COVA2-39 heavy chain, COVA2-39 light chain, ... | Authors: | Wu, N.C, Yuan, M, Liu, H, Zhu, X, Wilson, I.A. | Deposit date: | 2020-08-02 | Release date: | 2020-08-26 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.712 Å) | Cite: | An Alternative Binding Mode of IGHV3-53 Antibodies to the SARS-CoV-2 Receptor Binding Domain. Cell Rep, 33, 2020
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7CRI
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![BU of 7cri by Molmil](/molmil-images/mine/7cri) | 1 ps Structure of Chloride ion pumping rhodopsin (ClR) with NTQ motif | Descriptor: | CHLORIDE ION, Chloride pumping rhodopsin, OLEIC ACID, ... | Authors: | Yun, J.H, Liu, H, Lee, W.T, Schmidt, M. | Deposit date: | 2020-08-13 | Release date: | 2020-09-30 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Early-stage dynamics of chloride ion-pumping rhodopsin revealed by a femtosecond X-ray laser. Proc.Natl.Acad.Sci.USA, 118, 2021
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8FT4
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![BU of 8ft4 by Molmil](/molmil-images/mine/8ft4) | Multicrystal structure of Na+, leucine-bound LeuT determined at 5 keV | Descriptor: | CHLORIDE ION, LEUCINE, Na(+):neurotransmitter symporter (Snf family), ... | Authors: | Karasawa, A, Liu, H, Quick, M, Hendrickson, A.H, Liu, Q. | Deposit date: | 2023-01-11 | Release date: | 2023-11-22 | Method: | X-RAY DIFFRACTION (4 Å) | Cite: | Crystallographic characterization of sodium ions in a bacterial leucine/sodium symporter To be Published
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8FT5
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![BU of 8ft5 by Molmil](/molmil-images/mine/8ft5) | Crystal structure of LeuT soaked with Crown-5 | Descriptor: | CHLORIDE ION, LEUCINE, Na(+):neurotransmitter symporter (Snf family), ... | Authors: | Karasawa, A, Liu, H, Quick, M, Hendrickson, A.H, Liu, Q. | Deposit date: | 2023-01-11 | Release date: | 2023-11-22 | Method: | X-RAY DIFFRACTION (3.8 Å) | Cite: | Crystallographic characterization of sodium ions in a bacterial leucine/sodium symporter To be Published
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4AVF
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![BU of 4avf by Molmil](/molmil-images/mine/4avf) | Crystal structure of Pseudomonas aeruginosa inosine 5'-monophosphate dehydrogenase | Descriptor: | INOSINE-5'-MONOPHOSPHATE DEHYDROGENASE | Authors: | McMahon, S.A, Moynie, L, Liu, H, Duthie, F, Naismith, J.H. | Deposit date: | 2012-05-25 | Release date: | 2013-01-09 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.23 Å) | Cite: | The Aeropath Project Targeting Pseudomonas Aeruginosa: Crystallographic Studies for Assessment of Potential Targets in Early-Stage Drug Discovery Acta Crystallogr.,Sect.F, 69, 2013
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3ZIF
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![BU of 3zif by Molmil](/molmil-images/mine/3zif) | Cryo-EM structures of two intermediates provide insight into adenovirus assembly and disassembly | Descriptor: | HEXON PROTEIN, PENTON PROTEIN, PIX, ... | Authors: | Cheng, L, Huang, X, Li, X, Xiong, W, Sun, W, Yang, C, Zhang, K, Wang, Y, Liu, H, Ji, G, Sun, F, Zheng, C, Zhu, P. | Deposit date: | 2013-01-09 | Release date: | 2014-01-22 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (4.5 Å) | Cite: | Cryo-Em Structures of Two Bovine Adenovirus Type 3 Intermediates Virology, 450, 2014
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7CRL
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![BU of 7crl by Molmil](/molmil-images/mine/7crl) | Structure of Chloride ion pumping rhodopsin (ClR) with NTQ motif 50 ps after light activation | Descriptor: | CHLORIDE ION, Chloride pumping rhodopsin, OLEIC ACID, ... | Authors: | Yun, J.H, Liu, H, Lee, W.T, Schmidt, M. | Deposit date: | 2020-08-13 | Release date: | 2021-04-14 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Early-stage dynamics of chloride ion-pumping rhodopsin revealed by a femtosecond X-ray laser. Proc.Natl.Acad.Sci.USA, 118, 2021
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7CRY
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![BU of 7cry by Molmil](/molmil-images/mine/7cry) | Structure of Chloride ion pumping rhodopsin (ClR) with NTQ motif 100 ps after light activation (6.49 mJ/mm2) | Descriptor: | CHLORIDE ION, Chloride pumping rhodopsin, OLEIC ACID, ... | Authors: | Yun, J.H, Liu, H, Lee, W.T, Schmidt, M. | Deposit date: | 2020-08-14 | Release date: | 2021-04-14 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Early-stage dynamics of chloride ion-pumping rhodopsin revealed by a femtosecond X-ray laser. Proc.Natl.Acad.Sci.USA, 118, 2021
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7CRK
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![BU of 7crk by Molmil](/molmil-images/mine/7crk) | 2ps Structure of Chloride ion pumping rhodopsin (ClR) with NTQ motif | Descriptor: | CHLORIDE ION, Chloride pumping rhodopsin, OLEIC ACID, ... | Authors: | Yun, J.H, Liu, H, Lee, W.T, Schmidt, M. | Deposit date: | 2020-08-13 | Release date: | 2021-04-14 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Early-stage dynamics of chloride ion-pumping rhodopsin revealed by a femtosecond X-ray laser. Proc.Natl.Acad.Sci.USA, 118, 2021
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7CRX
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![BU of 7crx by Molmil](/molmil-images/mine/7crx) | Structure of Chloride ion pumping rhodopsin (ClR) with NTQ motif 100 ps after light activation (2.63mJ/mm2) | Descriptor: | CHLORIDE ION, Chloride pumping rhodopsin, OLEIC ACID, ... | Authors: | Yun, J.H, Liu, H, Lee, W.T, Schmidt, M. | Deposit date: | 2020-08-14 | Release date: | 2021-04-14 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Early-stage dynamics of chloride ion-pumping rhodopsin revealed by a femtosecond X-ray laser. Proc.Natl.Acad.Sci.USA, 118, 2021
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7CRT
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![BU of 7crt by Molmil](/molmil-images/mine/7crt) | Structure of Chloride ion pumping rhodopsin (ClR) with NTQ motif 100 ps after light activation (0.17mJ/mm2) | Descriptor: | CHLORIDE ION, Chloride pumping rhodopsin, OLEIC ACID, ... | Authors: | Yun, J.H, Liu, H, Lee, W.T, Schmidt, M. | Deposit date: | 2020-08-14 | Release date: | 2021-04-14 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Early-stage dynamics of chloride ion-pumping rhodopsin revealed by a femtosecond X-ray laser. Proc.Natl.Acad.Sci.USA, 118, 2021
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7CRS
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![BU of 7crs by Molmil](/molmil-images/mine/7crs) | Structure of Chloride ion pumping rhodopsin (ClR) with NTQ motif 100 ps after light activation (0.90mJ/mm2) | Descriptor: | CHLORIDE ION, Chloride pumping rhodopsin, OLEIC ACID, ... | Authors: | Yun, J.H, Liu, H, Lee, W.T, Schmidt, M. | Deposit date: | 2020-08-14 | Release date: | 2021-04-14 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Early-stage dynamics of chloride ion-pumping rhodopsin revealed by a femtosecond X-ray laser. Proc.Natl.Acad.Sci.USA, 118, 2021
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4A3P
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![BU of 4a3p by Molmil](/molmil-images/mine/4a3p) | Structure of USP15 DUSP-UBL deletion mutant | Descriptor: | ACETATE ION, IODIDE ION, UBIQUITIN CARBOXYL-TERMINAL HYDROLASE 15 | Authors: | Elliott, P.R, Liu, H, Pastok, M.W, Grossmann, G.J, Rigden, D.J, Clague, M.J, Urbe, S, Barsukov, I.L. | Deposit date: | 2011-10-03 | Release date: | 2011-11-16 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Structural Variability of the Ubiquitin Specific Protease Dusp-Ubl Double Domains. FEBS Lett., 585, 2011
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