7OMM
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![BU of 7omm by Molmil](/molmil-images/mine/7omm) | Cryo-EM structure of N. gonorhoeae LptDE in complex with ProMacrobodies (MBPs have not been built de novo) | Descriptor: | LPS-assembly lipoprotein LptE, LPS-assembly protein LptD, ProMacrobody 21,Maltodextrin-binding protein, ... | Authors: | Botte, M, Ni, D, Schenck, S, Zimmermann, I, Chami, M, Bocquet, N, Egloff, P, Bucher, D, Trabuco, M, Cheng, R.K.Y, Brunner, J.D, Seeger, M.A, Stahlberg, H, Hennig, M. | Deposit date: | 2021-05-24 | Release date: | 2022-05-04 | Last modified: | 2022-05-11 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Cryo-EM structures of a LptDE transporter in complex with Pro-macrobodies offer insight into lipopolysaccharide translocation. Nat Commun, 13, 2022
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2ZAF
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![BU of 2zaf by Molmil](/molmil-images/mine/2zaf) | Mechanistic and Structural Analyses of the Roles of Arg409 and Asp402 in the Reaction of the Flavoprotein Nitroalkane Oxidase | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, Nitroalkane oxidase | Authors: | Fitzpatrick, P.F, Bozinovski, D.M, Heroux, A, Shaw, P.G, Valley, M.P, Orville, A.M. | Deposit date: | 2007-10-05 | Release date: | 2008-06-03 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Mechanistic and structural analyses of the roles of Arg409 and Asp402 in the reaction of the flavoprotein nitroalkane oxidase. Biochemistry, 46, 2007
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4WSS
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![BU of 4wss by Molmil](/molmil-images/mine/4wss) | The crystal structure of hemagglutinin form A/chicken/New York/14677-13/1998 in complex with LSTa | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin, ... | Authors: | Yang, H, Carney, P.J, Chang, J.C, Villanueva, J.M, Stevens, J. | Deposit date: | 2014-10-28 | Release date: | 2015-02-25 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structure and receptor binding preferences of recombinant hemagglutinins from avian and human h6 and h10 influenza a virus subtypes. J.Virol., 89, 2015
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4WSV
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![BU of 4wsv by Molmil](/molmil-images/mine/4wsv) | The crystal structure of hemagglutinin from A/Taiwan/1/2013 in complex with 6'SLN | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin HA1 chain, Hemagglutinin HA2 chain, ... | Authors: | Yang, H, Carney, P.J, Chang, J.C, Villanueva, J.M, Stevens, J. | Deposit date: | 2014-10-28 | Release date: | 2015-02-25 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Structure and receptor binding preferences of recombinant hemagglutinins from avian and human h6 and h10 influenza a virus subtypes. J.Virol., 89, 2015
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4PW9
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6ER0
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![BU of 6er0 by Molmil](/molmil-images/mine/6er0) | 6th KOW domain of human hSpt5 | Descriptor: | Transcription elongation factor SPT5 | Authors: | Hahn, L, Schweimer, K, Roesch, P, Woehrl, B.M. | Deposit date: | 2017-10-16 | Release date: | 2018-10-31 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Structure and nucleic acid binding properties of KOW domains 4 and 6-7 of human transcription elongation factor DSIF. Sci Rep, 8, 2018
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7VVP
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![BU of 7vvp by Molmil](/molmil-images/mine/7vvp) | Crystal structure of SARS-Cov-2 main protease in complex with PF07304814 | Descriptor: | 3C-like proteinase, [(3~{S})-3-[[(2~{S})-2-[(4-methoxy-1~{H}-indol-2-yl)carbonylamino]-4-methyl-pentanoyl]amino]-2-oxidanylidene-4-[(3~{R})-2-oxidanylidene-3,4-dihydropyrrol-3-yl]butyl] dihydrogen phosphate | Authors: | Zhou, X.L, Zhong, F.L, Lin, C, Zeng, P, Zhang, J, Li, J. | Deposit date: | 2021-11-07 | Release date: | 2022-08-24 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | Structural Basis of Main Proteases of Coronavirus Bound to Drug Candidate PF-07304814 J.Mol.Biol., 434, 2022
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7CDL
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![BU of 7cdl by Molmil](/molmil-images/mine/7cdl) | holo-methanol dehydrogenase (MDH) with Cys131-Cys132 reduced from Methylococcus capsulatus (Bath) | Descriptor: | CALCIUM ION, Methanol dehydrogenase [cytochrome c] subunit 2, Methanol dehydrogenase protein, ... | Authors: | Chuankhayan, P, Chan, S.I, Nareddy, P.K.R, Tsai, I.K, Tsai, Y.F, Chen, K.H.-C, Yu, S.S.-F, Chen, C.J. | Deposit date: | 2020-06-20 | Release date: | 2021-06-23 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Mechanism of Pyrroloquinoline Quinone-Dependent Hydride Transfer Chemistry from Spectroscopic and High-Resolution X-ray Structural Studies of the Methanol Dehydrogenase from Methylococcus capsulatus (Bath). J.Am.Chem.Soc., 143, 2021
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6TWV
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![BU of 6twv by Molmil](/molmil-images/mine/6twv) | Crystal structure of the haemagglutinin mutant (Gln226Leu) from an H10N7 seal influenza virus isolated in Germany with human receptor analogue, 6'SLN | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Hemagglutinin HA1, ... | Authors: | Zhang, J, Xiong, X, Purkiss, A, Walker, P, Gamblin, S, Skehel, J.J. | Deposit date: | 2020-01-13 | Release date: | 2020-10-21 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Hemagglutinin Traits Determine Transmission of Avian A/H10N7 Influenza Virus between Mammals. Cell Host Microbe, 28, 2020
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4GJP
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![BU of 4gjp by Molmil](/molmil-images/mine/4gjp) | Crystal structure of the TAL effector dHax3 bound to dsDNA containing repetitive methyl-CpG | Descriptor: | DNA (5'-D(*AP*GP*AP*GP*AP*CP*GP*CP*GP*AP*AP*GP*GP*GP*AP*CP*A)-3'), DNA (5'-D(*TP*GP*TP*CP*CP*CP*TP*TP*(5CM)P*GP*(5CM)P*GP*TP*CP*TP*CP*T)-3'), Hax3, ... | Authors: | Yan, N, Deng, D, Yan, C.Y, Yin, P, Pan, X.J, Shi, Y.G. | Deposit date: | 2012-08-10 | Release date: | 2012-10-03 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Crystal structure of a protein complex To be Published
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8T6N
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![BU of 8t6n by Molmil](/molmil-images/mine/8t6n) | Crystal structure of T33-27.1: Deep-learning sequence design of co-assembling tetrahedron protein nanoparticles | Descriptor: | T33-27.1 : A, T33-27.1 : B | Authors: | Bera, A.K, de Haas, R.J, Kang, A, Sankaran, B, King, N.P. | Deposit date: | 2023-06-16 | Release date: | 2024-04-24 | Method: | X-RAY DIFFRACTION (3.63 Å) | Cite: | Rapid and automated design of two-component protein nanomaterials using ProteinMPNN. Proc.Natl.Acad.Sci.USA, 121, 2024
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4WZY
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![BU of 4wzy by Molmil](/molmil-images/mine/4wzy) | Structure of mycobacterial maltokinase, the missing link in the essential GlgE-pathway (ATP complex) | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Maltokinase | Authors: | Fraga, J, Empadinhas, N, Pereira, P.J.B, Macedo-Ribeiro, S. | Deposit date: | 2014-11-20 | Release date: | 2015-02-11 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.71 Å) | Cite: | Structure of mycobacterial maltokinase, the missing link in the essential GlgE-pathway. Sci Rep, 5, 2015
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1B5K
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![BU of 1b5k by Molmil](/molmil-images/mine/1b5k) | 3,N4-ETHENO-2'-DEOXYCYTIDINE OPPOSITE THYMIDINE IN AN 11-MER DUPLEX, SOLUTION STRUCTURE FROM NMR AND MOLECULAR DYNAMICS | Descriptor: | DNA (5'-D(*CP*GP*TP*AP*CP*EDCP*CP*AP*TP*GP*C)-3'), DNA (5'-D(*GP*CP*AP*TP*GP*TP*GP*TP*AP*CP*G)-3') | Authors: | Cullinan, D, Korobka, A, Grollman, A.P, Patel, D.J, Eisenberg, M, De Santos, C.L. | Deposit date: | 1999-01-07 | Release date: | 1999-01-13 | Last modified: | 2023-12-27 | Method: | SOLUTION NMR | Cite: | NMR solution structure of an oligodeoxynucleotide duplex containing the exocyclic lesion 3,N4-etheno-2'-deoxycytidine opposite thymidine: comparison with the duplex containing deoxyadenosine opposite the adduct. Biochemistry, 35, 1996
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7CFX
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![BU of 7cfx by Molmil](/molmil-images/mine/7cfx) | NAD-soaked Holo-methanol dehydrogenase (MDH) from Methylococcus capsulatus (Bath) | Descriptor: | CALCIUM ION, Methanol dehydrogenase [cytochrome c] subunit 2, Methanol dehydrogenase protein, ... | Authors: | Chuankhayan, P, Chan, S.I, Nareddy, P.K.R, Tsai, I.K, Tsai, Y.F, Chen, K.H.-C, Yu, S.S.-F, Chen, C.J. | Deposit date: | 2020-06-29 | Release date: | 2021-06-30 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Mechanism of Pyrroloquinoline Quinone-Dependent Hydride Transfer Chemistry from Spectroscopic and High-Resolution X-ray Structural Studies of the Methanol Dehydrogenase from Methylococcus capsulatus (Bath). J.Am.Chem.Soc., 143, 2021
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8TO2
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![BU of 8to2 by Molmil](/molmil-images/mine/8to2) | Bottom cylinder of high-resolution phycobilisome quenched by OCP (local refinement) | Descriptor: | Allophycocyanin alpha chain, Allophycocyanin beta chain, Allophycocyanin subunit alpha-B, ... | Authors: | Sauer, P.V, Sutter, M, Cupellini, L. | Deposit date: | 2023-08-02 | Release date: | 2024-04-17 | Method: | ELECTRON MICROSCOPY (2 Å) | Cite: | Structural and quantum chemical basis for OCP-mediated quenching of phycobilisomes. Sci Adv, 10, 2024
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7CED
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![BU of 7ced by Molmil](/molmil-images/mine/7ced) | Apo-methanol dehydrogenase (MDH) from Methylococcus capsulatus (Bath) | Descriptor: | Methanol dehydrogenase [cytochrome c] subunit 2, Methanol dehydrogenase protein, large subunit | Authors: | Chuankhayan, P, Chan, S.I, Nareddy, P.K.R, Tsai, I.K, Tsai, Y.F, Chen, K.H.-C, Yu, S.S.-F, Chen, C.J. | Deposit date: | 2020-06-22 | Release date: | 2021-06-30 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Mechanism of Pyrroloquinoline Quinone-Dependent Hydride Transfer Chemistry from Spectroscopic and High-Resolution X-ray Structural Studies of the Methanol Dehydrogenase from Methylococcus capsulatus (Bath). J.Am.Chem.Soc., 143, 2021
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6AAU
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![BU of 6aau by Molmil](/molmil-images/mine/6aau) | Solution Structure for m62A helix 45 in 3' end of 12S rRNA | Descriptor: | RNA (24-mer) | Authors: | Liu, X, Wu, P. | Deposit date: | 2018-07-19 | Release date: | 2019-06-05 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Structural insights into dimethylation of 12S rRNA by TFB1M: indispensable role in translation of mitochondrial genes and mitochondrial function. Nucleic Acids Res., 47, 2019
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7CE5
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![BU of 7ce5 by Molmil](/molmil-images/mine/7ce5) | Methanol-PQQ bound methanol dehydrogenase (MDH) from Methylococcus capsulatus (Bath) | Descriptor: | CALCIUM ION, METHANOL, Methanol dehydrogenase [cytochrome c] subunit 2, ... | Authors: | Chuankhayan, P, Chan, S.I, Nareddy, P.K.R, Tsai, I.K, Tsai, Y.F, Chen, K.H.-C, Yu, S.S.-F, Chen, C.J. | Deposit date: | 2020-06-22 | Release date: | 2021-06-30 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Mechanism of Pyrroloquinoline Quinone-Dependent Hydride Transfer Chemistry from Spectroscopic and High-Resolution X-ray Structural Studies of the Methanol Dehydrogenase from Methylococcus capsulatus (Bath). J.Am.Chem.Soc., 143, 2021
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5A81
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![BU of 5a81 by Molmil](/molmil-images/mine/5a81) | Crystal structure of human ATAD2 bromodomain in complex with 8-(3R,4R) -3-(cyclohexylmethoxy)piperidin-4-yl-amino-3-methyl-1,2-dihydro-1,7- naphthyridin-2-one | Descriptor: | (3R,4R)-3-(cyclohexylmethoxy)piperidin-4-yl]amino}-3-methyl-1,2-dihydro-1,7-naphthyridin-2-one, 1,2-ETHANEDIOL, ATPASE FAMILY AAA DOMAIN-CONTAINING PROTEIN 2, ... | Authors: | Chung, C, Bamborough, P, Demont, E. | Deposit date: | 2015-07-11 | Release date: | 2015-08-12 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | Structure-Based Optimization of Naphthyridones Into Potent Atad2 Bromodomain Inhibitors. J.Med.Chem., 58, 2015
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7CE9
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![BU of 7ce9 by Molmil](/molmil-images/mine/7ce9) | PQQ-soaked Apo-methanol dehydrogenase (MDH) from Methylococcus capsulatus (Bath) | Descriptor: | CALCIUM ION, Methanol dehydrogenase [cytochrome c] subunit 2, Methanol dehydrogenase protein, ... | Authors: | Chuankhayan, P, Chan, S.I, Nareddy, P.K.R, Tsai, I.K, Tsai, Y.F, Chen, K.H.-C, Yu, S.S.-F, Chen, C.J. | Deposit date: | 2020-06-22 | Release date: | 2021-06-30 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Mechanism of Pyrroloquinoline Quinone-Dependent Hydride Transfer Chemistry from Spectroscopic and High-Resolution X-ray Structural Studies of the Methanol Dehydrogenase from Methylococcus capsulatus (Bath). J.Am.Chem.Soc., 143, 2021
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4AXA
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![BU of 4axa by Molmil](/molmil-images/mine/4axa) | Structure of PKA-PKB chimera complexed with (1S)-2-amino-1-(4- chlorophenyl)-1-(4-(1H-pyrazol-4-yl)phenyl)ethan-1-ol | Descriptor: | (2S)-2-(4-chlorophenyl)-2-hydroxy-2-[4-(1H-pyrazol-4-yl)phenyl]ethanaminium, CAMP-DEPENDENT PROTEIN KINASE CATALYTIC SUBUNIT ALPHA, CAMP-DEPENDENT PROTEIN KINASE INHIBITOR ALPHA | Authors: | Davies, T.G, Yap, T.A, Walton, M.I, Grimshaw, K.M, tePoele, R.H, Eve, P.D, Valenti, M.R, deHavenBrandon, A.K, Martins, V, Zetterlund, A, Heaton, S.P, Heinzmann, K, Jones, P.S, Feltell, R.E, Reule, M, Woodhead, S.J, Lyons, J.F, Raynaud, F.I, Eccles, S.A, Workman, P, Thompson, N.T, Garrett, M.D. | Deposit date: | 2012-06-12 | Release date: | 2012-07-25 | Last modified: | 2013-02-06 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | At13148 is a Novel, Oral Multi-Agc Kinase Inhibitor with Potent Pharmacodynamic and Antitumor Activity. Clin.Cancer Res., 18, 2012
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7P8Q
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![BU of 7p8q by Molmil](/molmil-images/mine/7p8q) | Structure of E.coli RlmJ in complex with an RNA conjugate (GA-SAM) | Descriptor: | 5'-{[(3S)-3-amino-3-carboxypropyl](3-aminopropyl)amino}-5'-deoxyadenosine, RNA conjugate (GA-SAM), Ribosomal RNA large subunit methyltransferase J | Authors: | Meynier, V, Catala, M, Oerum, S, Barraud, P, Tisne, C. | Deposit date: | 2021-07-23 | Release date: | 2022-06-01 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.289 Å) | Cite: | Synthesis of RNA-cofactor conjugates and structural exploration of RNA recognition by an m6A RNA methyltransferase. Nucleic Acids Res., 50, 2022
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4G0F
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![BU of 4g0f by Molmil](/molmil-images/mine/4g0f) | Crystal structure of the complex of a human telomeric repeat G-quadruplex and N-methyl mesoporphyrin IX (P6) | Descriptor: | DNA (5'-D(*AP*GP*GP*GP*TP*TP*AP*GP*GP*GP*TP*TP*AP*GP*GP*GP*TP*TP*AP*GP*GP*G)-3'), N-METHYLMESOPORPHYRIN, POTASSIUM ION | Authors: | Nicoludis, J.M, Miller, S.T, Jeffrey, P, Lawton, T.J, Rosenzweig, A.C, Yatsunyk, L.A. | Deposit date: | 2012-07-09 | Release date: | 2012-12-26 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Optimized End-Stacking Provides Specificity of N-Methyl Mesoporphyrin IX for Human Telomeric G-Quadruplex DNA. J.Am.Chem.Soc., 134, 2012
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6TYB
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![BU of 6tyb by Molmil](/molmil-images/mine/6tyb) | |
3I2Z
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![BU of 3i2z by Molmil](/molmil-images/mine/3i2z) | Structure of cold shock protein E from Salmonella typhimurium | Descriptor: | RNA chaperone, negative regulator of cspA transcription | Authors: | Morgan, H.P, McNae, I, Wear, M.A, Gallagher, M, Walkinshaw, M.D. | Deposit date: | 2009-06-30 | Release date: | 2009-12-22 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Crystallization and X-ray structure of cold-shock protein E from Salmonella typhimurium Acta Crystallogr.,Sect.F, 65, 2009
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