5AQS
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![BU of 5aqs by Molmil](/molmil-images/mine/5aqs) | Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues | Descriptor: | BAG FAMILY MOLECULAR CHAPERONE REGULATOR 1, GLYCEROL, HEAT SHOCK COGNATE 71 KDA PROTEIN, ... | Authors: | Jones, A.M, Westwood, I.M, Osborne, J.D, Matthews, T.P, Cheeseman, M.D, Rowlands, M.G, Jeganathan, F, Burke, R, Lee, D, Kadi, N, Liu, M, Richards, M, McAndrew, C, Yahya, N, Dobson, S.E, Jones, K, Workman, P, Collins, I, van Montfort, R.L.M. | Deposit date: | 2015-09-22 | Release date: | 2016-10-05 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | A fragment-based approach applied to a highly flexible target: Insights and challenges towards the inhibition of HSP70 isoforms. Sci Rep, 6, 2016
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5AQJ
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![BU of 5aqj by Molmil](/molmil-images/mine/5aqj) | Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 9H-purine-6,8-diamine, BAG FAMILY MOLECULAR CHAPERONE REGULATOR 1, ... | Authors: | Jones, A.M, Westwood, I.M, Osborne, J.D, Matthews, T.P, Cheeseman, M.D, Rowlands, M.G, Jeganathan, F, Burke, R, Lee, D, Kadi, N, Liu, M, Richards, M, McAndrew, C, Yahya, N, Dobson, S.E, Jones, K, Workman, P, Collins, I, van Montfort, R.L.M. | Deposit date: | 2015-09-22 | Release date: | 2016-10-05 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | A fragment-based approach applied to a highly flexible target: Insights and challenges towards the inhibition of HSP70 isoforms. Sci Rep, 6, 2016
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5AQP
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![BU of 5aqp by Molmil](/molmil-images/mine/5aqp) | Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BAG FAMILY MOLECULAR CHAPERONE REGULATOR 1, DIMETHYL SULFOXIDE, ... | Authors: | Jones, A.M, Westwood, I.M, Osborne, J.D, Matthews, T.P, Cheeseman, M.D, Rowlands, M.G, Jeganathan, F, Burke, R, Lee, D, Kadi, N, Liu, M, Richards, M, McAndrew, C, Yahya, N, Dobson, S.E, Jones, K, Workman, P, Collins, I, van Montfort, R.L.M. | Deposit date: | 2015-09-22 | Release date: | 2016-10-05 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.08 Å) | Cite: | A fragment-based approach applied to a highly flexible target: Insights and challenges towards the inhibition of HSP70 isoforms. Sci Rep, 6, 2016
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5AQT
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![BU of 5aqt by Molmil](/molmil-images/mine/5aqt) | Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues | Descriptor: | (1S,2R,3R,5R)-3-(hydroxymethyl)-5-(quinazolin-4-ylamino)cyclopentane-1,2-diol, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BAG FAMILY MOLECULAR CHAPERONE REGULATOR 1, ... | Authors: | Jones, A.M, Westwood, I.M, Osborne, J.D, Matthews, T.P, Cheeseman, M.D, Rowlands, M.G, Jeganathan, F, Burke, R, Lee, D, Kadi, N, Liu, M, Richards, M, McAndrew, C, Yahya, N, Dobson, S.E, Jones, K, Workman, P, Collins, I, van Montfort, R.L.M. | Deposit date: | 2015-09-22 | Release date: | 2016-10-05 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | A fragment-based approach applied to a highly flexible target: Insights and challenges towards the inhibition of HSP70 isoforms. Sci Rep, 6, 2016
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5AQZ
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![BU of 5aqz by Molmil](/molmil-images/mine/5aqz) | HSP72 with adenosine-derived inhibitor | Descriptor: | 1,2-ETHANEDIOL, HEAT SHOCK 70 KDA PROTEIN 1A, SANGIVAMYCIN | Authors: | Cheeseman, M.D, Westwood, I.M, Barbeau, O, Rowlands, M.G, Jones, A.M, Jeganathan, F, Burke, R, Dobson, S.E, Workman, P, Collins, I, van Montfort, R.L.M, Jones, K. | Deposit date: | 2015-09-22 | Release date: | 2016-05-11 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Exploiting Protein Conformational Change to Optimize Adenosine-Derived Inhibitors of Hsp70. J.Med.Chem., 59, 2016
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5AQW
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![BU of 5aqw by Molmil](/molmil-images/mine/5aqw) | Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues | Descriptor: | (1S,2R,3R,5R)-3-(hydroxymethyl)-5-(quinazolin-4-ylamino)cyclopentane-1,2-diol, (2S,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL, 1,2-ETHANEDIOL, ... | Authors: | Jones, A.M, Westwood, I.M, Osborne, J.D, Matthews, T.P, Cheeseman, M.D, Rowlands, M.G, Jeganathan, F, Burke, R, Lee, D, Kadi, N, Liu, M, Richards, M, McAndrew, C, Yahya, N, Dobson, S.E, Jones, K, Workman, P, Collins, I, van Montfort, R.L.M. | Deposit date: | 2015-09-22 | Release date: | 2016-10-05 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.53 Å) | Cite: | A fragment-based approach applied to a highly flexible target: Insights and challenges towards the inhibition of HSP70 isoforms. Sci Rep, 6, 2016
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5AQM
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![BU of 5aqm by Molmil](/molmil-images/mine/5aqm) | Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BAG FAMILY MOLECULAR CHAPERONE REGULATOR 1, GLYCEROL, ... | Authors: | Jones, A.M, Westwood, I.M, Osborne, J.D, Matthews, T.P, Cheeseman, M.D, Rowlands, M.G, Jeganathan, F, Burke, R, Lee, D, Kadi, N, Liu, M, Richards, M, McAndrew, C, Yahya, N, Dobson, S.E, Jones, K, Workman, P, Collins, I, van Montfort, R.L.M. | Deposit date: | 2015-09-22 | Release date: | 2016-10-05 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | A fragment-based approach applied to a highly flexible target: Insights and challenges towards the inhibition of HSP70 isoforms. Sci Rep, 6, 2016
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5AQY
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![BU of 5aqy by Molmil](/molmil-images/mine/5aqy) | Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues | Descriptor: | 1,2-ETHANEDIOL, ADENOSINE, DIMETHYL SULFOXIDE, ... | Authors: | Jones, A.M, Westwood, I.M, Osborne, J.D, Matthews, T.P, Cheeseman, M.D, Rowlands, M.G, Jeganathan, F, Burke, R, Lee, D, Kadi, N, Liu, M, Richards, M, McAndrew, C, Yahya, N, Dobson, S.E, Jones, K, Workman, P, Collins, I, van Montfort, R.L.M. | Deposit date: | 2015-09-22 | Release date: | 2016-10-05 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.56 Å) | Cite: | A fragment-based approach applied to a highly flexible target: Insights and challenges towards the inhibition of HSP70 isoforms. Sci Rep, 6, 2016
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5AQH
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![BU of 5aqh by Molmil](/molmil-images/mine/5aqh) | Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues | Descriptor: | 5-methyl-1,5-dihydro-1,4,5,6,8-pentaazaacenaphthylen-3-amine, BAG FAMILY MOLECULAR CHAPERONE REGULATOR 1, DIMETHYL SULFOXIDE, ... | Authors: | Jones, A.M, Westwood, I.M, Osborne, J.D, Matthews, T.P, Cheeseman, M.D, Rowlands, M.G, Jeganathan, F, Burke, R, Lee, D, Kadi, N, Liu, M, Richards, M, McAndrew, C, Yahya, N, Dobson, S.E, Jones, K, Workman, P, Collins, I, van Montfort, R.L.M. | Deposit date: | 2015-09-22 | Release date: | 2016-10-05 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | A fragment-based approach applied to a highly flexible target: Insights and challenges towards the inhibition of HSP70 isoforms. Sci Rep, 6, 2016
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3ISS
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![BU of 3iss by Molmil](/molmil-images/mine/3iss) | Crystal structure of enolpyruvyl-UDP-GlcNAc synthase (MurA):UDP-N-acetylmuramic acid:phosphite from Escherichia coli | Descriptor: | PHOSPHITE ION, UDP-N-acetylglucosamine 1-carboxyvinyltransferase, URIDINE-DIPHOSPHATE-2(N-ACETYLGLUCOSAMINYL) BUTYRIC ACID | Authors: | Jackson, S.G, Zhang, F, Chindemi, P, Junop, M.S, Berti, P.J. | Deposit date: | 2009-08-27 | Release date: | 2009-11-24 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Evidence of Kinetic Control of Ligand Binding and Staged Product Release in MurA (Enolpyruvyl UDP-GlcNAc Synthase)-Catalyzed Reactions . Biochemistry, 48, 2009
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4I5I
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![BU of 4i5i by Molmil](/molmil-images/mine/4i5i) | Crystal structure of the SIRT1 catalytic domain bound to NAD and an EX527 analog | Descriptor: | (6S)-2-chloro-5,6,7,8,9,10-hexahydrocyclohepta[b]indole-6-carboxamide, NAD-dependent protein deacetylase sirtuin-1, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | Authors: | Zhao, X, Allison, D, Condon, B, Zhang, F, Gheyi, T, Zhang, A, Ashok, S, Russell, M, Macewan, I, Qian, Y, Jamison, J.A, Luz, J.G. | Deposit date: | 2012-11-28 | Release date: | 2013-01-23 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | The 2.5 angstrom crystal structure of the SIRT1 catalytic domain bound to nicotinamide adenine dinucleotide (NAD+) and an indole (EX527 analogue) reveals a novel mechanism of histone deacetylase inhibition. J.Med.Chem., 56, 2013
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3BUT
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![BU of 3but by Molmil](/molmil-images/mine/3but) | Crystal structure of protein Af_0446 from Archaeoglobus fulgidus | Descriptor: | Uncharacterized protein Af_0446 | Authors: | Bonanno, J.B, Patskovsky, Y, Ozyurt, S, Ashok, S, Zhang, F, Groshong, C, Wasserman, S.R, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | Deposit date: | 2008-01-03 | Release date: | 2008-01-15 | Last modified: | 2021-10-20 | Method: | X-RAY DIFFRACTION (1.91 Å) | Cite: | Crystal structure of protein Af_0446 from Archaeoglobus fulgidus. To be Published
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6RPJ
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![BU of 6rpj by Molmil](/molmil-images/mine/6rpj) | |
5DEJ
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![BU of 5dej by Molmil](/molmil-images/mine/5dej) | Transthyretin natural mutant A19D | Descriptor: | CALCIUM ION, Transthyretin | Authors: | Pereira, H.M, Ferreira, P, Andrade, C, Lima, C, Palhano, F, Foguel, D. | Deposit date: | 2015-08-25 | Release date: | 2016-08-31 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.37 Å) | Cite: | Crystal structure of human Transthyretin natural mutant A19D To Be Published
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7E3X
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![BU of 7e3x by Molmil](/molmil-images/mine/7e3x) | Crystal structure of SDR family NAD(P)-dependent oxidoreductase from exiguobacterium | Descriptor: | NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Oxidoreductase | Authors: | Chen, L, Tang, J, Yuan, S, Zhang, F, Chen, S. | Deposit date: | 2021-02-09 | Release date: | 2021-09-29 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.58 Å) | Cite: | Structure-guided evolution of a ketoreductase forefficient and stereoselective bioreduction of bulkyalpha-aminobeta-keto esters Catalysis Science And Technology, 2021
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7BWN
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![BU of 7bwn by Molmil](/molmil-images/mine/7bwn) | Crystal Structure of a Designed Protein Heterocatenane | Descriptor: | Cellular tumor antigen p53, Chimera of Green fluorescent protein and p53dim | Authors: | Liu, Y.J, Duan, Z.L, Fang, J, Zhang, F, Xiao, J.Y, Zhang, W.B. | Deposit date: | 2020-04-15 | Release date: | 2020-06-17 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.396 Å) | Cite: | Cellular Synthesis and X-ray Crystal Structure of a Designed Protein Heterocatenane. Angew.Chem.Int.Ed.Engl., 59, 2020
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1EIO
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![BU of 1eio by Molmil](/molmil-images/mine/1eio) | ILEAL LIPID BINDING PROTEIN IN COMPLEX WITH GLYCOCHOLATE | Descriptor: | GLYCOCHOLIC ACID, ILEAL LIPID BINDING PROTEIN | Authors: | Luecke, C, Zhang, F, Hamilton, J.A, Sacchettini, J.C, Rueterjans, H. | Deposit date: | 2000-02-27 | Release date: | 2000-05-31 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Solution structure of ileal lipid binding protein in complex with glycocholate. Eur.J.Biochem., 267, 2000
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7LPE
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![BU of 7lpe by Molmil](/molmil-images/mine/7lpe) | Cryo-EM structure of full-length TRPV1 with capsaicin at 48 degrees Celsius, in an open state, class 1 | Descriptor: | (6E)-N-(4-hydroxy-3-methoxybenzyl)-8-methylnon-6-enamide, 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine, Transient receptor potential cation channel subfamily V member 1, ... | Authors: | Kwon, D.H, Zhang, F, Suo, Y, Lee, S.-Y. | Deposit date: | 2021-02-11 | Release date: | 2021-07-28 | Method: | ELECTRON MICROSCOPY (3.72 Å) | Cite: | Heat-dependent opening of TRPV1 in the presence of capsaicin. Nat.Struct.Mol.Biol., 28, 2021
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7LPA
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![BU of 7lpa by Molmil](/molmil-images/mine/7lpa) | Cryo-EM structure of full-length TRPV1 with capsaicin at 4 degrees Celsius | Descriptor: | (6E)-N-(4-hydroxy-3-methoxybenzyl)-8-methylnon-6-enamide, 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine, 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphoglycerol, ... | Authors: | Kwon, D.H, Zhang, F, Suo, Y, Lee, S.-Y. | Deposit date: | 2021-02-11 | Release date: | 2021-07-28 | Method: | ELECTRON MICROSCOPY (3.37 Å) | Cite: | Heat-dependent opening of TRPV1 in the presence of capsaicin. Nat.Struct.Mol.Biol., 28, 2021
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7LPB
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![BU of 7lpb by Molmil](/molmil-images/mine/7lpb) | Cryo-EM structure of full-length TRPV1 with capsaicin at 25 degrees Celsius | Descriptor: | (6E)-N-(4-hydroxy-3-methoxybenzyl)-8-methylnon-6-enamide, 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine, 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphoglycerol, ... | Authors: | Kwon, D.H, Zhang, F, Suo, Y, Lee, S.-Y. | Deposit date: | 2021-02-11 | Release date: | 2021-07-28 | Method: | ELECTRON MICROSCOPY (3.54 Å) | Cite: | Heat-dependent opening of TRPV1 in the presence of capsaicin. Nat.Struct.Mol.Biol., 28, 2021
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7LPD
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![BU of 7lpd by Molmil](/molmil-images/mine/7lpd) | Cryo-EM structure of full-length TRPV1 with capsaicin at 48 degrees Celsius, in an intermediate state, class 2 | Descriptor: | (6E)-N-(4-hydroxy-3-methoxybenzyl)-8-methylnon-6-enamide, 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine, Transient receptor potential cation channel subfamily V member 1, ... | Authors: | Kwon, D.H, Zhang, F, Suo, Y, Lee, S.-Y. | Deposit date: | 2021-02-11 | Release date: | 2021-07-28 | Method: | ELECTRON MICROSCOPY (3.55 Å) | Cite: | Heat-dependent opening of TRPV1 in the presence of capsaicin. Nat.Struct.Mol.Biol., 28, 2021
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7LP9
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![BU of 7lp9 by Molmil](/molmil-images/mine/7lp9) | Cryo-EM structure of full-length TRPV1 at 4 degrees Celsius | Descriptor: | 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine, 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphoglycerol, Phosphatidylinositol, ... | Authors: | Kwon, D.H, Zhang, F, Suo, Y, Lee, S.-Y. | Deposit date: | 2021-02-11 | Release date: | 2021-07-28 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (2.63 Å) | Cite: | Heat-dependent opening of TRPV1 in the presence of capsaicin. Nat.Struct.Mol.Biol., 28, 2021
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7LPC
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![BU of 7lpc by Molmil](/molmil-images/mine/7lpc) | Cryo-EM structure of full-length TRPV1 at 48 degrees Celsius | Descriptor: | 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine, 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphoglycerol, Phosphatidylinositol, ... | Authors: | Kwon, D.H, Zhang, F, Suo, Y, Lee, S.-Y. | Deposit date: | 2021-02-11 | Release date: | 2021-07-28 | Method: | ELECTRON MICROSCOPY (3.06 Å) | Cite: | Heat-dependent opening of TRPV1 in the presence of capsaicin. Nat.Struct.Mol.Biol., 28, 2021
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1EAL
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![BU of 1eal by Molmil](/molmil-images/mine/1eal) | NMR STUDY OF ILEAL LIPID BINDING PROTEIN | Descriptor: | ILEAL LIPID BINDING PROTEIN | Authors: | Luecke, C, Zhang, F, Rueterjans, H, Hamilton, J.A, Sacchettini, J.C. | Deposit date: | 1996-08-28 | Release date: | 1997-01-22 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Flexibility is a likely determinant of binding specificity in the case of ileal lipid binding protein. Structure, 4, 1996
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8UYO
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![BU of 8uyo by Molmil](/molmil-images/mine/8uyo) | |