1JIN
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![BU of 1jin by Molmil](/molmil-images/mine/1jin) | P450eryF/ketoconazole | Descriptor: | CIS-1-ACETYL-4-(4-((2-(2,4-DICHLOROPHENYL)-2-(1H-IMIDAZOL-1-YLMETHYL)-1,3-DIOXOLAN-4-YL)METHOXY)PHENYL)PIPERAZINE, CYTOCHROME P450 107A1, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Cupp-Vickery, J.R, Garcia, C, Hofacre, A, McGee-Estrada, K. | Deposit date: | 2001-07-02 | Release date: | 2001-10-17 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Ketoconazole-induced conformational changes in the active site of cytochrome P450eryF. J.Mol.Biol., 311, 2001
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7SSV
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![BU of 7ssv by Molmil](/molmil-images/mine/7ssv) | Structure of human Kv1.3 with Fab-ShK fusion | Descriptor: | Fab-ShK fusion, heavy chain, light chain, ... | Authors: | Meyerson, J.R, Selvakumar, P, Smider, V, Huang, R. | Deposit date: | 2021-11-11 | Release date: | 2022-06-29 | Last modified: | 2022-07-20 | Method: | ELECTRON MICROSCOPY (3.39 Å) | Cite: | Structures of the T cell potassium channel Kv1.3 with immunoglobulin modulators. Nat Commun, 13, 2022
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2HE9
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![BU of 2he9 by Molmil](/molmil-images/mine/2he9) | Structure of the peptidylprolyl isomerase domain of the human NK-tumour recognition protein | Descriptor: | NK-tumor recognition protein, SULFATE ION | Authors: | Walker, J.R, Davis, T, Newman, E.M, MacKenzie, F, Butler-Cole, C, Finerty Jr, P.J, Weigelt, J, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC) | Deposit date: | 2006-06-21 | Release date: | 2006-07-18 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural and biochemical characterization of the human cyclophilin family of peptidyl-prolyl isomerases. PLoS Biol., 8, 2010
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1JMQ
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![BU of 1jmq by Molmil](/molmil-images/mine/1jmq) | YAP65 (L30K mutant) WW domain in Complex with GTPPPPYTVG peptide | Descriptor: | 65 KDA YES-ASSOCIATED PROTEIN, WW Domain Binding Protein-1 | Authors: | Pires, J.R, Taha-Nejad, F, Toepert, F, Ast, T, Hoffmuller, U, Schneider-Mergener, J, Kuhne, R, Macias, M.J, Oschkinat, H. | Deposit date: | 2001-07-19 | Release date: | 2001-12-21 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Solution structures of the YAP65 WW domain and the variant L30 K in complex with the peptides GTPPPPYTVG, N-(n-octyl)-GPPPY and PLPPY and the application of peptide libraries reveal a minimal binding epitope. J.Mol.Biol., 314, 2001
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4MGQ
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![BU of 4mgq by Molmil](/molmil-images/mine/4mgq) | PbXyn10C CBM APO | Descriptor: | CALCIUM ION, Glycosyl hydrolase family 10 | Authors: | Chekan, J.R, Nair, S.K. | Deposit date: | 2013-08-28 | Release date: | 2014-08-20 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.68 Å) | Cite: | Xylan utilization in human gut commensal bacteria is orchestrated by unique modular organization of polysaccharide-degrading enzymes. Proc.Natl.Acad.Sci.USA, 111, 2014
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8U4U
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![BU of 8u4u by Molmil](/molmil-images/mine/8u4u) | |
4LT0
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![BU of 4lt0 by Molmil](/molmil-images/mine/4lt0) | HEWL co-crystallized with Carboplatin in non-NaCl conditions: crystal 1 processed using the EVAL software package | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, DIMETHYL SULFOXIDE, Lysozyme C, ... | Authors: | Tanley, S.W.M, Diederichs, K, Kroon-Batenburg, L.M.J, Schreurs, A.M.M, Helliwell, J.R. | Deposit date: | 2013-07-23 | Release date: | 2014-07-23 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Carboplatin binding to histidine. Acta Crystallogr.,Sect.F, 70, 2014
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2HEQ
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![BU of 2heq by Molmil](/molmil-images/mine/2heq) | NMR Structure of Bacillus subtilis protein YorP, Northeast Structural Genomics Target SR399. | Descriptor: | YorP protein | Authors: | Ramelot, T.A, Cort, J.R, Wang, D, Janjua, H, Cunningham, K, Ma, L.-C, Xiao, R, Liu, J, Baran, M, Swapna, G.V.T, Acton, T.B, Rost, B, Montelione, G.M, Kennedy, M.A, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2006-06-21 | Release date: | 2006-08-15 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | NMR Structure of Bacillus subtilis protein YorP, Northeast Structural Genomics Target SR399. To be Published
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8PQL
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![BU of 8pql by Molmil](/molmil-images/mine/8pql) | K48-linked ubiquitin chain formation with a cullin-RING E3 ligase and Cdc34: NEDD8-CUL2-RBX1-ELOB/C-FEM1C with trapped UBE2R2-donor UB-acceptor UB-SIL1 peptide | Descriptor: | 5-azanylpentan-2-one, Cullin-2, E3 ubiquitin-protein ligase RBX1, ... | Authors: | Liwocha, J, Prabu, J.R, Kleiger, G, Schulman, B.A. | Deposit date: | 2023-07-11 | Release date: | 2024-02-14 | Last modified: | 2024-04-17 | Method: | ELECTRON MICROSCOPY (3.76 Å) | Cite: | Mechanism of millisecond Lys48-linked poly-ubiquitin chain formation by cullin-RING ligases. Nat.Struct.Mol.Biol., 31, 2024
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1K9Q
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![BU of 1k9q by Molmil](/molmil-images/mine/1k9q) | YAP65 WW domain complexed to N-(n-octyl)-GPPPY-NH2 | Descriptor: | 65 kDa Yes-associated protein, N-OCTANE, WW domain binding protein-1 | Authors: | Pires, J.R, Taha-Nejad, F, Toepert, F, Ast, T, Hoffmuller, U, Schneider-Mergener, J, Kuhne, R, Macias, M.J, Oschkinat, H. | Deposit date: | 2001-10-30 | Release date: | 2001-12-28 | Last modified: | 2021-11-10 | Method: | SOLUTION NMR | Cite: | Solution structures of the YAP65 WW domain and the variant L30 K in complex with the peptides GTPPPPYTVG, N-(n-octyl)-GPPPY and PLPPY and the application of peptide libraries reveal a minimal binding epitope. J.Mol.Biol., 314, 2001
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8TTB
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![BU of 8ttb by Molmil](/molmil-images/mine/8ttb) | Cryo-EM structure of the PP2A:B55-ARPP19 complex | Descriptor: | FE (III) ION, Serine/threonine-protein phosphatase 2A 55 kDa regulatory subunit B alpha isoform, Serine/threonine-protein phosphatase 2A 65 kDa regulatory subunit A alpha isoform, ... | Authors: | Fuller, J.R, Padi, S.K.R, Peti, W, Page, R. | Deposit date: | 2023-08-13 | Release date: | 2023-10-25 | Last modified: | 2024-01-17 | Method: | ELECTRON MICROSCOPY (2.77 Å) | Cite: | Cryo-EM structures of PP2A:B55-FAM122A and PP2A:B55-ARPP19. Nature, 625, 2024
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8TWI
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![BU of 8twi by Molmil](/molmil-images/mine/8twi) | Cryo-EM structure of the PP2A:B55-FAM122A complex, PP2Ac body | Descriptor: | FE (III) ION, PPP2R1A-PPP2R2A-interacting phosphatase regulator 1, Serine/threonine-protein phosphatase 2A 65 kDa regulatory subunit A alpha isoform, ... | Authors: | Fuller, J.R, Padi, S.K.R, Peti, W, Page, R. | Deposit date: | 2023-08-21 | Release date: | 2023-11-01 | Last modified: | 2024-01-17 | Method: | ELECTRON MICROSCOPY (2.69 Å) | Cite: | Cryo-EM structures of PP2A:B55-FAM122A and PP2A:B55-ARPP19. Nature, 625, 2024
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2C6P
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![BU of 2c6p by Molmil](/molmil-images/mine/2c6p) | Membrane-bound glutamate carboxypeptidase II (GCPII) in complex with phosphate anion | 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: | Mesters, J.R, Barinka, C, Li, W, Tsukamoto, T, Majer, P, Slusher, B.S, Konvalinka, J, Hilgenfeld, R. | Deposit date: | 2005-11-11 | Release date: | 2006-02-15 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.39 Å) | Cite: | Structure of Glutamate Carboxypeptidase II, a Drug Target in Neuronal Damage and Prostate Cancer. Embo J., 25, 2006
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8TWE
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![BU of 8twe by Molmil](/molmil-images/mine/8twe) | Cryo-EM structure of the PP2A:B55-FAM122A complex, B55 body | Descriptor: | PPP2R1A-PPP2R2A-interacting phosphatase regulator 1, Serine/threonine-protein phosphatase 2A 55 kDa regulatory subunit B alpha isoform, Serine/threonine-protein phosphatase 2A 65 kDa regulatory subunit A alpha isoform, ... | Authors: | Fuller, J.R, Padi, S.K.R, Peti, W, Page, R. | Deposit date: | 2023-08-21 | Release date: | 2023-11-01 | Last modified: | 2024-01-17 | Method: | ELECTRON MICROSCOPY (2.55 Å) | Cite: | Cryo-EM structures of PP2A:B55-FAM122A and PP2A:B55-ARPP19. Nature, 625, 2024
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7SMH
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![BU of 7smh by Molmil](/molmil-images/mine/7smh) | Structure of SASG A-domain (residues 163-419) from Staphylococcus aureus | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, Surface protein G | Authors: | Atkin, K.E, Whelan, F, Brentnall, A.S, Dodson, E.J, Turkenburg, J.P, Potts, J.R. | Deposit date: | 2021-10-25 | Release date: | 2022-11-02 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Staphylococcal Periscope proteins Aap, SasG, and Pls project noncanonical legume-like lectin adhesin domains from the bacterial surface. J.Biol.Chem., 299, 2023
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1K9R
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![BU of 1k9r by Molmil](/molmil-images/mine/1k9r) | YAP65 WW domain complexed to Acetyl-PLPPY | Descriptor: | 65 kDa Yes-associated protein, WW domain binding protein-1 | Authors: | Pires, J.R, Taha-Nejad, F, Toepert, F, Ast, T, Hoffmuller, U, Schneider-Mergener, J, Kuhne, R, Macias, M.J, Oschkinat, H. | Deposit date: | 2001-10-30 | Release date: | 2001-12-28 | Last modified: | 2021-11-10 | Method: | SOLUTION NMR | Cite: | Solution structures of the YAP65 WW domain and the variant L30 K in complex with the peptides GTPPPPYTVG, N-(n-octyl)-GPPPY and PLPPY and the application of peptide libraries reveal a minimal binding epitope. J.Mol.Biol., 314, 2001
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4MNE
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![BU of 4mne by Molmil](/molmil-images/mine/4mne) | Crystal structure of the BRAF:MEK1 complex | Descriptor: | 7-fluoro-3-[(2-fluoro-4-iodophenyl)amino]-N-{[(2S)-2-hydroxypropyl]oxy}furo[3,2-c]pyridine-2-carboxamide, CHLORIDE ION, Dual specificity mitogen-activated protein kinase kinase 1, ... | Authors: | Sudhamsu, J, Haling, J.R, Morales, T, Brandhuber, B, Hymowitz, S.G. | Deposit date: | 2013-09-10 | Release date: | 2014-06-18 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.8483 Å) | Cite: | Structure of the BRAF-MEK Complex Reveals a Kinase Activity Independent Role for BRAF in MAPK Signaling. Cancer Cell, 26, 2014
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2CKU
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![BU of 2cku by Molmil](/molmil-images/mine/2cku) | |
7SP2
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![BU of 7sp2 by Molmil](/molmil-images/mine/7sp2) | Structure of PLS A-domain (residues 391-656; 513-518 deletion mutant) from Staphylococcus aureus | Descriptor: | CALCIUM ION, Plasmin Sensitive Protein Pls | Authors: | Clark, L, Whelan, F, Atkin, K.E, Brentnall, A.S, Dodson, E.J, Turkenburg, J.P, Potts, J.R. | Deposit date: | 2021-11-02 | Release date: | 2022-11-09 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Structure of PLS A-domain (residues 391-65) from Staphylococcus aureus Not Published
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1PXX
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![BU of 1pxx by Molmil](/molmil-images/mine/1pxx) | CRYSTAL STRUCTURE OF DICLOFENAC BOUND TO THE CYCLOOXYGENASE ACTIVE SITE OF COX-2 | Descriptor: | 2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Kiefer, J.R, Rowlinson, S.W, Prusakiewicz, J.J, Pawlitz, J.L, Kozak, K.R, Kalgutkar, A.S, Stallings, W.C, Marnett, L.J, Kurumbail, R.G. | Deposit date: | 2003-07-07 | Release date: | 2003-09-09 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | A Novel Mechanism of Cyclooxygenase-2 Inhibition Involving Interactions with Ser-530 and Tyr-385. J.Biol.Chem., 278, 2003
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1DP5
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![BU of 1dp5 by Molmil](/molmil-images/mine/1dp5) | THE STRUCTURE OF PROTEINASE A COMPLEXED WITH A IA3 MUTANT INHIBITOR | Descriptor: | PROTEINASE A, PROTEINASE INHIBITOR IA3, beta-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-2)-[alpha-D-mannopyranose-(1-6)]alpha-D-mannopyranose-(1-3)-[beta-D-mannopyranose-(1-6)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | Authors: | Li, M, Phylip, H.L, Lees, W.E, Winther, J.R, Dunn, B.M, Wlodawer, A, Kay, J, Guschina, A. | Deposit date: | 1999-12-23 | Release date: | 2000-05-03 | Last modified: | 2021-11-03 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | The aspartic proteinase from Saccharomyces cerevisiae folds its own inhibitor into a helix. Nat.Struct.Biol., 7, 2000
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1DSI
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![BU of 1dsi by Molmil](/molmil-images/mine/1dsi) | Solution structure of a duocarmycin sa-indole-alkylated dna dupleX | Descriptor: | 4-HYDROXY-6-(1H-INDOLE-2-CARBONYL)-8-METHYL-3,6,7,8-TETRAHYDRO-3,6-DIAZA-AS-INDACENE-2-CARBOXYLIC ACID METHYL ESTER, DNA (5'-D(*GP*AP*CP*TP*AP*AP*TP*TP*GP*AP*C)-3'), DNA (5'-D(*GP*TP*CP*AP*AP*TP*TP*AP*GP*TP*C)-3') | Authors: | Schnell, J.R, Ketchem, R.R, Boger, D.L, Chazin, W.J. | Deposit date: | 1998-07-29 | Release date: | 1998-08-05 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Binding-Induced Activation of DNA Alkylation by Duocarmycin SA: Insights from the Structure of an Indole Derivative-DNA Adduct J.Am.Chem.Soc., 121, 1999
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4LE3
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![BU of 4le3 by Molmil](/molmil-images/mine/4le3) | Crystal structure of a GH131 beta-glucanase catalytic domain from Podospora anserina | Descriptor: | Beta-glucanase | Authors: | Jiang, T, Chan, H.C, Huang, C.H, Ko, T.P, Huang, T.Y, Liu, J.R, Guo, R.T. | Deposit date: | 2013-06-25 | Release date: | 2013-09-11 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structures of a GH131 beta-Glucanase Catalytic Domain from Podospora anserina in Complex with Cellotriose To be Published
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2J95
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![BU of 2j95 by Molmil](/molmil-images/mine/2j95) | CRYSTAL STRUCTURE OF A HUMAN FACTOR XA INHIBITOR COMPLEX | Descriptor: | 5'-CHLORO-N-{(3S)-1-[(1S)-1-METHYL-2-MORPHOLIN-4-YL-2-OXOETHYL]-2-OXOPYRROLIDIN-3-YL}-2,2'-BITHIOPHENE-5-SULFONAMIDE, ACTIVATED FACTOR XA HEAVY CHAIN, ACTIVATED FACTOR XA LIGHT CHAIN, ... | Authors: | Chan, C, Borthwick, A.D, Brown, D, Campbell, M, Chaudry, L, Chung, C.W, Convery, M.A, Hamblin, J.N, Johnstone, L, Kelly, H.A, Kleanthous, S, Burns-Kurtis, C.L, Patikis, A, Patel, C, Pateman, A.J, Senger, S, Shah, G.P, Toomey, J.R, Watson, N.S, Weston, H.E, Whitworth, C, Young, R.J, Zhou, P. | Deposit date: | 2006-11-02 | Release date: | 2007-03-20 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Factor Xa Inhibitors: S1 Binding Interactions of a Series of N-{(3S)-1-[(1S)-1-Methyl-2-Morpholin-4-Yl-2-Oxoethyl]-2-Oxopyrrolidin-3-Yl}Sulfonamides. J.Med.Chem., 50, 2007
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2CG7
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![BU of 2cg7 by Molmil](/molmil-images/mine/2cg7) | SECOND AND THIRD FIBRONECTIN TYPE I MODULE PAIR (CRYSTAL FORM II). | Descriptor: | FIBRONECTIN | Authors: | Rudino-Pinera, E, Ravelli, R.B.G, Sheldrick, G.M, Nanao, M.H, Werner, J.M, Schwarz-Linek, U, Potts, J.R, Garman, E.F. | Deposit date: | 2006-02-27 | Release date: | 2007-02-27 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | The Solution and Crystal Structures of a Module Pair from the Staphylococcus Aureus-Binding Site of Human Fibronectin-A Tale with a Twist. J.Mol.Biol., 368, 2007
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