6A2T
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![BU of 6a2t by Molmil](/molmil-images/mine/6a2t) | Mycobacterium tuberculosis LexA C-domain K197A | Descriptor: | ACRYLIC ACID, LexA repressor | Authors: | Chandran, A.V, Srikalaivani, R, Paul, A, Vijayan, M. | Deposit date: | 2018-06-12 | Release date: | 2019-01-23 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Biochemical characterization of Mycobacterium tuberculosis LexA and structural studies of its C-terminal segment. Acta Crystallogr D Struct Biol, 75, 2019
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5G49
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![BU of 5g49 by Molmil](/molmil-images/mine/5g49) | Crystal structure of the Arabodopsis thaliana histone-fold dimer L1L NF-YC3 | Descriptor: | ACETATE ION, CALCIUM ION, NUCLEAR TRANSCRIPTION FACTOR Y SUBUNIT B-6, ... | Authors: | Gnesutta, N, Saad, D, Chaves-Sanjuan, A, Mantovani, R, Nardini, M. | Deposit date: | 2016-05-06 | Release date: | 2016-12-07 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal Structure of the Arabidopsis thaliana L1L/NF-YC3 Histone-fold Dimer Reveals Specificities of the LEC1 Family of NF-Y Subunits in Plants. Mol Plant, 10, 2017
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6R0N
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![BU of 6r0n by Molmil](/molmil-images/mine/6r0n) | Histone fold domain of AtNF-YB2/NF-YC3 in I2 | Descriptor: | GLYCEROL, NF-YB2, NF-YC3 | Authors: | Chaves-Sanjuan, A, Gnesutta, N, Bernardini, A, Fornara, F, Nardini, M, Mantovani, R. | Deposit date: | 2019-03-13 | Release date: | 2020-09-30 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural determinants for NF-Y subunit organization and NF-Y/DNA association in plants. Plant J., 105, 2021
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6R0M
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![BU of 6r0m by Molmil](/molmil-images/mine/6r0m) | Histone fold domain of AtNF-YB2/NF-YC3 in P212121 | Descriptor: | NF-YB2, NF-YC3 | Authors: | Chaves-Sanjuan, A, Gnesutta, N, Chiara, M, Bernardini, A, Fornara, F, Horner, D, Nardini, M, Mantovani, R. | Deposit date: | 2019-03-13 | Release date: | 2020-09-30 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural determinants for NF-Y subunit organization and NF-Y/DNA association in plants. Plant J., 105, 2021
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6S9A
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![BU of 6s9a by Molmil](/molmil-images/mine/6s9a) | Artificial GTPase-BSE dimer of human Dynamin1 | Descriptor: | CHLORIDE ION, Dynamin-1,Dynamin-1, ZINC ION | Authors: | Ganichkin, O.M, Vancraenenbroeck, R, Rosenblum, G, Hofmann, H, Daumke, O, Noel, J.K. | Deposit date: | 2019-07-11 | Release date: | 2020-08-26 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Quantification and demonstration of the collective constriction-by-ratchet mechanism in the dynamin molecular motor. Proc.Natl.Acad.Sci.USA, 118, 2021
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6R2V
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![BU of 6r2v by Molmil](/molmil-images/mine/6r2v) | Arabidopsis NF-Y/CCAAT-box complex | Descriptor: | FT (-5kb) CCAAT-box 3', FT (-5kb) CCAAT-box 5', NF-YB2, ... | Authors: | Chaves-Sanjuan, A, Gnesutta, N, Chiara, M, Bernardini, A, Fornara, F, Horner, D, Nardini, M, Mantovani, R. | Deposit date: | 2019-03-19 | Release date: | 2020-09-30 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.503 Å) | Cite: | Structural determinants for NF-Y subunit organization and NF-Y/DNA association in plants. Plant J., 105, 2021
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1N1J
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![BU of 1n1j by Molmil](/molmil-images/mine/1n1j) | Crystal structure of the NF-YB/NF-YC histone pair | Descriptor: | NF-YB, NF-YC | Authors: | Romier, C, Cocchiarella, F, Mantovani, R, Moras, D. | Deposit date: | 2002-10-18 | Release date: | 2003-02-18 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.67 Å) | Cite: | The NF-YB/NF-YC structure gives insight into DNA binding and transcription regulation by CCAAT factor NF-Y J.Biol.Chem., 278, 2003
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1H4L
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![BU of 1h4l by Molmil](/molmil-images/mine/1h4l) | Structure and regulation of the CDK5-p25(nck5a) complex | Descriptor: | CELL DIVISION PROTEIN KINASE 5, CYCLIN-DEPENDENT KINASE 5 ACTIVATOR | Authors: | Tarricone, C, Dhavan, R, Peng, J, Areces, L.B, Tsai, L.-H, Musacchio, A. | Deposit date: | 2001-05-11 | Release date: | 2002-08-14 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Structure and Regulation of the Cdk5-P25(Nck5A) Complex Mol.Cell, 8, 2001
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1TJ9
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![BU of 1tj9 by Molmil](/molmil-images/mine/1tj9) | Structure of the complexed formed between group II phospholipase A2 and a rationally designed tetra peptide,Val-Ala-Arg-Ser at 1.1A resolution | Descriptor: | ACETIC ACID, Phospholipase A2, SULFATE ION, ... | Authors: | Singh, N, Ethayathulla, A.S, K Somvanshi, R, Sharma, S, Dey, S, Perbandt, M, Betzel, C, Kaur, P, Singh, T.P. | Deposit date: | 2004-06-03 | Release date: | 2004-06-08 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Structure of the complex formed between group II phospholipase A2 and a rationally designed tetra peptide,Val-Ala-Arg-Ser at 1.1A resolution TO BE PUBLISHED
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4R2Y
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![BU of 4r2y by Molmil](/molmil-images/mine/4r2y) | Crystal structure of APC11 RING domain | Descriptor: | Anaphase-promoting complex subunit 11, ZINC ION | Authors: | Brown, N.G, Watson, E.R, Weissmann, F, Jarvis, M.A, Vanderlinden, R, Grace, C.R.R, Frye, J.J, Dube, P, Qiao, R, Petzold, G, Cho, S.E, Alsharif, O, Bao, J, Zheng, J, Nourse, A, Kurinov, I, Peters, J.M, Stark, H, Schulman, B.A. | Deposit date: | 2014-08-13 | Release date: | 2014-10-29 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.755 Å) | Cite: | Mechanism of Polyubiquitination by Human Anaphase-Promoting Complex: RING Repurposing for Ubiquitin Chain Assembly. Mol.Cell, 56, 2014
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4CSR
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![BU of 4csr by Molmil](/molmil-images/mine/4csr) | High resolution crystal structure of the histone fold dimer (NF-YB)-(NF-YC) | Descriptor: | GLYCEROL, NUCLEAR TRANSCRIPTION FACTOR Y SUBUNIT BETA, NUCLEAR TRANSCRIPTION FACTOR Y SUBUNIT GAMMA | Authors: | Gnesutta, N, Cocolo, S, Mantovani, R, Bolognesi, M, Nardini, M. | Deposit date: | 2014-03-09 | Release date: | 2015-03-18 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | High Resolution Crystal Structure of the Histone Fold Dimer (NF-Yb)-(NF-Yc) To be Published
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4AWL
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![BU of 4awl by Molmil](/molmil-images/mine/4awl) | The NF-Y transcription factor is structurally and functionally a sequence specific histone | Descriptor: | HSP70 PROMOTER FRAGMENT, NUCLEAR TRANSCRIPTION FACTOR Y SUBUNIT ALPHA, NUCLEAR TRANSCRIPTION FACTOR Y SUBUNIT BETA, ... | Authors: | Nardini, M, Gnesutta, N, Donati, G, Gatta, R, Forni, C, Fossati, A, Vonrhein, C, Moras, D, Romier, C, Mantovani, R, Bolognesi, M. | Deposit date: | 2012-06-04 | Release date: | 2013-01-30 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3.08 Å) | Cite: | Sequence-Specific Transcription Factor NF-Y Displays Histone-Like DNA Binding and H2B-Like Ubiquitination. Cell(Cambridge,Mass.), 152, 2013
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5CGB
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![BU of 5cgb by Molmil](/molmil-images/mine/5cgb) | Crystal structure of FimH in complex with heptyl alpha-D-septanoside | Descriptor: | (6R)-1,6-anhydro-2-O-heptyl-6-(hydroxymethyl)-D-galactitol, Protein FimH, SULFATE ION | Authors: | Jakob, R.P, Preston, R.P, Zihlmann, P, Fiege, B, Sager, C.P, Vannam, R, Rabbani, S, Zalewski, A, Maier, T, Ernst, B, Peczuh, M. | Deposit date: | 2015-07-09 | Release date: | 2016-07-20 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | The price of flexibility - a case study on septanoses as pyranose mimetics. Chem Sci, 9, 2018
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2MT5
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![BU of 2mt5 by Molmil](/molmil-images/mine/2mt5) | Isolated Ring domain | Descriptor: | Anaphase-promoting complex subunit 11, ZINC ION | Authors: | Brown, N.G, Watson, E.R, Weissman, F, Royappa, G, Schulman, B, Jarvis, M, Vanderlinden, R, Frye, J.J, Qiao, R, Petzold, G, Peters, J, Stark, H. | Deposit date: | 2014-08-13 | Release date: | 2014-10-29 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Mechanism of Polyubiquitination by Human Anaphase-Promoting Complex: RING Repurposing for Ubiquitin Chain Assembly. Mol.Cell, 56, 2014
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8UCB
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![BU of 8ucb by Molmil](/molmil-images/mine/8ucb) | IRAK4 in complex with compound 8 | Descriptor: | 6-(difluoromethyl)-N-[(4R)-7-ethoxy-2-{[(3R)-oxolan-3-yl]methyl}imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide, Interleukin-1 receptor-associated kinase 4 | Authors: | Metrick, C.M, Chodaparambil, J.V. | Deposit date: | 2023-09-26 | Release date: | 2024-06-26 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | The Discovery of 7-Isopropoxy-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)- N -(6-methylpyrazolo[1,5- a ]pyrimidin-3-yl)imidazo[1,2- a ]pyrimidine-6-carboxamide (BIO-7488), a Potent, Selective, and CNS-Penetrant IRAK4 Inhibitor for the Treatment of Ischemic Stroke. J.Med.Chem., 67, 2024
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8UCC
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![BU of 8ucc by Molmil](/molmil-images/mine/8ucc) | IRAK4 in complex with compound 20 | Descriptor: | (4S)-2-[(1R,4s)-1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl]-N-[(8S)-6-methylpyrazolo[1,5-a]pyrimidin-3-yl]-7-[(propan-2-yl)oxy]imidazo[1,2-a]pyrimidine-6-carboxamide, Interleukin-1 receptor-associated kinase 4 | Authors: | Metrick, C.M, Chodaparambil, J.V. | Deposit date: | 2023-09-26 | Release date: | 2024-06-26 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | The Discovery of 7-Isopropoxy-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)- N -(6-methylpyrazolo[1,5- a ]pyrimidin-3-yl)imidazo[1,2- a ]pyrimidine-6-carboxamide (BIO-7488), a Potent, Selective, and CNS-Penetrant IRAK4 Inhibitor for the Treatment of Ischemic Stroke. J.Med.Chem., 67, 2024
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5ADU
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![BU of 5adu by Molmil](/molmil-images/mine/5adu) | The Mechanism of Hydrogen Activation by NiFe-hydrogenases | Descriptor: | CARBONMONOXIDE-(DICYANO) IRON, CHLORIDE ION, DODECYL-BETA-D-MALTOSIDE, ... | Authors: | Evans, R, Brooke, E.J, Wehlin, S.A, Nomerotskaia, E, Sargent, F, Carr, S.B, Phillips, S.E.V, Armstrong, F.A. | Deposit date: | 2015-08-24 | Release date: | 2015-11-25 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Mechanism of hydrogen activation by [NiFe] hydrogenases. Nat. Chem. Biol., 12, 2016
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6PD2
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![BU of 6pd2 by Molmil](/molmil-images/mine/6pd2) | |
6PD1
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![BU of 6pd1 by Molmil](/molmil-images/mine/6pd1) | |
4AFT
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![BU of 4aft by Molmil](/molmil-images/mine/4aft) | Aplysia californica AChBP in complex with Varenicline | Descriptor: | SOLUBLE ACETYLCHOLINE RECEPTOR, VARENICLINE | Authors: | Rucktooa, P, Haseler, C.A, vanElke, R, Smit, A.B, Gallagher, T, Sixma, T.K. | Deposit date: | 2012-01-23 | Release date: | 2012-05-02 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Structural Characterization of Binding Mode of Smoking Cessation Drugs to Nicotinic Acetylcholine Receptors Through Study of Ligand Complexes with Acetylcholine-Binding Protein. J.Biol.Chem., 287, 2012
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4BCD
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![BU of 4bcd by Molmil](/molmil-images/mine/4bcd) | PROLYL OLIGOPEPTIDASE FROM PORCINE BRAIN WITH A NON-COVALENTLY BOUND P2-substituted N-acyl-prolylpyrrolidine inhibitor | Descriptor: | 1-[(2S,4S)-4-[4-(4-fluorophenyl)-1,2,3-triazol-1-yl]-2-pyrrolidin-1-ylcarbonyl-pyrrolidin-1-yl]-4-phenyl-butan-1-one, GLYCEROL, PROLYL ENDOPEPTIDASE, ... | Authors: | VanDerVeken, P, Fulop, V, Rea, D, Gerard, M, VanElzen, R, Joossens, J, Cheng, J.D, Baekelandt, V, DeMeester, I, Lambeir, A.M, Augustyns, K. | Deposit date: | 2012-10-01 | Release date: | 2013-03-13 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | P2-Substituted N-Acylprolylpyrrolidine Inhibitors of Prolyl Oligopeptidase: Biochemical Evaluation, Binding Mode Determination, and Assessment in a Cellular Model of Synucleinopathy. J.Med.Chem., 55, 2012
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4BCB
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![BU of 4bcb by Molmil](/molmil-images/mine/4bcb) | PROLYL OLIGOPEPTIDASE FROM PORCINE BRAIN WITH A COVALENTLY BOUND P2- substituted N-acyl-prolylpyrrolidine inhibitor | Descriptor: | (5R,6R,8S)-8-(3-{[AMINO(IMINO)METHYL]AMINO}PHENYL)-5-CYCLOHEXYL-6-HYDROXY-3-OXO-1-PHENYL-2,7-DIOXA-4-AZA-6-PHOSPHANONAN-9-OIC ACID 6-OXIDE, GLYCEROL, PROLYL ENDOPEPTIDASE, ... | Authors: | VanDerVeken, P, Fulop, V, Rea, D, Gerard, M, VanElzen, R, Joossens, J, Cheng, J.D, Baekelandt, V, DeMeester, I, Lambeir, A.M, Augustyns, K. | Deposit date: | 2012-10-01 | Release date: | 2013-03-13 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | P2-Substituted N-Acylprolylpyrrolidine Inhibitors of Prolyl Oligopeptidase: Biochemical Evaluation, Binding Mode Determination, and Assessment in a Cellular Model of Synucleinopathy. J.Med.Chem., 55, 2012
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4BCC
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![BU of 4bcc by Molmil](/molmil-images/mine/4bcc) | PROLYL OLIGOPEPTIDASE FROM PORCINE BRAIN WITH A COVALENTLY BOUND P2- substituted N-acyl-prolylpyrrolidine inhibitor | Descriptor: | GLYCEROL, PROLYL ENDOPEPTIDASE, TRIS(HYDROXYETHYL)AMINOMETHANE, ... | Authors: | VanDerVeken, P, Fulop, V, Rea, D, Gerard, M, VanElzen, R, Joossens, J, Cheng, J.D, Baekelandt, V, DeMeester, I, Lambeir, A.M, Augustyns, K. | Deposit date: | 2012-10-01 | Release date: | 2013-03-13 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | P2-Substituted N-Acylprolylpyrrolidine Inhibitors of Prolyl Oligopeptidase: Biochemical Evaluation, Binding Mode Determination, and Assessment in a Cellular Model of Synucleinopathy. J.Med.Chem., 55, 2012
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5PNT
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![BU of 5pnt by Molmil](/molmil-images/mine/5pnt) | CRYSTAL STRUCTURE OF A HUMAN LOW MOLECULAR WEIGHT PHOSPHOTYROSYL PHOSPHATASE. IMPLICATIONS FOR SUBSTRATE SPECIFICITY | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, LOW MOLECULAR WEIGHT PHOSPHOTYROSYL PHOSPHATASE | Authors: | Zhang, M, Stauffacher, C, Lin, D, Vanetten, R. | Deposit date: | 1998-04-29 | Release date: | 1998-10-14 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal structure of a human low molecular weight phosphotyrosyl phosphatase. Implications for substrate specificity. J.Biol.Chem., 273, 1998
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4BQT
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![BU of 4bqt by Molmil](/molmil-images/mine/4bqt) | Aplysia californica AChBP in complex with Cytisine | Descriptor: | (1R,5S)-1,2,3,4,5,6-HEXAHYDRO-8H-1,5-METHANOPYRIDO[1,2-A][1,5]DIAZOCIN-8-ONE, CHLORIDE ION, COBALT (II) ION, ... | Authors: | Rucktooa, P, Haseler, C.A, vanElke, R, Smit, A.B, Gallagher, T, Sixma, T.K. | Deposit date: | 2013-06-02 | Release date: | 2013-06-12 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.88 Å) | Cite: | Structural Characterization of Binding Mode of Smoking Cessation Drugs to Nicotinic Acetylcholine Receptors Through Study of Ligand Complexes with Acetylcholine-Binding Protein. J.Biol.Chem., 287, 2012
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