2MLX
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![BU of 2mlx by Molmil](/molmil-images/mine/2mlx) | NMR structure of E. coli Trigger Factor in complex with unfolded PhoA220-310 | Descriptor: | Alkaline phosphatase, Trigger factor | Authors: | Saio, T, Guan, X, Rossi, P, Economou, A, Kalodimos, C.G. | Deposit date: | 2014-03-05 | Release date: | 2014-05-21 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Structural basis for protein antiaggregation activity of the trigger factor chaperone. Science, 344, 2014
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2MLY
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![BU of 2mly by Molmil](/molmil-images/mine/2mly) | NMR structure of E. coli Trigger Factor in complex with unfolded PhoA1-150 | Descriptor: | Alkaline phosphatase, Trigger factor | Authors: | Saio, T, Guan, X, Rossi, P, Economou, A, Kalodimos, C.G. | Deposit date: | 2014-03-05 | Release date: | 2014-05-21 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Structural basis for protein antiaggregation activity of the trigger factor chaperone. Science, 344, 2014
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2MLZ
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![BU of 2mlz by Molmil](/molmil-images/mine/2mlz) | NMR structure of E. coli Trigger Factor in complex with unfolded PhoA365-471 | Descriptor: | Alkaline phosphatase, Trigger factor | Authors: | Saio, T, Guan, X, Rossi, P, Economou, A, Kalodimos, C.G. | Deposit date: | 2014-03-05 | Release date: | 2014-05-21 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Structural basis for protein antiaggregation activity of the trigger factor chaperone. Science, 344, 2014
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2M1N
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![BU of 2m1n by Molmil](/molmil-images/mine/2m1n) | |
1FAI
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![BU of 1fai by Molmil](/molmil-images/mine/1fai) | THREE-DIMENSIONAL STRUCTURE OF TWO CRYSTAL FORMS OF FAB R19.9, FROM A MONOCLONAL ANTI-ARSONATE ANTIBODY | Descriptor: | IGG2B-KAPPA R19.9 FAB (HEAVY CHAIN), IGG2B-KAPPA R19.9 FAB (LIGHT CHAIN) | Authors: | Lascombe, M.B, Alzari, P.M, Poljak, R.J, Nisonoff, A. | Deposit date: | 1992-05-27 | Release date: | 1992-10-15 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Three-dimensional structure of two crystal forms of FabR19.9 from a monoclonal anti-arsonate antibody. Proc.Natl.Acad.Sci.USA, 89, 1992
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7NQZ
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![BU of 7nqz by Molmil](/molmil-images/mine/7nqz) | Plasmodium falciparum Hsp70-x chaperone nucleotide binding domain in complex with Z1827898537 | Descriptor: | (3S)-N-benzylpyrrolidin-3-amine, AMP PHOSPHORAMIDATE, CHLORIDE ION, ... | Authors: | Mohamad, N, O'Donoghue, A, Kantsadi, A.L, Vakonakis, I. | Deposit date: | 2021-03-02 | Release date: | 2021-03-10 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.319 Å) | Cite: | Structures of P. falciparum Hsp70-x nucleotide binding domain with small molecule ligands To Be Published
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7NQR
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![BU of 7nqr by Molmil](/molmil-images/mine/7nqr) | Plasmodium falciparum Hsp70-x chaperone nucleotide binding domain in complex with Z287256168 | Descriptor: | (S)-N-(1-cyclopropylethyl)-6-methylpicolinamide, 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, AMP PHOSPHORAMIDATE, ... | Authors: | Mohamad, N, O'Donoghue, A, Kantsadi, A.L, Vakonakis, I. | Deposit date: | 2021-03-02 | Release date: | 2021-03-10 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.22 Å) | Cite: | Structures of P. falciparum Hsp70-x nucleotide binding domain with small molecule ligands To Be Published
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7NQS
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![BU of 7nqs by Molmil](/molmil-images/mine/7nqs) | Plasmodium falciparum Hsp70-x chaperone nucleotide binding domain in complex with Z1203107138 | Descriptor: | 1-ethyl-N-[(4-fluorophenyl)methyl]-1H-pyrazole-4-carboxamide, AMP PHOSPHORAMIDATE, GLYCEROL, ... | Authors: | Mohamad, N, O'Donoghue, A, Kantsadi, A.L, Vakonakis, I. | Deposit date: | 2021-03-02 | Release date: | 2021-03-17 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.56 Å) | Cite: | Structures of P. falciparum Hsp70-x nucleotide binding domain with small molecule ligands To Be Published
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7NQU
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![BU of 7nqu by Molmil](/molmil-images/mine/7nqu) | Plasmodium falciparum Hsp70-x chaperone nucleotide binding domain in complex with Z396380540 | Descriptor: | AMP PHOSPHORAMIDATE, CHLORIDE ION, GLYCEROL, ... | Authors: | Mohamad, N, O'Donoghue, A, Kantsadi, A.L, Vakonakis, I. | Deposit date: | 2021-03-02 | Release date: | 2021-03-10 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.13 Å) | Cite: | Structures of P. falciparum Hsp70-x nucleotide binding domain with small molecule ligands To Be Published
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7OOG
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![BU of 7oog by Molmil](/molmil-images/mine/7oog) | Plasmodium falciparum Hsp70-x chaperone nucleotide binding domain in complex with NCL-00023823 | Descriptor: | 4-bromanylpyridin-2-amine, AMP PHOSPHORAMIDATE, CHLORIDE ION, ... | Authors: | Mohamad, N, O'Donoghue, A, Kantsadi, A.L, Vakonakis, I. | Deposit date: | 2021-05-27 | Release date: | 2021-06-02 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.42 Å) | Cite: | Plasmodium falciparum Hsp70-x chaperone nucleotide binding domain in complex with NCL-00023823 To Be Published
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7OOE
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![BU of 7ooe by Molmil](/molmil-images/mine/7ooe) | Plasmodium falciparum Hsp70-x chaperone nucleotide binding domain in complex with Z321318226 | Descriptor: | AMP PHOSPHORAMIDATE, CHLORIDE ION, GLYCEROL, ... | Authors: | Mohamad, N, O'Donoghue, A, Kantsadi, A.L, Vakonakis, I. | Deposit date: | 2021-05-27 | Release date: | 2021-06-02 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.369 Å) | Cite: | Structures of P. falciparum Hsp70-x nucleotide binding domain with small molecule ligands To Be Published
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7OOH
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![BU of 7ooh by Molmil](/molmil-images/mine/7ooh) | Plasmodium falciparum Hsp70-x chaperone nucleotide binding domain in complex with NCL-00023818 | Descriptor: | 4-IODOPYRAZOLE, AMP PHOSPHORAMIDATE, CHLORIDE ION, ... | Authors: | Mohamad, N, O'Donoghue, A, Kantsadi, A.L, Vakonakis, I. | Deposit date: | 2021-05-27 | Release date: | 2021-06-09 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.36 Å) | Cite: | Plasmodium falciparum Hsp70-x chaperone nucleotide binding domain in complex with NCL-00023818 To Be Published
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7P31
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![BU of 7p31 by Molmil](/molmil-images/mine/7p31) | Plasmodium falciparum Hsp70-x chaperone nucleotide binding domain in complex with NCL-00023818 | Descriptor: | 4-IODOPYRAZOLE, AMP PHOSPHORAMIDATE, CHLORIDE ION, ... | Authors: | Mohamad, N, O'Donoghue, A, Kantsadi, A.L, Vakonakis, I. | Deposit date: | 2021-07-06 | Release date: | 2021-07-14 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.36 Å) | Cite: | Plasmodium falciparum Hsp70-x chaperone nucleotide binding domain in complex with small molecule ligands To Be Published
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8G62
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![BU of 8g62 by Molmil](/molmil-images/mine/8g62) | Papain-Like Protease of SARS CoV-2 in complex with remodilin NCGC 390004 | Descriptor: | 3-methoxy-5-(1-methylpiperidin-4-yl)-N-[4-(pyrrolidine-1-sulfonyl)phenyl]benzamide, ACETATE ION, CHLORIDE ION, ... | Authors: | Osipiuk, J, Tesar, C, Endres, M, Jedrzejczak, R, Luci, D, Kales, S, Simeonov, A, Rai, G, Drayman, N, Tay, S, Oakes, S, Rosner, M, Chen, B, Dulin, N, Solway, J, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID), Center for Structural Biology of Infectious Diseases (CSBID) | Deposit date: | 2023-02-14 | Release date: | 2023-02-22 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.17 Å) | Cite: | Papain-Like Protease of SARS CoV-2 in complex with remodilin NCGC 390004 To Be Published
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4YMY
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![BU of 4ymy by Molmil](/molmil-images/mine/4ymy) | Crystal structure of mutant nitrobindin M75A/H76L/Q96C/M148L/H158A (NB11) from Arabidopsis thaliana | Descriptor: | GLYCEROL, UPF0678 fatty acid-binding protein-like protein At1g79260 | Authors: | Mizohata, E, Himiyama, T, Tachikawa, K, Oohora, K, Onoda, A, Hayashi, T. | Deposit date: | 2015-03-08 | Release date: | 2015-12-30 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1 Å) | Cite: | A Highly Active Biohybrid Catalyst for Olefin Metathesis in Water: Impact of a Hydrophobic Cavity in a beta-Barrel Protein Acs Catalysis, 5, 2015
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5KP0
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![BU of 5kp0 by Molmil](/molmil-images/mine/5kp0) | Recognition and targeting mechanisms by chaperones in flagella assembly and operation | Descriptor: | Flagellar protein FliT,Flagellum-specific ATP synthase | Authors: | Khanra, N.K, Rossi, P, Economou, A, Kalodimos, C.G. | Deposit date: | 2016-07-01 | Release date: | 2016-08-17 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Recognition and targeting mechanisms by chaperones in flagellum assembly and operation. Proc.Natl.Acad.Sci.USA, 113, 2016
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5KS6
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3RVH
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![BU of 3rvh by Molmil](/molmil-images/mine/3rvh) | Crystal Structure of JMJD2A Complexed with Inhibitor | Descriptor: | 8-hydroxy-3-(piperazin-1-yl)quinoline-5-carboxylic acid, GLYCEROL, Lysine-specific demethylase 4A, ... | Authors: | King, O.N.F, Maloney, D.J, Tumber, A, Rai, G, Jadhav, A, Clifton, I.J, Heightman, T.D, Simeonov, A, McDonough, M.A, Schofield, C.J. | Deposit date: | 2011-05-06 | Release date: | 2012-05-09 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.251 Å) | Cite: | Crystal Structure of JMJD2A Complexed with Inhibitor To be Published
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3OD4
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![BU of 3od4 by Molmil](/molmil-images/mine/3od4) | Crystal Structure of Factor Inhibiting HIF-1 Alpha Complexed with Inhibitor | Descriptor: | 8-hydroxyquinoline-5-carboxylic acid, GLYCEROL, Hypoxia-inducible factor 1-alpha inhibitor, ... | Authors: | King, O.N.F, Bashford-Rogers, R, Maloney, D.J, Jadhav, A, Heightman, T.D, Simeonov, A, Clifton, I.J, McDonough, M.A, Schofield, C.J. | Deposit date: | 2010-08-10 | Release date: | 2011-07-06 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal Structure of Factor Inhibiting HIF-1 Alpha Complexed with Inhibitor To be Published
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4E94
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![BU of 4e94 by Molmil](/molmil-images/mine/4e94) | Crystal structure of MccF-like protein from Streptococcus pneumoniae | Descriptor: | GLYCEROL, MccC family protein, SULFATE ION | Authors: | Nocek, B, Tikhonov, A, Kwon, K, Severinov, K, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2012-03-20 | Release date: | 2012-05-09 | Last modified: | 2017-11-15 | Method: | X-RAY DIFFRACTION (1.651 Å) | Cite: | Crystal structure of MccF-like protein from Streptococcus pneumoniae TO BE PUBLISHED
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3NJY
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![BU of 3njy by Molmil](/molmil-images/mine/3njy) | Crystal structure of JMJD2A complexed with 5-carboxy-8-hydroxyquinoline | Descriptor: | 8-hydroxyquinoline-5-carboxylic acid, Lysine-specific demethylase 4A, NICKEL (II) ION, ... | Authors: | King, O.N.F, Clifton, I.J, Wang, M, Maloney, D.J, Jadhav, A, Oppermann, U, Heightman, T.D, Simeonov, A, McDonough, M.A, Schofield, C.J. | Deposit date: | 2010-06-18 | Release date: | 2010-12-08 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Quantitative high-throughput screening identifies 8-hydroxyquinolines as cell-active histone demethylase inhibitors Plos One, 5, 2010
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2F19
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![BU of 2f19 by Molmil](/molmil-images/mine/2f19) | THREE-DIMENSIONAL STRUCTURE OF TWO CRYSTAL FORMS OF FAB R19.9, FROM A MONOCLONAL ANTI-ARSONATE ANTIBODY | Descriptor: | IGG2B-KAPPA R19.9 FAB (HEAVY CHAIN), IGG2B-KAPPA R19.9 FAB (LIGHT CHAIN) | Authors: | Lascombe, M.B, Alzari, P.M, Poljak, R.J, Nisonoff, A. | Deposit date: | 1992-05-27 | Release date: | 1992-10-15 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Three-dimensional structure of two crystal forms of FabR19.9 from a monoclonal anti-arsonate antibody. Proc.Natl.Acad.Sci.USA, 89, 1992
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3IES
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![BU of 3ies by Molmil](/molmil-images/mine/3ies) | Firefly luciferase inhibitor complex | Descriptor: | 5'-O-[(R)-[({3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl}carbonyl)oxy](hydroxy)phosphoryl]adenosine, Luciferin 4-monooxygenase | Authors: | Lovell, S, Battaile, K.P, Auld, D.S, Thorne, N, Lea, W.A, Maloney, D.J, Shen, M, Raj, G, Thomas, C.J, Simeonov, A, Hanzlik, R.P, Inglese, J. | Deposit date: | 2009-07-23 | Release date: | 2010-02-16 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Molecular basis for the high-affinity binding and stabilization of firefly luciferase by PTC124. Proc.Natl.Acad.Sci.USA, 107, 2010
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3IER
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![BU of 3ier by Molmil](/molmil-images/mine/3ier) | Firefly luciferase apo structure (P41 form) with PEG 400 bound | Descriptor: | Luciferin 4-monooxygenase, TETRAETHYLENE GLYCOL | Authors: | Lovell, S, Battaile, K.P, Auld, D.S, Thorne, N, Lea, W.A, Maloney, D.J, Shen, M, Raj, G, Thomas, C.J, Simeonov, A, Hanzlik, R.P, Inglese, J. | Deposit date: | 2009-07-23 | Release date: | 2010-02-16 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Molecular basis for the high-affinity binding and stabilization of firefly luciferase by PTC124. Proc.Natl.Acad.Sci.USA, 107, 2010
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3IEP
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![BU of 3iep by Molmil](/molmil-images/mine/3iep) | Firefly luciferase apo structure (P41 form) | Descriptor: | Luciferin 4-monooxygenase | Authors: | Lovell, S, Battaile, K.P, Auld, D.S, Thorne, N, Lea, W.A, Maloney, D.J, Shen, M, Raj, G, Thomas, C.J, Simeonov, A, Hanzlik, R.P, Inglese, J. | Deposit date: | 2009-07-23 | Release date: | 2010-02-16 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Molecular basis for the high-affinity binding and stabilization of firefly luciferase by PTC124. Proc.Natl.Acad.Sci.USA, 107, 2010
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