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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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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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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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
 | | 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
 | | 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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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
 | | 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
 | | 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
 | | 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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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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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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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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2HS5
 | | Structural Genomics, the crystal structure of a putative transcriptional regulator GntR from Rhodococcus sp. RHA1 | | Descriptor: | ACETATE ION, putative transcriptional regulator GntR | | Authors: | Tan, K, Skarina, T, Onopriyenko, A, Savchenko, A, Edwards, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2006-07-21 | | Release date: | 2006-08-22 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | The crystal structure of a putative transcriptional regulator GntR from Rhodococcus sp. RHA1
To be Published
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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
 | | 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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8P33
 | | BB0238 from Borrelia burgdorferi | | Descriptor: | BB0238 | | Authors: | Brangulis, K, Foor, S.D, Shakya, A.K, Rana, V.S, Bista, S, Kitsou, C, Ronzetti, M, Linden, S.B, Altieri, A.S, Akopjana, I, Baljinnyam, B, Nelson, D.C, Simeonov, A, Herzberg, O, Caimano, M.J, Pal, U. | | Deposit date: | 2023-05-16 | | Release date: | 2023-10-11 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | A unique borrelial protein facilitates microbial immune evasion.
Mbio, 14, 2023
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8P32
 | | BB0238 from Borrelia burgdorferi, Se-Met data for Leu240Met mutant | | Descriptor: | BB0238 | | Authors: | Brangulis, K, Foor, S.D, Shakya, A.K, Rana, V.S, Bista, S, Kitsou, C, Ronzetti, M, Linden, S.B, Altieri, A.S, Akopjana, I, Baljinnyam, B, Nelson, D.C, Simeonov, A, Herzberg, O, Caimano, M.J, Pal, U. | | Deposit date: | 2023-05-16 | | Release date: | 2023-10-11 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | A unique borrelial protein facilitates microbial immune evasion.
Mbio, 14, 2023
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398D
 | | 3'-DNA-RNA-5' JUNCTION FORMED DURING INITIATION OF MINUS-STRAND SYNTHESIS OF HIV REPLICATION | | Descriptor: | DNA/RNA (5'-R(*GP*CP*CP*AP)-D(*CP*TP*GP*C)-3'), RNA (5'-R(*GP*CP*AP*GP*UP*GP*GP*C)-3') | | Authors: | Mueller, U, Meier, G, Mochi-Onori, A, Cellai, L, Heumann, H. | | Deposit date: | 1998-05-04 | | Release date: | 1998-10-06 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | Crystal structure of an eight-base pair duplex containing the 3'-DNA-RNA-5' junction formed during initiation of minus-strand synthesis of HIV replication.
Biochemistry, 37, 1998
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6C68
 | | MHC-independent t cell receptor A11 | | Descriptor: | T-cell receptor alpha chain, T-cell receptor beta chain | | Authors: | Lu, J, Van Laethem, F, Saba, I, Chu, J, Bhattacharya, A, Love, N.C, Tikhonova, A, Radaev, S, Sun, X, Ko, A, Arnon, T, Shifrut, E, Friedman, N, Weng, N, Singer, A, Sun, P.D. | | Deposit date: | 2018-01-18 | | Release date: | 2019-01-30 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.59 Å) | | Cite: | Structure of MHC-Independent TCRs and Their Recognition of Native Antigen CD155.
J Immunol., 204, 2020
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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
 | | 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
 | | 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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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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