1HQS
 
 | | CRYSTAL STRUCTURE OF ISOCITRATE DEHYDROGENASE FROM BACILLUS SUBTILIS | | Descriptor: | CITRIC ACID, ISOCITRATE DEHYDROGENASE, R-1,2-PROPANEDIOL, ... | | Authors: | Singh, S.K, Matsuno, K, LaPorte, D.C, Banaszak, L.J. | | Deposit date: | 2000-12-19 | | Release date: | 2001-07-25 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Crystal structure of Bacillus subtilis isocitrate dehydrogenase at 1.55 A. Insights into the nature of substrate specificity exhibited by Escherichia coli isocitrate dehydrogenase kinase/phosphatase.
J.Biol.Chem., 276, 2001
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6EEA
 | | Bioreductive 4-hydroxy-3-nitro-5-ureido-benzenesulfonamides selectively target the tumor-associated carbonic anhydrase isoforms IX and XII and show hypoxia-enhanced cytotoxicity against human cancer cell lines. | | Descriptor: | 4-hydroxy-3-nitro-5-({[4-(trifluoromethyl)phenyl]carbamoyl}amino)benzene-1-sulfonamide, Carbonic anhydrase 2, ZINC ION | | Authors: | Singh, S, McKenna, R, Supuran, C.T, Nocentini, A, Lomelino, C, Lucarini, E, Bartolucci, G, Mannelli, L.D.C, Ghelardini, C, Gratteri, P. | | Deposit date: | 2018-08-13 | | Release date: | 2018-11-28 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.63 Å) | | Cite: | 4-Hydroxy-3-nitro-5-ureido-benzenesulfonamides Selectively Target the Tumor-Associated Carbonic Anhydrase Isoforms IX and XII Showing Hypoxia-Enhanced Antiproliferative Profiles.
J. Med. Chem., 61, 2018
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6EDA
 | | Bioreductive 4-hydroxy-3-nitro-5-ureido-benzenesulfonamides selectively target the tumor-associated carbonic anhydrase isoforms IX and XII and show hypoxia-enhanced cytotoxicity against human cancer cell lines. | | Descriptor: | 4-hydroxy-3-nitro-5-({[4-(trifluoromethyl)phenyl]carbamoyl}amino)benzene-1-sulfonamide, Carbonic anhydrase 2, ZINC ION | | Authors: | Singh, S, McKenna, R, Supuran, C.T, Nocentini, A, Lomelino, C, Lucarini, E, Bartolucci, G, Mannelli, L.D.C, Ghelardini, C, Gratteri, P. | | Deposit date: | 2018-08-09 | | Release date: | 2018-11-28 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.879 Å) | | Cite: | 4-Hydroxy-3-nitro-5-ureido-benzenesulfonamides Selectively Target the Tumor-Associated Carbonic Anhydrase Isoforms IX and XII Showing Hypoxia-Enhanced Antiproliferative Profiles.
J. Med. Chem., 61, 2018
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6EEH
 | | Bioreductive 4-hydroxy-3-nitro-5-ureido-benzenesulfonamides selectively target the tumor-associated carbonic anhydrase isoforms IX and XII and show hypoxia-enhanced cytotoxicity against human cancer cell lines. | | Descriptor: | Carbonic anhydrase 2, N-[2-hydroxy-3-nitro-5-(nitrosulfonyl)phenyl]-N'-(pentafluorophenyl)urea, ZINC ION | | Authors: | Singh, S, McKenna, R, Supuran, C.T, Nocentini, A, Lomelino, C, Lucarini, E, Bartolucci, G, Mannelli, L.D.C, Ghelardini, C, Gratteri, P. | | Deposit date: | 2018-08-14 | | Release date: | 2018-11-28 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.629 Å) | | Cite: | 4-Hydroxy-3-nitro-5-ureido-benzenesulfonamides Selectively Target the Tumor-Associated Carbonic Anhydrase Isoforms IX and XII Showing Hypoxia-Enhanced Antiproliferative Profiles.
J. Med. Chem., 61, 2018
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6EEO
 | | Bioreductive 4-hydroxy-3-nitro-5-ureido-benzenesulfonamides selectively target the tumor-associated carbonic anhydrase isoforms IX and XII and show hypoxia-enhanced cytotoxicity against human cancer cell lines. | | Descriptor: | 3-{[(4-fluoro-3-methylphenyl)carbamoyl]amino}-4-hydroxy-5-nitrobenzene-1-sulfonamide, Carbonic anhydrase 2, ZINC ION | | Authors: | Singh, S, McKenna, R, Supuran, C.T, Nocentini, A, Lomelino, C, Lucarini, E, Bartolucci, G, Mannelli, L.D.C, Ghelardini, C, Gratteri, P. | | Deposit date: | 2018-08-15 | | Release date: | 2018-11-28 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.719 Å) | | Cite: | 4-Hydroxy-3-nitro-5-ureido-benzenesulfonamides Selectively Target the Tumor-Associated Carbonic Anhydrase Isoforms IX and XII Showing Hypoxia-Enhanced Antiproliferative Profiles.
J. Med. Chem., 61, 2018
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6ECZ
 | | Bioreductive 4-hydroxy-3-nitro-5-ureido-benzenesulfonamides selectively target the tumor-associated carbonic anhydrase isoforms IX and XII and show hypoxia-enhanced cytotoxicity against human cancer cell lines. | | Descriptor: | Carbonic anhydrase 2, N-[2-hydroxy-3-nitro-5-(nitrosulfonyl)phenyl]-N'-(pentafluorophenyl)urea, ZINC ION | | Authors: | Singh, S, McKenna, R, Supuran, C.T, Nocentini, A, Lomelino, C, Lucarini, E, Bartolucci, G, Mannelli, L.D.C, Ghelardini, C, Gratteri, P. | | Deposit date: | 2018-08-08 | | Release date: | 2018-11-28 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.21 Å) | | Cite: | 4-Hydroxy-3-nitro-5-ureido-benzenesulfonamides Selectively Target the Tumor-Associated Carbonic Anhydrase Isoforms IX and XII Showing Hypoxia-Enhanced Antiproliferative Profiles.
J. Med. Chem., 61, 2018
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2Q72
 | | Crystal Structure Analysis of LeuT complexed with L-leucine, sodium, and imipramine | | Descriptor: | 3-(5H-DIBENZO[B,F]AZEPIN-5-YL)-N,N-DIMETHYLPROPAN-1-AMINE, LEUCINE, SODIUM ION, ... | | Authors: | Singh, S.K, Yamashita, A, Gouaux, E. | | Deposit date: | 2007-06-05 | | Release date: | 2007-08-21 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Antidepressant binding site in a bacterial homologue of neurotransmitter transporters.
Nature, 448, 2007
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2QB4
 | | Crystal Structure Analysis of LeuT complexed with L-leucine, sodium and desipramine | | Descriptor: | 3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-5-YL)-N-METHYLPROPAN-1-AMINE, LEUCINE, SODIUM ION, ... | | Authors: | Singh, S.K, Yamashita, A, Gouaux, E. | | Deposit date: | 2007-06-15 | | Release date: | 2007-08-21 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Antidepressant binding site in a bacterial homologue of neurotransmitter transporters.
Nature, 448, 2007
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2Q6H
 | | Crystal Structure Analysis of LeuT complexed with L-leucine, sodium, and clomipramine | | Descriptor: | 3-(3-CHLORO-5H-DIBENZO[B,F]AZEPIN-5-YL)-N,N-DIMETHYLPROPAN-1-AMINE, LEUCINE, SODIUM ION, ... | | Authors: | Singh, S.K, Yamashita, A, Gouaux, E. | | Deposit date: | 2007-06-05 | | Release date: | 2007-08-21 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Antidepressant binding site in a bacterial homologue of neurotransmitter transporters.
Nature, 448, 2007
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3F4I
 | | Crystal Structure of LeuT bound to L-selenomethionine and sodium | | Descriptor: | SELENOMETHIONINE, SODIUM ION, Transporter, ... | | Authors: | Singh, S.K, Piscitelli, C.L, Yamashita, A, Gouaux, E. | | Deposit date: | 2008-10-31 | | Release date: | 2008-12-23 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | A competitive inhibitor traps LeuT in an open-to-out conformation.
Science, 322, 2008
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3F48
 | | Crystal structure of LeuT bound to L-alanine and sodium | | Descriptor: | ALANINE, SODIUM ION, Transporter, ... | | Authors: | Singh, S.K, Piscitelli, C.L, Yamashita, A, Gouaux, E. | | Deposit date: | 2008-10-31 | | Release date: | 2008-12-23 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | A competitive inhibitor traps LeuT in an open-to-out conformation.
Science, 322, 2008
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3F4J
 | | Crystal structure of LeuT bound to glycine and sodium | | Descriptor: | GLYCINE, SODIUM ION, Transporter, ... | | Authors: | Singh, S.K, Piscitelli, C.L, Yamashita, A, Gouaux, E. | | Deposit date: | 2008-10-31 | | Release date: | 2008-12-23 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | A competitive inhibitor traps LeuT in an open-to-out conformation.
Science, 322, 2008
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7MU4
 | | Crystal Structure of HPV L1-directed D24.M01Fab | | Descriptor: | D24.M01 Fab Heavy Chain, D24.M01 Fab Light Chain, DI(HYDROXYETHYL)ETHER | | Authors: | Singh, S, Pancera, M. | | Deposit date: | 2021-05-14 | | Release date: | 2022-05-18 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.83 Å) | | Cite: | Structural Characterisation of Immune Responses to HPV Vaccination
To Be Published
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6XQW
 | | Crystal Structure of MaliM03 Fab in complex with Pfmsp1-19 | | Descriptor: | MaliM03 Fab Heavy Chain, MaliM03 Fab Light Chain, Pfmsp1-19 | | Authors: | Singh, S, Pancera, M. | | Deposit date: | 2020-07-10 | | Release date: | 2021-03-03 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.991 Å) | | Cite: | Multimeric antibodies from antigen-specific human IgM+ memory B cells restrict Plasmodium parasites.
J.Exp.Med., 218, 2021
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7MX8
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7MYT
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6VBV
 | | Structure of the bovine BBSome:ARL6:GTP complex | | Descriptor: | ADP-ribosylation factor-like protein 6, BBS1 domain-containing protein, Bardet-Biedl syndrome 18 protein, ... | | Authors: | Singh, S.K, Gui, M, Koh, F, Yip, M.C.J, Brown, A. | | Deposit date: | 2019-12-19 | | Release date: | 2020-01-29 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Structure and activation mechanism of the BBSome membrane protein trafficking complex.
Elife, 9, 2020
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8U0N
 | | Crystal structure of isopentenyl phosphate kinase from Thermococcus paralvinellae bound to 2-cyclopentylideneethyl monophosphate and ADP | | Descriptor: | 2-cyclopentylideneethyl dihydrogen phosphate, ADENOSINE-5'-DIPHOSPHATE, Isopentenyl phosphate kinase | | Authors: | Singh, S, Thomas, L.M, Johnson, B.P, Brown, S. | | Deposit date: | 2023-08-29 | | Release date: | 2024-02-21 | | Last modified: | 2024-06-12 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Ternary complexes of isopentenyl phosphate kinase from Thermococcus paralvinellae reveal molecular determinants of non-natural substrate specificity.
Proteins, 92, 2024
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8U0L
 | | Crystal structure of isopentenyl phosphate kinase from Thermococcus paralvinellae bound to (E)-But-2-en-1-yl monophosphate and ADP | | Descriptor: | (2E)-but-2-en-1-yl dihydrogen phosphate, ADENOSINE-5'-DIPHOSPHATE, Isopentenyl phosphate kinase | | Authors: | Singh, S, Thomas, L.M, Johnson, B.P, Brown, S. | | Deposit date: | 2023-08-29 | | Release date: | 2024-02-21 | | Last modified: | 2024-06-12 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Ternary complexes of isopentenyl phosphate kinase from Thermococcus paralvinellae reveal molecular determinants of non-natural substrate specificity.
Proteins, 92, 2024
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8U0K
 | | Crystal structure of isopentenyl phosphate kinase from Thermococcus paralvinellae bound to DMAP and ADP | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Dimethylallyl monophosphate, Isopentenyl phosphate kinase | | Authors: | Singh, S, Thomas, L.M, Johnson, B.P, Brown, S. | | Deposit date: | 2023-08-29 | | Release date: | 2024-02-21 | | Last modified: | 2024-06-12 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Ternary complexes of isopentenyl phosphate kinase from Thermococcus paralvinellae reveal molecular determinants of non-natural substrate specificity.
Proteins, 92, 2024
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8U0M
 | | Crystal structure of isopentenyl phosphate kinase from Thermococcus paralvinellae bound to (E)-2-methylbut-2-en-1-yl monophosphate and ATP | | Descriptor: | (2E)-2-methylbut-2-en-1-yl dihydrogen phosphate, ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ... | | Authors: | Singh, S, Thomas, L.M, Johnson, B.P, Brown, S. | | Deposit date: | 2023-08-29 | | Release date: | 2024-02-21 | | Last modified: | 2024-06-12 | | Method: | X-RAY DIFFRACTION (2.54 Å) | | Cite: | Ternary complexes of isopentenyl phosphate kinase from Thermococcus paralvinellae reveal molecular determinants of non-natural substrate specificity.
Proteins, 92, 2024
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6VBU
 | | Structure of the bovine BBSome complex | | Descriptor: | BBS1 domain-containing protein, Bardet-Biedl syndrome 18 protein, Bardet-Biedl syndrome 2 protein homolog, ... | | Authors: | Singh, S.K, Gui, M, Koh, F, Yip, M.C.J, Brown, A. | | Deposit date: | 2019-12-19 | | Release date: | 2020-01-29 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Structure and activation mechanism of the BBSome membrane protein trafficking complex.
Elife, 9, 2020
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2QEI
 | | Crystal structure analysis of LeuT complexed with L-alanine, sodium, and clomipramine | | Descriptor: | 3-(3-CHLORO-5H-DIBENZO[B,F]AZEPIN-5-YL)-N,N-DIMETHYLPROPAN-1-AMINE, ALANINE, SODIUM ION, ... | | Authors: | Singh, S.K, Yamashita, A, Gouaux, E. | | Deposit date: | 2007-06-25 | | Release date: | 2007-08-21 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Antidepressant binding site in a bacterial homologue of neurotransmitter transporters.
Nature, 448, 2007
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6NM0
 | | Selective inhibition of carbonic anhydrase IX activity, using compound SLC-149, displays limited anticancer effects in breast cancer cell lines | | Descriptor: | 4-[3-(2,4-difluorophenyl)-2-oxo-2,3-dihydro-1H-imidazol-1-yl]benzene-1-sulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... | | Authors: | Singh, S, McKenna, R. | | Deposit date: | 2019-01-10 | | Release date: | 2020-01-15 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.44 Å) | | Cite: | Inhibition of Carbonic Anhydrase Using SLC-149: Support for a Noncatalytic Function of CAIX in Breast Cancer.
J.Med.Chem., 64, 2021
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6NLV
 | | Selective inhibition of carbonic anhydrase IX activity, using compound SLC-149, displays limited anticancer effects in breast cancer cell lines | | Descriptor: | 4-[3-(2,4-difluorophenyl)-2-oxo-2,3-dihydro-1H-imidazol-1-yl]benzene-1-sulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... | | Authors: | Singh, S, McKenna, R. | | Deposit date: | 2019-01-09 | | Release date: | 2020-01-15 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.794 Å) | | Cite: | Inhibition of Carbonic Anhydrase Using SLC-149: Support for a Noncatalytic Function of CAIX in Breast Cancer.
J.Med.Chem., 64, 2021
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