6FDS
| Crystal structure of T. brucei PDE-B1 catalytic domain with inhibitor NPD-226 | Descriptor: | 1-[2-[4-[(4~{a}~{S},8~{a}~{R})-4-(3,4-dimethoxyphenyl)-1-oxidanylidene-4~{a},5,8,8~{a}-tetrahydrophthalazin-2-yl]piperi din-1-yl]-2-oxidanylidene-ethyl]-4,4-dimethyl-piperidine-2,6-dione, GLYCEROL, GUANIDINE, ... | Authors: | Singh, A.K, Brown, D.G. | Deposit date: | 2017-12-26 | Release date: | 2019-04-10 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | TbrPDEB1 structure with inhibitor NPD-226 To be published
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6FE7
| Crystal structure of human phosphodiesterase 4D2 catalytic domain with inhibitor NPD-356 | Descriptor: | (4aS,8aR)-2-(1-{2-aminothieno[2,3-d]pyrimidin-4-yl}piperidin-4-yl)-4-(3,4- dimethoxyphenyl)-1,2,4a,5,8,8a-hexahydrophthalazin-1-one, 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | Authors: | Singh, A.K, Brown, D.G. | Deposit date: | 2017-12-29 | Release date: | 2019-04-10 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | hPDE4D2 structure with inhibitor NPD-356 To be published
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6FET
| Crystal structure of human phosphodiesterase 4D2 catalytic domain with inhibitor NPD-1439 | Descriptor: | 1,2-ETHANEDIOL, 1-(2-{4-[(4aS,8aR)-4-[3,4-bis(difluoromethoxy)phenyl]-1-oxo-1,2,4a,5,8,8a-hexahydrophthalazin-2-yl]piperidin-1-yl}-2-oxoethyl)-4,4-dimethylpiperidine-2,6-dione, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | Authors: | Singh, A.K, Brown, D.G. | Deposit date: | 2018-01-03 | Release date: | 2019-04-24 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | hPDE4D2 structure with inhibitor NPD-1439 To be published
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6FTM
| Crystal structure of T. brucei PDE-B1 catalytic domain with inhibitor NPD-048 | Descriptor: | 1,2-ETHANEDIOL, 3-{5-[(4aR,8aS)-3-cycloheptyl-4-oxo-3,4,4a,5,8,8a-hexahydrophthalazin-1-yl]-2-methoxyphenyl}prop-2-ynamide, FORMIC ACID, ... | Authors: | Singh, A.K, Brown, D.G. | Deposit date: | 2018-02-22 | Release date: | 2019-03-20 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal structure of T. brucei PDE-B1 catalytic domain with inhibitor NPD-048 To be published
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6FW3
| Crystal structure of human phosphodiesterase 4D2 catalytic domain with inhibitor NPD-007 | Descriptor: | 1,2-ETHANEDIOL, 1-(2-{4-[(4aS,8aR)-4-(3,4-dimethoxyphenyl)-1-oxo-1,2,4a,5,8,8a-hexahydrophthalazin-2-yl]piperidin-1-yl}-2-oxoethyl)pyrrolidine-2,5-dione, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | Authors: | Singh, A.K, Brown, D.G. | Deposit date: | 2018-03-05 | Release date: | 2019-03-20 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | hPDE4D2 structure with inhibitor NPD-007 To be published
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6FV9
| Crystal structure of T. brucei PDE-B1 catalytic domain with inhibitor NPD-007 | Descriptor: | 1-(2-{4-[(4aS,8aR)-4-(3,4-dimethoxyphenyl)-1-oxo-1,2,4a,5,8,8a-hexahydrophthalazin-2-yl]piperidin-1-yl}-2-oxoethyl)pyrrolidine-2,5-dione, GLYCEROL, MAGNESIUM ION, ... | Authors: | Singh, A.K, Brown, D.G. | Deposit date: | 2018-03-01 | Release date: | 2019-03-20 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.48 Å) | Cite: | TbrPDEB1 structure with inhibitor NPD-007 To be published
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6FTW
| Crystal structure of human phosphodiesterase 4D2 catalytic domain with inhibitor NPD-048 | Descriptor: | 1,2-ETHANEDIOL, 3-{5-[(4aR,8aS)-3-cycloheptyl-4-oxo-3,4,4a,5,8,8a-hexahydrophthalazin-1-yl]-2-methoxyphenyl}prop-2-ynamide, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | Authors: | Singh, A.K, Brown, D.G. | Deposit date: | 2018-02-24 | Release date: | 2019-03-20 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.16 Å) | Cite: | Alkynamide phthalazinones as a new class of TbrPDEB1 inhibitors. Bioorg.Med.Chem., 27, 2019
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6GXQ
| Crystal structure of T. brucei PDE-B1 catalytic domain with inhibitor NPD-1335 | Descriptor: | 3-[5-[(4aR,8aS)-4-OXIDANYLIDENE-3-PROPAN-2-YL-4a,5,8,8a-TETRAHYDROPHTHALAZIN-1-YL]-2-METHOXY-PHENYL]-N-(PHENYLMETHYL)PROP-2-YNAMIDE, GLYCEROL, GUANIDINE, ... | Authors: | Singh, A.K, Brown, D.G. | Deposit date: | 2018-06-27 | Release date: | 2019-07-10 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Alkynamide phthalazinones as a new class of TbrPDEB1 inhibitors (Part 2). Bioorg.Med.Chem., 27, 2019
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5OPW
| Crystal structure of the GroEL mutant A109C | Descriptor: | 60 kDa chaperonin | Authors: | Yan, X, Shi, Q, Bracher, A, Milicic, G, Singh, A.K, Hartl, F.U, Hayer-Hartl, M. | Deposit date: | 2017-08-10 | Release date: | 2018-01-10 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (3.19 Å) | Cite: | GroEL Ring Separation and Exchange in the Chaperonin Reaction. Cell, 172, 2018
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5OPX
| Crystal structure of the GroEL mutant A109C in complex with GroES and ADP BeF2 | Descriptor: | 10 kDa chaperonin, 60 kDa chaperonin, ADENOSINE-5'-DIPHOSPHATE, ... | Authors: | Yan, X, Shi, Q, Bracher, A, Milicic, G, Singh, A.K, Hartl, F.U, Hayer-Hartl, M. | Deposit date: | 2017-08-10 | Release date: | 2018-01-10 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (3.64 Å) | Cite: | GroEL Ring Separation and Exchange in the Chaperonin Reaction. Cell, 172, 2018
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8Y9X
| Crystal structure of the complex of lactoperoxidase with four inorganic substrates, SCN, I, Br and Cl | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, BROMIDE ION, CALCIUM ION, ... | Authors: | Viswanathan, V, Singh, A.K, Pandey, N, Sinha, M, Kaur, P, Sharma, S, Singh, T.P. | Deposit date: | 2024-02-07 | Release date: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural evidence for the order of preference of inorganic substrates in mammalian heme peroxidases: crystal structure of the complex of lactoperoxidase with four inorganic substrates, SCN, I, Br and Cl To Be Published
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4UXG
| Crystal structure of the carboxy-terminal region of the bacteriophage T4 proximal long tail fibre protein gp34, R32 native crystal | Descriptor: | LARGE TAIL FIBER PROTEIN P34 | Authors: | Granell, M, Alvira, S, Garcia-Doval, C, Singh, A.K, van Raaij, M.J. | Deposit date: | 2014-08-22 | Release date: | 2015-09-30 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Crystal Structure of the Carboxy-Terminal Region of the Bacteriophage T4 Proximal Long Tail Fiber Protein Gp34. Viruses, 9, 2017
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4UXE
| Crystal structure of the carboxy-terminal region of the bacteriophage T4 proximal long tail fibre protein gp34, P21 selenomethionine crystal | Descriptor: | GLYCEROL, LARGE TAIL FIBER PROTEIN P34 | Authors: | Granell, M, Alvira, S, Garcia-Doval, C, Singh, A.K, van Raaij, M.J. | Deposit date: | 2014-08-22 | Release date: | 2015-08-19 | Last modified: | 2017-07-19 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal Structure of the Carboxy-Terminal Region of the Bacteriophage T4 Proximal Long Tail Fiber Protein Gp34. Viruses, 9, 2017
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4UXF
| Crystal structure of the carboxy-terminal region of the bacteriophage T4 proximal long tail fibre protein gp34, P21 native crystal | Descriptor: | GLYCEROL, LARGE TAIL FIBER PROTEIN P34 | Authors: | Granell, M, Alvira, S, Garcia-Doval, C, Singh, A.K, van Raaij, M.J. | Deposit date: | 2014-08-22 | Release date: | 2015-12-16 | Last modified: | 2017-08-02 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal Structure of the Carboxy-Terminal Region of the Bacteriophage T4 Proximal Long Tail Fiber Protein Gp34. Viruses, 9, 2017
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7VE3
| Structure of the complex of sheep lactoperoxidase with hypoiodite at 2.70 A resolution | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, IODIDE ION, ... | Authors: | Singh, P.K, Yamini, S, Singh, R.P, Singh, A.K, Sinha, M, Kaur, P, Sharma, S, Singh, T.P. | Deposit date: | 2021-09-07 | Release date: | 2021-09-22 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structural evidence of the oxidation of iodide ion into hyper-reactive hypoiodite ion by mammalian heme lactoperoxidase. Protein Sci., 31, 2022
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8ING
| Structure of the ternary complex of lactoperoxidase with substrate nitric oxide (NO) and product nitrite ion (NO2) at 1.98 A resolution | Descriptor: | 1,2-ETHANEDIOL, 1-(OXIDOSULFANYL)METHANAMINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Ahmad, M.I, Viswanathan, V, Kumar, M, Singh, R.P, Singh, A.K, Sinha, M, Kaur, P, Sharma, P, Sharma, S, Singh, T.P. | Deposit date: | 2023-03-09 | Release date: | 2023-04-05 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Structure of the ternary complex of lactoperoxidase with substrate nitric oxide (NO) and product nitrite ion (NO2) at 1.98 A resolution To be published
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6XZ4
| Crystal structure of TLNRD1 | Descriptor: | Talin rod domain-containing protein 1 | Authors: | Cowell, A, Singh, A.K, Brown, D.G, Goult, B.T. | Deposit date: | 2020-02-01 | Release date: | 2020-05-27 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Talin rod domain-containing protein 1 (TLNRD1) is a novel actin-bundling protein which promotes filopodia formation. J.Cell Biol., 220, 2021
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6XZ3
| Crystal structure of TLNRD1 4-helix bundle | Descriptor: | 1,2-ETHANEDIOL, Talin rod domain-containing protein 1 | Authors: | Cowell, A, Singh, A.K, Brown, D.G, Goult, B.T. | Deposit date: | 2020-02-01 | Release date: | 2020-05-27 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.19 Å) | Cite: | Talin rod domain-containing protein 1 (TLNRD1) is a novel actin-bundling protein which promotes filopodia formation. J.Cell Biol., 220, 2021
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4RUH
| Crystal structure of Human Carnosinase-2 (CN2) in complex with inhibitor, Bestatin at 2.25 A | Descriptor: | 2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)-4-METHYL-PENTANOIC ACID, Cytosolic non-specific dipeptidase, GLYCEROL, ... | Authors: | pandya, V, Kaushik, A, Singh, A.K, Singh, R.P, Kumaran, S. | Deposit date: | 2014-11-19 | Release date: | 2015-11-25 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Crystal structure of Human Carnosinase-2 (CN2) in complex with inhibitor, Bestatin at 2.25 A TO BE PUBLISHED
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3ERH
| First structural evidence of substrate specificity in mammalian peroxidases: Crystal structures of substrate complexes with lactoperoxidases from two different species | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, IODIDE ION, ... | Authors: | Sheikh, I.A, Singh, N, Singh, A.K, Sinha, M, Singh, S.B, Bhushan, A, Kaur, P, Srinivasan, A, Sharma, S, Singh, T.P. | Deposit date: | 2008-10-02 | Release date: | 2009-03-31 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural Evidence of Substrate Specificity in Mammalian Peroxidases: STRUCTURE OF THE THIOCYANATE COMPLEX WITH LACTOPEROXIDASE AND ITS INTERACTIONS AT 2.4 A RESOLUTION J.Biol.Chem., 284, 2009
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5GH0
| Crystal structure of the complex of bovine lactoperoxidase with mercaptoimidazole at 2.3 A resolution | Descriptor: | 1,3-dihydroimidazole-2-thione, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Singh, P.K, Sirohi, H.V, Singh, A.K, Bhushan, A, Kaur, P, Sharma, S, Singh, T.P. | Deposit date: | 2016-06-17 | Release date: | 2016-06-29 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Design of anti-thyroid drugs: Binding studies and structure determination of the complex of lactoperoxidase with 2-mercaptoimidazole at 2.30 angstrom resolution Proteins, 85, 2017
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5FF1
| Two way mode of binding of antithyroid drug methimazole to mammalian heme peroxidases: Structure of the complex of lactoperoxidase with methimazole at 1.97 Angstrom resolution | Descriptor: | 1-METHYL-1,3-DIHYDRO-2H-IMIDAZOLE-2-THIONE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Singh, R.P, Singh, A, Sirohi, H, Singh, A.K, Kaur, P, Sharma, S, Singh, T.P. | Deposit date: | 2015-12-17 | Release date: | 2016-01-13 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | Dual binding mode of antithyroid drug methimazole to mammalian heme peroxidases - structural determination of the lactoperoxidase-methimazole complex at 1.97 angstrom resolution. Febs Open Bio, 6, 2016
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7SHF
| Cryo-EM structure of GPR158 coupled to the RGS7-Gbeta5 complex | Descriptor: | (2S)-1-{[(S)-hydroxy{[(1s,2R,3R,4R,5S,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}-3-(octadecanoyloxy)propan-2-yl (5E,8E,11E,14E)-icosa-5,8,11,14-tetraenoate, 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, CHOLESTEROL, ... | Authors: | Patil, D.N, Singh, S, Singh, A.K, Martemyanov, K.A. | Deposit date: | 2021-10-08 | Release date: | 2021-12-01 | Last modified: | 2022-01-19 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Cryo-EM structure of human GPR158 receptor coupled to the RGS7-G beta 5 signaling complex. Science, 375, 2022
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7SHE
| Cryo-EM structure of human GPR158 | Descriptor: | (2S)-1-{[(S)-hydroxy{[(1s,2R,3R,4R,5S,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}-3-(octadecanoyloxy)propan-2-yl (5E,8E,11E,14E)-icosa-5,8,11,14-tetraenoate, 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, CHOLESTEROL, ... | Authors: | Patil, D.N, Singh, S, Singh, A.K, Martemyanov, K.A. | Deposit date: | 2021-10-08 | Release date: | 2021-12-01 | Last modified: | 2022-01-19 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Cryo-EM structure of human GPR158 receptor coupled to the RGS7-G beta 5 signaling complex. Science, 375, 2022
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3CR9
| Crystal structure of the complex of Lactoferrin with 6-(Hydroxymethyl)oxane-2,3,4,5-tetrol at 3.49 A resolution | Descriptor: | FE (III) ION, Lactotransferrin, alpha-D-glucopyranose | Authors: | Mir, R, Kaur, A, Singh, A.K, Singh, N, Kaur, P, Sharma, S, Singh, T.P. | Deposit date: | 2008-04-05 | Release date: | 2008-04-29 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (3.49 Å) | Cite: | Crystal structure of the complex of Lactoferrin with 6-(Hydroxymethyl)oxane-2,3,4,5-tetrol at 3.49 A resolution To be Published
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