6FT0
| Crystal structure of human phosphodiesterase 4D2 catalytic domain with inhibitor NPD-425 | Descriptor: | 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 4-{4-methoxy-3-[(2-methoxyphenyl)methoxy]phenyl}-2-(1-{thieno[3,2-d]pyrimidin-4-yl}piperidin-4-yl)-1,2,4a,5,8,8a-hexahydrophthalazin-1-one, ... | Authors: | Singh, A.K, Brown, D.G. | Deposit date: | 2018-02-20 | Release date: | 2019-03-20 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | hPDE4D2 structure with inhibitor NPD-425 To be published
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6FTA
| Crystal structure of human phosphodiesterase 4D2 catalytic domain with inhibitor NPD-3098 | Descriptor: | (4~{a}~{S},8~{a}~{S})-4-[4-methoxy-3-[(2-methoxyphenyl)methoxy]phenyl]-2-[1-(3-nitroimidazo[1,2-b]pyridazin-6-yl)piperidin-4-yl]-4~{a},5,6,7,8,8~{a}-hexahydrophthalazin-1-one, 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | Authors: | Singh, A.K, Brown, D.G. | Deposit date: | 2018-02-20 | Release date: | 2019-03-20 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.34 Å) | Cite: | hPDE4D2 structure with inhibitor NPD-3098 To be published
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6IAG
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6IBF
| Crystal structure of human phosphodiesterase 4D2 catalytic domain with inhibitor NPD-417 | Descriptor: | (4~{a}~{S},8~{a}~{R})-4-[4-methoxy-3-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]-2-(1-thieno[3,2-d]pyrimidin-4-ylpiperidin-4-yl)-4~{a},5,8,8~{a}-tetrahydrophthalazin-1-one, 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | Authors: | Singh, A.K, Brown, D.G. | Deposit date: | 2018-11-29 | Release date: | 2019-12-18 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (2.31 Å) | Cite: | hPDE4D2 structure with inhibitor NPD-417 To be published
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6J2M
| Crystal structure of AtFKBP53 C-terminal domain | Descriptor: | 8-DEETHYL-8-[BUT-3-ENYL]-ASCOMYCIN, CHLORIDE ION, Peptidyl-prolyl cis-trans isomerase FKBP53 | Authors: | Singh, A.K, Vasudevan, D. | Deposit date: | 2019-01-01 | Release date: | 2019-12-04 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.13 Å) | Cite: | AtFKBP53: a chimeric histone chaperone with functional nucleoplasmin and PPIase domains. Nucleic Acids Res., 48, 2020
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6J2Z
| AtFKBP53 N-terminal Nucleoplasmin Domain | Descriptor: | Peptidyl-prolyl cis-trans isomerase FKBP53 | Authors: | Singh, A.K, Vasudevan, D. | Deposit date: | 2019-01-03 | Release date: | 2019-12-04 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | AtFKBP53: a chimeric histone chaperone with functional nucleoplasmin and PPIase domains. Nucleic Acids Res., 48, 2020
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5NBH
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5NC1
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4G12
| Crystal structure of putative TetR family transcriptional regulator, Fad35R, from Mycobacterium tuberculosis | Descriptor: | GLYCEROL, Probable transcriptional regulatory protein (Probably TETR-FAMILY) | Authors: | Singh, A.K, Manjasetty, B.A, Singh, V, Mittal, M, Kumaran, S. | Deposit date: | 2012-07-10 | Release date: | 2013-07-10 | Last modified: | 2014-10-15 | Method: | X-RAY DIFFRACTION (3.44 Å) | Cite: | Crystal structure of putative TetR family transcriptional regulator, Fad35R, from Mycobacterium tuberculosis to be published
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7WIM
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7Z2G
| Cryo-EM structure of HIV-1 reverse transcriptase with a DNA aptamer in complex with doravirine | Descriptor: | 3-chloro-5-({1-[(4-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl]-2-oxo-4-(trifluoromethyl)-1,2-dihydropyridin-3-yl}oxy)benzonitrile, DNA (38-MER), Reverse transcriptase/ribonuclease H | Authors: | Singh, A.K, Das, K. | Deposit date: | 2022-02-26 | Release date: | 2022-07-20 | Last modified: | 2022-10-12 | Method: | ELECTRON MICROSCOPY (3.65 Å) | Cite: | Cryo-EM structures of wild-type and E138K/M184I mutant HIV-1 RT/DNA complexed with inhibitors doravirine and rilpivirine. Proc.Natl.Acad.Sci.USA, 119, 2022
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7Z2D
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7Z24
| Cryo-EM structure of HIV-1 reverse transcriptase with a DNA aptamer in complex with nevirapine | Descriptor: | 11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-6-ONE, DNA (38-mer), Reverse transcriptase/ribonuclease H | Authors: | Singh, A.K, Das, K. | Deposit date: | 2022-02-25 | Release date: | 2022-07-20 | Last modified: | 2022-08-03 | Method: | ELECTRON MICROSCOPY (3.32 Å) | Cite: | Cryo-EM structures of wild-type and E138K/M184I mutant HIV-1 RT/DNA complexed with inhibitors doravirine and rilpivirine. Proc.Natl.Acad.Sci.USA, 119, 2022
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7Z29
| Cryo-EM structure of NNRTI resistant M184I/E138K mutant HIV-1 reverse transcriptase with a DNA aptamer in complex with nevirapine | Descriptor: | 11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-6-ONE, DNA (38-MER), Reverse transcriptase/ribonuclease H, ... | Authors: | Singh, A.K, Das, K. | Deposit date: | 2022-02-26 | Release date: | 2022-07-20 | Last modified: | 2022-08-03 | Method: | ELECTRON MICROSCOPY (3.38 Å) | Cite: | Cryo-EM structures of wild-type and E138K/M184I mutant HIV-1 RT/DNA complexed with inhibitors doravirine and rilpivirine. Proc.Natl.Acad.Sci.USA, 119, 2022
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7Z2H
| Cryo-EM structure of NNRTI resistant M184I/E138K mutant HIV-1 reverse transcriptase with a DNA aptamer in complex with doravirine | Descriptor: | 3-chloro-5-({1-[(4-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl]-2-oxo-4-(trifluoromethyl)-1,2-dihydropyridin-3-yl}oxy)benzonitrile, DNA (38-MER), Reverse transcriptase/ribonuclease H, ... | Authors: | Singh, A.K, Das, K. | Deposit date: | 2022-02-27 | Release date: | 2022-07-20 | Last modified: | 2022-10-12 | Method: | ELECTRON MICROSCOPY (3.58 Å) | Cite: | Cryo-EM structures of wild-type and E138K/M184I mutant HIV-1 RT/DNA complexed with inhibitors doravirine and rilpivirine. Proc.Natl.Acad.Sci.USA, 119, 2022
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7Z2E
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4D1F
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4D0U
| Crystal structure of the fiber head domain of the Atadenovirus snake adenovirus 1, selenomethionine-derivative | Descriptor: | 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, FIBER PROTEIN, SULFATE ION | Authors: | Singh, A.K, van Raaij, M.J. | Deposit date: | 2014-04-30 | Release date: | 2014-12-17 | Last modified: | 2018-12-19 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Crystal structure of the fibre head domain of the Atadenovirus Snake Adenovirus 1. PLoS ONE, 9, 2014
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4D1G
| Crystal structure of the fiber head domain of the Atadenovirus snake adenovirus 1, native, second P212121 crystal form | Descriptor: | 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, FIBER PROTEIN, SULFATE ION | Authors: | Singh, A.K, van Raaij, M.J. | Deposit date: | 2014-05-01 | Release date: | 2014-12-17 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structure of the fibre head domain of the Atadenovirus Snake Adenovirus 1. PLoS ONE, 9, 2014
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4D0V
| Crystal structure of the fiber head domain of the Atadenovirus snake adenovirus 1, native, I213 crystal form | Descriptor: | 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, FIBER PROTEIN, SULFATE ION | Authors: | Singh, A.K, van Raaij, M.J. | Deposit date: | 2014-04-30 | Release date: | 2014-12-17 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystal structure of the fibre head domain of the Atadenovirus Snake Adenovirus 1. PLoS ONE, 9, 2014
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3ZPF
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3ZPE
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6D7V
| Crystal Structure of Rat TRPV6*- in complex with brominated 2-Aminoethoxydiphenyl borate (2-APB-Br) | Descriptor: | 2-aminoethyl (4-bromophenyl)phenylborinate, CALCIUM ION, Transient receptor potential cation channel subfamily V member 6 | Authors: | Singh, A.K, Saotome, K, McGoldrick, L.L, Sobolevsky, A.I. | Deposit date: | 2018-04-25 | Release date: | 2018-07-18 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (4.3 Å) | Cite: | Structural bases of TRP channel TRPV6 allosteric modulation by 2-APB. Nat Commun, 9, 2018
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6D7S
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6D7P
| Crystal Structure of Rat TRPV6*-Y466A | Descriptor: | 6-(5-METHYL-2-OXO-IMIDAZOLIDIN-4-YL)-HEXANOIC ACID, CALCIUM ION, Transient receptor potential cation channel subfamily V member 6 | Authors: | Singh, A.K, Saotome, K, McGoldrick, L.L, Sobolevsky, A.I. | Deposit date: | 2018-04-25 | Release date: | 2018-07-18 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3.37 Å) | Cite: | Structural bases of TRP channel TRPV6 allosteric modulation by 2-APB. Nat Commun, 9, 2018
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