2F6K
 
 | | Crystal Structure of Amidohydrorolase II; Northeast Structural Genomics Target LpR24 | | Descriptor: | MANGANESE (II) ION, metal-dependent hydrolase | | Authors: | Das, K, Xiao, R, Acton, T, Ma, L, Arnold, E, Montelione, G.T, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2005-11-29 | | Release date: | 2006-01-10 | | Last modified: | 2017-10-18 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal Structure of ACMDS from Lactobacillus plantarum
To be Published
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8C5U
 | | Cryo-EM structure of yeast mitochondrial RNA polymerase transcription initiation complex with 8-mer RNA, pppGpGpUpApApApUpG (IC8) | | Descriptor: | DNA-directed RNA polymerase, mitochondrial, GUANOSINE-5'-TRIPHOSPHATE, ... | | Authors: | Goovaerts, Q, Shen, J, Patel, S.S, Das, K. | | Deposit date: | 2023-01-10 | | Release date: | 2023-08-30 | | Last modified: | 2023-11-01 | | Method: | ELECTRON MICROSCOPY (3.62 Å) | | Cite: | Structures illustrate step-by-step mitochondrial transcription initiation.
Nature, 622, 2023
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8C5S
 | | Cryo-EM structure of yeast mitochondrial RNA polymerase transcription initiation complex with 7-mer RNA, pppGpGpUpApApApU (IC7) | | Descriptor: | DNA-directed RNA polymerase, mitochondrial, GUANOSINE-5'-TRIPHOSPHATE, ... | | Authors: | Goovaerts, Q, Shen, J, Patel, S.S, Das, K. | | Deposit date: | 2023-01-10 | | Release date: | 2023-08-30 | | Last modified: | 2023-11-01 | | Method: | ELECTRON MICROSCOPY (3.75 Å) | | Cite: | Structures illustrate step-by-step mitochondrial transcription initiation.
Nature, 622, 2023
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6DV9
 | | Crystal structure of Mycobacterium tuberculosis transcription initiation complex(ECF sigma factor L) containing 5nt RNA with 4nt spacer | | Descriptor: | DNA (5'-D(*GP*CP*AP*TP*CP*CP*GP*TP*GP*AP*GP*TP*CP*GP*AP*GP*G)-3'), DNA (5'-D(P*CP*GP*TP*GP*TP*CP*AP*GP*AP*GP*TP*GP*TP*CP*AP*CP*GP*GP*AP*TP*GP*C)-3'), DNA-directed RNA polymerase subunit alpha, ... | | Authors: | Lin, W, Das, K, Feng, Y, Ebright, R.H. | | Deposit date: | 2018-06-23 | | Release date: | 2019-02-20 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (3.8 Å) | | Cite: | Structural basis of ECF-sigma-factor-dependent transcription initiation.
Nat Commun, 10, 2019
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4W9S
 | | 2-(4-(1H-tetrazol-5-yl)phenyl)-5-hydroxypyrimidin-4(3H)-one bound to influenza 2009 H1N1 endonuclease | | Descriptor: | 5-hydroxy-2-[4-(1H-tetrazol-5-yl)phenyl]pyrimidin-4(3H)-one, MANGANESE (II) ION, Polymerase acidic protein, ... | | Authors: | Bauman, J.D, Patel, D, Das, K, Arnold, E. | | Deposit date: | 2014-08-27 | | Release date: | 2014-10-01 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Phenyl Substituted 4-Hydroxypyridazin-3(2H)-ones and 5-Hydroxypyrimidin-4(3H)-ones: Inhibitors of Influenza A Endonuclease.
J.Med.Chem., 57, 2014
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6DVB
 | | Crystal structure of Mycobacterium tuberculosis transcription initiation complex(ECF sigma factor L) containing 5nt RNA with 5nt spacer | | Descriptor: | DNA (5'-D(*GP*CP*AP*TP*CP*CP*GP*TP*GP*AP*GP*TP*CP*GP*AP*GP*G)-3'), DNA (5'-D(P*CP*GP*TP*GP*TP*CP*AP*GP*TP*AP*GP*TP*GP*TP*CP*AP*CP*GP*GP*AP*TP*GP*C)-3'), DNA-directed RNA polymerase subunit alpha, ... | | Authors: | Lin, W, Das, K, Feng, Y, Ebright, R.H. | | Deposit date: | 2018-06-23 | | Release date: | 2019-02-20 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (3.8 Å) | | Cite: | Structural basis of ECF-sigma-factor-dependent transcription initiation.
Nat Commun, 10, 2019
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6DVE
 | | Crystal structure of Mycobacterium tuberculosis transcription initiation complex(ECF selenomethionine-labelled sigma factor L) with 6 nt spacer | | Descriptor: | DNA (5'-D(*GP*CP*AP*TP*CP*CP*GP*TP*GP*AP*GP*T)-3'), DNA (5'-D(P*CP*GP*TP*GP*TP*GP*AP*GP*TP*AP*AP*CP*TP*GP*TP*CP*AP*CP*GP*GP*AP*TP*GP*C)-3'), DNA-directed RNA polymerase subunit alpha, ... | | Authors: | Lin, W, Das, K, Feng, Y, Ebright, R.H. | | Deposit date: | 2018-06-23 | | Release date: | 2019-02-20 | | Last modified: | 2019-02-27 | | Method: | X-RAY DIFFRACTION (3.812 Å) | | Cite: | Structural basis of ECF-sigma-factor-dependent transcription initiation.
Nat Commun, 10, 2019
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8B6C
 | | Cryo-EM structure of ribosome-Sec61 in complex with cyclotriazadisulfonamide derivative CK147 | | Descriptor: | 28S rRNA, 4-[[9-(cyclohexylmethyl)-3-methylidene-5-(4-methylphenyl)sulfonyl-1,5,9-triazacyclododec-1-yl]sulfonyl]-~{N},~{N}-dimethyl-aniline, 5.8S rRNA, ... | | Authors: | Pauwels, E, Shewakramani, N.R, De Wijngaert, B, Vermeire, K, Das, K. | | Deposit date: | 2022-09-26 | | Release date: | 2023-02-22 | | Last modified: | 2023-03-15 | | Method: | ELECTRON MICROSCOPY (2.79 Å) | | Cite: | Structural insights into TRAP association with ribosome-Sec61 complex and translocon inhibition by a CADA derivative.
Sci Adv, 9, 2023
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8B5L
 | | Cryo-EM structure of ribosome-Sec61-TRAP (TRanslocon Associated Protein) translocon complex | | Descriptor: | 28S rRNA, 5.8S rRNA, 5S rRNA, ... | | Authors: | Pauwels, E, Shewakramani, N.R, De Wijngaert, B, Vermeire, K, Das, K. | | Deposit date: | 2022-09-23 | | Release date: | 2023-03-01 | | Last modified: | 2023-03-15 | | Method: | ELECTRON MICROSCOPY (2.86 Å) | | Cite: | Structural insights into TRAP association with ribosome-Sec61 complex and translocon inhibition by a CADA derivative.
Sci Adv, 9, 2023
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8Q63
 | | Cryo-EM structure of IC8', a second state of yeast mitochondrial RNA polymerase transcription initiation complex with 8-mer RNA, pppGpGpUpApApApUpG | | Descriptor: | DNA-directed RNA polymerase, mitochondrial, GUANOSINE-5'-TRIPHOSPHATE, ... | | Authors: | Goovaerts, Q, Shen, J, Patel, S.S, Das, K. | | Deposit date: | 2023-08-10 | | Release date: | 2023-08-30 | | Last modified: | 2023-11-01 | | Method: | ELECTRON MICROSCOPY (3.68 Å) | | Cite: | Structures illustrate step-by-step mitochondrial transcription initiation.
Nature, 622, 2023
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8AP1
 | | Cryo-EM structure of yeast mitochondrial RNA polymerase transcription initiation complex with two GTP molecules poised for de novo initiation (IC2) | | Descriptor: | DNA-directed RNA polymerase, mitochondrial, GUANOSINE-5'-TRIPHOSPHATE, ... | | Authors: | Goovaerts, Q, Shen, J, Patel, S.S, Das, K. | | Deposit date: | 2022-08-09 | | Release date: | 2023-08-23 | | Last modified: | 2023-11-01 | | Method: | ELECTRON MICROSCOPY (3.47 Å) | | Cite: | Structures illustrate step-by-step mitochondrial transcription initiation.
Nature, 622, 2023
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8ATV
 | | Cryo-EM structure of yeast mitochondrial RNA polymerase transcription initiation complex with 5-mer RNA, pppGpGpApApA (IC5) | | Descriptor: | DNA (36-MER), DNA-directed RNA polymerase, mitochondrial, ... | | Authors: | Goovaerts, Q, Shen, J, Patel, S.S, Das, K. | | Deposit date: | 2022-08-24 | | Release date: | 2023-08-30 | | Last modified: | 2023-11-01 | | Method: | ELECTRON MICROSCOPY (3.39 Å) | | Cite: | Structures illustrate step-by-step mitochondrial transcription initiation.
Nature, 622, 2023
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8ATW
 | | Cryo-EM structure of yeast mitochondrial RNA polymerase transcription initiation complex with 6-mer RNA, pppGpGpApApApU (IC6) | | Descriptor: | DNA-directed RNA polymerase, mitochondrial, GUANOSINE-5'-TRIPHOSPHATE, ... | | Authors: | Goovaerts, Q, Shen, J, Patel, S.S, Das, K. | | Deposit date: | 2022-08-24 | | Release date: | 2023-08-30 | | Last modified: | 2023-11-01 | | Method: | ELECTRON MICROSCOPY (3.62 Å) | | Cite: | Structures illustrate step-by-step mitochondrial transcription initiation.
Nature, 622, 2023
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8ATT
 | | Cryo-EM structure of yeast mitochondrial RNA polymerase transcription initiation complex with 4-mer RNA, pppGpGpUpA (IC4) | | Descriptor: | DNA-directed RNA polymerase, mitochondrial, GUANOSINE-5'-TRIPHOSPHATE, ... | | Authors: | Goovaerts, Q, Shen, J, Patel, S.S, Das, K. | | Deposit date: | 2022-08-24 | | Release date: | 2023-08-30 | | Last modified: | 2023-11-01 | | Method: | ELECTRON MICROSCOPY (3.44 Å) | | Cite: | Structures illustrate step-by-step mitochondrial transcription initiation.
Nature, 622, 2023
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7OZ2
 | | Crystal structure of HIV-1 reverse transcriptase with a double stranded DNA showing a transient P-pocket | | Descriptor: | CADMIUM ION, DNA (28-MER), DNA (5'-D(*AP*CP*AP*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*GP*CP*GP*CP*CP*G)-3'), ... | | Authors: | Martinez, S.E, Singh, A.K, Das, K. | | Deposit date: | 2021-06-25 | | Release date: | 2021-12-08 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | Sliding of HIV-1 reverse transcriptase over DNA creates a transient P pocket - targeting P-pocket by fragment screening.
Nat Commun, 12, 2021
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6O9E
 | | Structure of HIV-1 Reverse Transcriptase in complex with DNA and INDOPY-1 | | Descriptor: | 5-methyl-1-(4-nitrophenyl)-2-oxo-2,5-dihydro-1H-pyrido[3,2-b]indole-3-carbonitrile, AMMONIUM ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Ruiz, F.X, Hoang, A, Das, K, Arnold, E. | | Deposit date: | 2019-03-13 | | Release date: | 2019-10-23 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural Basis of HIV-1 Inhibition by Nucleotide-Competing Reverse Transcriptase Inhibitor INDOPY-1.
J.Med.Chem., 62, 2019
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7OXQ
 | | Crystal structure of HIV-1 reverse transcriptase with a double stranded DNA in complex with fragment 048 at the transient P-pocket. | | Descriptor: | 2-(4-bromanylpyrazol-1-yl)-~{N}-cyclopropyl-~{N}-methyl-ethanamide, CADMIUM ION, DNA (28-MER), ... | | Authors: | Martinez, S.E, Singh, A.K, Das, K. | | Deposit date: | 2021-06-22 | | Release date: | 2021-12-08 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Sliding of HIV-1 reverse transcriptase over DNA creates a transient P pocket - targeting P-pocket by fragment screening.
Nat Commun, 12, 2021
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7OZ5
 | | Crystal structure of HIV-1 reverse transcriptase with a double stranded DNA in complex with fragment 166 at the transient P-pocket. | | Descriptor: | (1~{R},2~{R})-2-phenyl-~{N}-(1,3-thiazol-2-yl)cyclopropane-1-carboxamide, CADMIUM ION, DNA (28-MER), ... | | Authors: | Martinez, S.E, Singh, A.K, Das, K. | | Deposit date: | 2021-06-25 | | Release date: | 2021-12-08 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (3.37 Å) | | Cite: | Sliding of HIV-1 reverse transcriptase over DNA creates a transient P pocket - targeting P-pocket by fragment screening.
Nat Commun, 12, 2021
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7OTK
 | | HIV-1 REVERSE TRANSCRIPTASE COMPLEX WITH DNA AND INHIBITOR RMC-233 | | Descriptor: | (2~{R})-2-[2-(6-aminopurin-9-yl)ethylamino]-3-phosphono-propanoic acid, DNA (5'-D(*CP*AP*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*(MRG)*CP*GP*CP*CP*(DDG))-3'), DNA (5'-D(P*GP*GP*TP*CP*GP*GP*CP*GP*CP*CP*CP*GP*AP*AP*CP*AP*GP*GP*GP*AP*CP*TP*G)-3'), ... | | Authors: | Martinez, S.E, Singh, A.K, Gu, W, Das, K. | | Deposit date: | 2021-06-10 | | Release date: | 2021-12-08 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.95 Å) | | Cite: | Exploring the dNTP -binding site of HIV-1 reverse transcriptase for inhibitor design.
Eur.J.Med.Chem., 225, 2021
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6BHJ
 | | Structure of HIV-1 Reverse Transcriptase Bound to a 38-mer Hairpin Template-Primer RNA-DNA Aptamer | | Descriptor: | 38-MER RNA-DNA Aptamer, GLYCEROL, HIV-1 REVERSE TRANSCRIPTASE P51 subunit, ... | | Authors: | Ruiz, F.X, Miller, M.T, Tuske, S, Das, K, Arnold, E. | | Deposit date: | 2017-10-30 | | Release date: | 2018-10-31 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.81 Å) | | Cite: | Integrative Structural Biology Studies of HIV-1 Reverse Transcriptase Binding to a High-Affinity DNA Aptamer
Curr Res Struct Biol, 2020
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7OT6
 | | HIV-1 REVERSE TRANSCRIPTASE COMPLEX WITH DNA AND inhibitor RMC-282 | | Descriptor: | (R)-N-(1-(6-amino-9H-purin-9-yl)propan-2-yl)-N-(2-phosphonoethyl)glycine, DNA (5'-D(*AP*TP*GP*GP*AP*AP*GP*GP*CP*GP*CP*CP*CP*GP*AP*AP*CP*AP*GP*GP*GP*AP*CP*TP*GP*TP*G)-3'), DNA (5'-D(*CP*AP*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*(MRG)*CP*GP*CP*CP*(DDG))-3'), ... | | Authors: | Martinez, S.E, Singh, A.K, Gu, W, Das, K. | | Deposit date: | 2021-06-09 | | Release date: | 2021-12-08 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Exploring the dNTP -binding site of HIV-1 reverse transcriptase for inhibitor design.
Eur.J.Med.Chem., 225, 2021
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7OTX
 | | HIV-1 REVERSE TRANSCRIPTASE COMPLEX WITH DNA AND INHIBITOR RMC-257 | | Descriptor: | (S)-2-((3-(6-amino-9H-purin-9-yl)propyl)amino)-3-phosphonopropanoic acid, DNA (5'-D(*CP*AP*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*(MRG)P*CP*GP*CP*CP*(DDG))-3'), DNA (5'-D(P*GP*GP*TP*CP*GP*GP*CP*GP*CP*CP*CP*GP*AP*AP*CP*AP*GP*GP*GP*AP*CP*TP*G)-3'), ... | | Authors: | Martinez, S.E, Singh, A.K, Gu, W, Das, K. | | Deposit date: | 2021-06-10 | | Release date: | 2021-12-08 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (3.45 Å) | | Cite: | Exploring the dNTP -binding site of HIV-1 reverse transcriptase for inhibitor design.
Eur.J.Med.Chem., 225, 2021
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7P15
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7OUT
 | | HIV-1 REVERSE TRANSCRIPTASE COMPLEX WITH DNA AND INHIBITOR RMC-264 | | Descriptor: | (S)-2-(3-(6-amino-9H-purin-9-yl)propoxy)-3-phosphonopropanoic acid, DNA (5'-D(*CP*AP*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*(MRG)P*CP*GP*CP*CP*(DDG))-3'), DNA (5'-D(P*GP*GP*TP*CP*GP*GP*CP*GP*CP*CP*CP*GP*AP*AP*CP*AP*GP*GP*GP*AP*CP*TP*G)-3'), ... | | Authors: | Martinez, S.E, Singh, A.K, Gu, W, Das, K. | | Deposit date: | 2021-06-13 | | Release date: | 2021-12-08 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Exploring the dNTP -binding site of HIV-1 reverse transcriptase for inhibitor design.
Eur.J.Med.Chem., 225, 2021
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7OTA
 | | HIV-1 REVERSE TRANSCRIPTASE COMPLEX WITH DNA AND INHIBITOR RMC-230 | | Descriptor: | ((2-(6-amino-9H-purin-9-yl)ethyl)-L-seryl)phosphoramidic acid, DNA (5'-D(*CP*AP*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*(MRG)*CP*GP*CP*CP*(DDG))-3'), DNA (5'-D(P*GP*GP*TP*CP*GP*GP*CP*GP*CP*CP*CP*GP*AP*AP*CP*AP*GP*GP*GP*AP*CP*TP*G)-3'), ... | | Authors: | Martinez, S.E, Singh, A.K, Gu, W, Das, K. | | Deposit date: | 2021-06-09 | | Release date: | 2021-12-08 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Exploring the dNTP -binding site of HIV-1 reverse transcriptase for inhibitor design.
Eur.J.Med.Chem., 225, 2021
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