6P4F
| Crystal structure of the XPB-Bax1-forked DNA ternary complex | Descriptor: | CHLORIDE ION, DNA (5'-D(*TP*TP*GP*AP*CP*TP*CP*AP*AP*CP*AP*TP*CP*CP*TP*TP*TP*GP*CP*TP*AP*CP*AP*A)-3'), DNA (5'-D(P*TP*GP*TP*AP*GP*GP*TP*TP*TP*CP*CP*AP*TP*GP*TP*TP*GP*AP*GP*TP*CP*A)-3'), ... | Authors: | He, F, Hilario, E, Fan, L. | Deposit date: | 2019-05-27 | Release date: | 2020-06-17 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (3.55 Å) | Cite: | Structural basis of the XPB helicase-Bax1 nuclease complex interacting with the repair bubble DNA. Nucleic Acids Res., 48, 2020
|
|
6P6L
| HCV NS3/4A protease domain of genotype 1a in complex with glecaprevir | Descriptor: | (3aR,7S,10S,12R,21E,24aR)-7-tert-butyl-N-[(1R,2R)-2-(difluoromethyl)-1-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}cyclop ropyl]-20,20-difluoro-5,8-dioxo-2,3,3a,5,6,7,8,11,12,20,23,24a-dodecahydro-1H,10H-9,12-methanocyclopenta[18,19][1,10,17, 3,6]trioxadiazacyclononadecino[11,12-b]quinoxaline-10-carboxamide, 1,2-ETHANEDIOL, ... | Authors: | Timm, J, Schiffer, C.A. | Deposit date: | 2019-06-04 | Release date: | 2020-06-10 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.728 Å) | Cite: | HCV NS3/4A protease domain of genotype 1a in complex with glecaprevir To Be Published
|
|
5OB3
| iSpinach aptamer | Descriptor: | 4-(3,5-difluoro-4-hydroxybenzyl)-1,2-dimethyl-1H-imidazol-5-ol, POTASSIUM ION, RNA aptamer (69-MER), ... | Authors: | Fernandez-Millan, P, Autour, A, Westhof, E, Ryckelynck, M. | Deposit date: | 2017-06-26 | Release date: | 2017-10-04 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.004 Å) | Cite: | Crystal structure and fluorescence properties of the iSpinach aptamer in complex with DFHBI. RNA, 23, 2017
|
|
6P6S
| HCV NS3/4A protease domain of genotype 3a in complex with glecaprevir | Descriptor: | (3aR,7S,10S,12R,21E,24aR)-7-tert-butyl-N-[(1R,2R)-2-(difluoromethyl)-1-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}cyclop ropyl]-20,20-difluoro-5,8-dioxo-2,3,3a,5,6,7,8,11,12,20,23,24a-dodecahydro-1H,10H-9,12-methanocyclopenta[18,19][1,10,17, 3,6]trioxadiazacyclononadecino[11,12-b]quinoxaline-10-carboxamide, 1,2-ETHANEDIOL, ... | Authors: | Timm, J, Schiffer, C.A. | Deposit date: | 2019-06-04 | Release date: | 2020-06-10 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Molecular mechanism of pan-genotypic HCV NS3/4A protease inhibition by glecaprevir and characterization of genotype-specific structural differences To Be Published
|
|
5OBB
| |
6P6V
| HCV NS3/4A protease domain of genotype 5a in complex with glecaprevir | Descriptor: | (3aR,7S,10S,12R,21E,24aR)-7-tert-butyl-N-[(1R,2R)-2-(difluoromethyl)-1-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}cyclop ropyl]-20,20-difluoro-5,8-dioxo-2,3,3a,5,6,7,8,11,12,20,23,24a-dodecahydro-1H,10H-9,12-methanocyclopenta[18,19][1,10,17, 3,6]trioxadiazacyclononadecino[11,12-b]quinoxaline-10-carboxamide, 1,2-ETHANEDIOL, ... | Authors: | Timm, J, Schiffer, C.A. | Deposit date: | 2019-06-04 | Release date: | 2020-06-10 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Molecular mechanism of pan-genotypic HCV NS3/4A protease inhibition by glecaprevir and characterization of genotype-specific structural differences To Be Published
|
|
7W9J
| Crystal Structure of the Oxomolybdenum Mesoporphyrin IX-Reconstituted CYP102A1 (P450BM3) Heme Domain with N-Dodecanoyl-L-Homoserine Lactone | Descriptor: | Bifunctional cytochrome P450/NADPH--P450 reductase, GLYCEROL, N-[(3S)-2-oxooxolan-3-yl]dodecanamide, ... | Authors: | Karasawa, M, Stanfield, J.K, Kasai, C, Sugimoto, H, Shoji, O. | Deposit date: | 2021-12-09 | Release date: | 2022-12-14 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Crystal Structure of the Oxomolybdenum Mesoporphyrin IX-Reconstituted CYP102A1 (P450BM3) Heme Domain with N-Dodecanoyl-L-Homoserine Lactone To Be Published
|
|
5OCW
| Structure of Mycobacterium tuberculosis tryptophan synthase in space group F222 | Descriptor: | 2-[({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYL)AMINO]ACRYLIC ACID, Tryptophan synthase alpha chain, Tryptophan synthase beta chain | Authors: | Futterer, K, Abrahams, K, Cox, J.A.G, Besra, G.S. | Deposit date: | 2017-07-03 | Release date: | 2017-07-12 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (4 Å) | Cite: | Inhibiting mycobacterial tryptophan synthase by targeting the inter-subunit interface. Sci Rep, 7, 2017
|
|
5ODH
| Heterodisulfide reductase / [NiFe]-hydrogenase complex from Methanothermococcus thermolithotrophicus soaked with heterodisulfide for 3.5 minutes | Descriptor: | 1-THIOETHANESULFONIC ACID, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3,6,9,12,15,18,21,24,27,30,33,36,39-TRIDECAOXAHENTETRACONTANE-1,41-DIOL, ... | Authors: | Wagner, T, Koch, J, Ermler, U, Shima, S. | Deposit date: | 2017-07-05 | Release date: | 2017-08-30 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Methanogenic heterodisulfide reductase (HdrABC-MvhAGD) uses two noncubane [4Fe-4S] clusters for reduction. Science, 357, 2017
|
|
6P89
| E.coli LpxD in complex with compound 7 | Descriptor: | 3-hydroxy-7,7-dimethyl-2-phenyl-4-(thiophen-2-yl)-2,6,7,8-tetrahydro-5H-pyrazolo[3,4-b]quinolin-5-one, MAGNESIUM ION, N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(8-methyl[1]benzopyrano[4,3-c]pyrazol-1(4H)-yl)acetamide, ... | Authors: | Ma, X, Shia, S. | Deposit date: | 2019-06-06 | Release date: | 2019-08-28 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Structural and Biological Basis of Small Molecule Inhibition ofEscherichia coliLpxD Acyltransferase Essential for Lipopolysaccharide Biosynthesis. Acs Infect Dis., 6, 2020
|
|
6P6A
| Structure of Mouse Importin alpha - NIT2 NLS peptide complex | Descriptor: | Importin subunit alpha-1, Nitrogen catabolic enzyme regulatory protein | Authors: | Bernardes, N.E, Fukuda, C.A, Silva, T.D, Oliveira, H.C, Fontes, M.R.M. | Deposit date: | 2019-06-03 | Release date: | 2020-01-29 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.151 Å) | Cite: | Comparative study of the interactions between fungal transcription factor nuclear localization sequences with mammalian and fungal importin-alpha. Sci Rep, 10, 2020
|
|
6Q36
| |
6P6O
| HCV NS3/4A protease domain of genotype 1a D168E in complex with glecaprevir | Descriptor: | (3aR,7S,10S,12R,21E,24aR)-7-tert-butyl-N-[(1R,2R)-2-(difluoromethyl)-1-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}cyclop ropyl]-20,20-difluoro-5,8-dioxo-2,3,3a,5,6,7,8,11,12,20,23,24a-dodecahydro-1H,10H-9,12-methanocyclopenta[18,19][1,10,17, 3,6]trioxadiazacyclononadecino[11,12-b]quinoxaline-10-carboxamide, CHLORIDE ION, ... | Authors: | Timm, J, Schiffer, C.A. | Deposit date: | 2019-06-04 | Release date: | 2020-06-10 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.002 Å) | Cite: | HCV NS3/4A protease domain of genotype 1a in complex with glecaprevir To Be Published
|
|
7W1M
| Cryo-EM structure of human cohesin-CTCF-DNA complex | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, Cohesin subunit SA-1, ... | Authors: | Shi, Z.B, Bai, X.C, Yu, H. | Deposit date: | 2021-11-19 | Release date: | 2023-05-31 | Last modified: | 2023-12-13 | Method: | ELECTRON MICROSCOPY (6.5 Å) | Cite: | CTCF and R-loops are boundaries of cohesin-mediated DNA looping. Mol.Cell, 83, 2023
|
|
6P6T
| HCV NS3/4A protease domain of genotype 4a in complex with glecaprevir | Descriptor: | (3aR,7S,10S,12R,21E,24aR)-7-tert-butyl-N-[(1R,2R)-2-(difluoromethyl)-1-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}cyclop ropyl]-20,20-difluoro-5,8-dioxo-2,3,3a,5,6,7,8,11,12,20,23,24a-dodecahydro-1H,10H-9,12-methanocyclopenta[18,19][1,10,17, 3,6]trioxadiazacyclononadecino[11,12-b]quinoxaline-10-carboxamide, Non-structural protein 4A,Serine protease NS3, ... | Authors: | Timm, J, Schiffer, C.A. | Deposit date: | 2019-06-04 | Release date: | 2020-06-10 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Molecular mechanism of pan-genotypic HCV NS3/4A protease inhibition by glecaprevir and characterization of genotype-specific structural differences To Be Published
|
|
5OF3
| |
6PSU
| Escherichia coli RNA polymerase promoter unwinding intermediate (TRPi2) with TraR and rpsT P2 promoter | Descriptor: | CHAPSO, DNA (85-MER), DNA-directed RNA polymerase subunit alpha, ... | Authors: | Chen, J, Chiu, C.E, Campbell, E.A, Darst, S.A. | Deposit date: | 2019-07-13 | Release date: | 2020-03-25 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | Stepwise Promoter Melting by Bacterial RNA Polymerase. Mol.Cell, 78, 2020
|
|
6P7D
| D104N S. typhimurium siroheme synthase | Descriptor: | CHLORIDE ION, S-ADENOSYL-L-HOMOCYSTEINE, Siroheme synthase | Authors: | Pennington, J.M, Stroupe, M.E. | Deposit date: | 2019-06-05 | Release date: | 2020-02-26 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Siroheme synthase orients substrates for dehydrogenase and chelatase activities in a common active site. Nat Commun, 11, 2020
|
|
6P87
| E.coli LpxD in complex with compound 5 | Descriptor: | 3-hydroxy-7,7-dimethyl-2-phenyl-4-(thiophen-2-yl)-2,6,7,8-tetrahydro-5H-pyrazolo[3,4-b]quinolin-5-one, MAGNESIUM ION, N-[(R)-(1H-indol-3-yl)(thiophen-2-yl)methyl]-2-(2-methoxyphenoxy)-N-methylacetamide, ... | Authors: | Ma, X, Shia, S. | Deposit date: | 2019-06-06 | Release date: | 2019-08-28 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural and Biological Basis of Small Molecule Inhibition ofEscherichia coliLpxD Acyltransferase Essential for Lipopolysaccharide Biosynthesis. Acs Infect Dis., 6, 2020
|
|
5O0J
| ADP-dependent glucokinase from Pyrococcus horikoshii | Descriptor: | 8-BROMO-ADENOSINE-5'-MONOPHOSPHATE, ADP-dependent glucokinase, alpha-D-glucopyranose | Authors: | Grudnik, P, Dubin, G. | Deposit date: | 2017-05-16 | Release date: | 2018-05-30 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | Structural basis for ADP-dependent glucokinase inhibition by 8-bromo-substituted adenosine nucleotide. J. Biol. Chem., 293, 2018
|
|
5O0Q
| |
6PWW
| Cryo-EM structure of MLL1 in complex with RbBP5 and WDR5 bound to the nucleosome | Descriptor: | DNA (146-MER), Histone H2A type 1, Histone H2B 1.1, ... | Authors: | Park, S.H, Ayoub, A, Lee, Y.T, Xu, J, Zhang, W, Zhang, B, Zhang, Y, Cianfrocco, M.A, Su, M, Dou, Y, Cho, U. | Deposit date: | 2019-07-23 | Release date: | 2019-12-18 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (4.4 Å) | Cite: | Cryo-EM structure of the human MLL1 core complex bound to the nucleosome. Nat Commun, 10, 2019
|
|
6PEE
| |
6P8R
| Structure of P. aeruginosa ATCC27853 HORMA2 | Descriptor: | HORMA domain containing protein, PHOSPHATE ION | Authors: | Ye, Q, Corbett, K.D. | Deposit date: | 2019-06-07 | Release date: | 2019-12-25 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.141 Å) | Cite: | HORMA Domain Proteins and a Trip13-like ATPase Regulate Bacterial cGAS-like Enzymes to Mediate Bacteriophage Immunity. Mol.Cell, 77, 2020
|
|
6P8W
| |