5VYQ
 
 | | Crystal structure of the N-formyltransferase Rv3404c from mycobacterium tuberculosis in complex with YDP-Qui4N and folinic acid | | Descriptor: | 1,2-ETHANEDIOL, 3-[4-(2-HYDROXYETHYL)PIPERAZIN-1-YL]PROPANE-1-SULFONIC ACID, CHLORIDE ION, ... | | Authors: | Dunsirn, M.M, Thoden, J.B, Holden, H.M. | | Deposit date: | 2017-05-26 | | Release date: | 2017-07-12 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Biochemical Investigation of Rv3404c from Mycobacterium tuberculosis.
Biochemistry, 56, 2017
|
|
3U4R
 | | Novel HCV NS5B polymerase Inhibitors: Discovery of Indole C2 Acyl sulfonamides | | Descriptor: | 1-[(2-aminopyridin-4-yl)methyl]-5-chloro-N-({3-[(methylsulfonyl)amino]phenyl}sulfonyl)-3-(2-oxo-1,2-dihydropyridin-3-yl)-1H-indole-2-carboxamide, RNA-directed RNA polymerase | | Authors: | Anilkumar, G.N, Selyutin, O, Rosenblum, S.B, Zeng, Q, Jiang, Y, Chan, T.-Y, Pu, H, Wang, L, Bennett, F, Chen, K.X, Lesburg, C.A, Duca, J.S, Gavalas, S, Huang, Y, Pinto, P, Sannagrahi, M, Velazquez, F, Venkataraman, S, Vilbubhan, B, Agrawal, S, Ferrari, E, Jiang, C.-K, Huang, H.-C, Shih, N.-Y, Njoroge, F.G, Kozlowski, J.A. | | Deposit date: | 2011-10-10 | | Release date: | 2011-12-07 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | II. Novel HCV NS5B polymerase inhibitors: Discovery of indole C2 acyl sulfonamides.
Bioorg.Med.Chem.Lett., 22, 2012
|
|
6DXX
 | | Human N-acylethanolamine-hydrolyzing acid amidase (NAAA) in complex with non-covalent benzothiazole-piperazine inhibitor ARN19702, in presence of Triton X-100 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-{2-[4-(1,1,3,3-TETRAMETHYLBUTYL)PHENOXY]ETHOXY}ETHANOL, ... | | Authors: | Gorelik, A, Gebai, A, Illes, K, Piomelli, D, Nagar, B. | | Deposit date: | 2018-07-01 | | Release date: | 2018-09-26 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Molecular mechanism of activation of the immunoregulatory amidase NAAA.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
|
|
3BF7
 | |
7DKZ
 | | Structure of plant photosystem I-light harvesting complex I supercomplex | | Descriptor: | (3R,3'R,6S)-4,5-DIDEHYDRO-5,6-DIHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, (3S,5R,6S,3'S,5'R,6'S)-5,6,5',6'-DIEPOXY-5,6,5',6'- TETRAHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, ... | | Authors: | Wang, J, Yu, L.J, Wang, W. | | Deposit date: | 2020-11-25 | | Release date: | 2021-03-31 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.393 Å) | | Cite: | Structure of plant photosystem I-light harvesting complex I supercomplex at 2.4 angstrom resolution.
J Integr Plant Biol, 63, 2021
|
|
9IFP
 | |
5LDW
 | | Structure of mammalian respiratory Complex I, class1 | | Descriptor: | Acyl carrier protein, mitochondrial, FE2/S2 (INORGANIC) CLUSTER, ... | | Authors: | Vinothkumar, K.R, Zhu, J, Hirst, J. | | Deposit date: | 2016-06-28 | | Release date: | 2016-09-07 | | Last modified: | 2024-11-20 | | Method: | ELECTRON MICROSCOPY (4.27 Å) | | Cite: | Structure of mammalian respiratory complex I.
Nature, 536, 2016
|
|
4J0E
 | |
3JQG
 | |
3TX9
 | |
3U0I
 | |
7WFE
 | | Right PSI in the cyclic electron transfer supercomplex NDH-PSI from Arabidopsis | | Descriptor: | (3R,3'R,6S)-4,5-DIDEHYDRO-5,6-DIHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, (3S,5R,6S,3'S,5'R,6'S)-5,6,5',6'-DIEPOXY-5,6,5',6'- TETRAHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, ... | | Authors: | Pan, X.W, Li, M. | | Deposit date: | 2021-12-26 | | Release date: | 2022-03-16 | | Last modified: | 2025-06-25 | | Method: | ELECTRON MICROSCOPY (3.25 Å) | | Cite: | Supramolecular assembly of chloroplast NADH dehydrogenase-like complex with photosystem I from Arabidopsis thaliana.
Mol Plant, 15, 2022
|
|
5OGI
 | | Complex of a binding protein and human adenovirus C 5 hexon | | Descriptor: | 1,2-ETHANEDIOL, 1,4-DIETHYLENE DIOXIDE, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ... | | Authors: | Schmid, M, Ernst, P, Honegger, A, Suomalainen, M, Zimmermann, M, Braun, L, Stauffer, S, Thom, C, Dreier, B, Eibauer, M, Kipar, A, Vogel, V, Greber, U.F, Medalia, O, Plueckthun, A. | | Deposit date: | 2017-07-13 | | Release date: | 2018-02-07 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Adenoviral vector with shield and adapter increases tumor specificity and escapes liver and immune control.
Nat Commun, 9, 2018
|
|
5OKB
 | | High resolution structure of native Gan1D, a putative 6-phospho-beta-galactosidase from Geobacillus stearothermophilus | | Descriptor: | GLYCEROL, IMIDAZOLE, PHOSPHATE ION, ... | | Authors: | Lansky, S, Zehavi, A, Shoham, Y, Shoham, G. | | Deposit date: | 2017-07-25 | | Release date: | 2017-10-18 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.331 Å) | | Cite: | Structural basis for enzyme bifunctionality - the case of Gan1D from Geobacillus stearothermophilus.
FEBS J., 284, 2017
|
|
5HZ7
 | |
4LC2
 | | Crystal structure of the bromodomain of human BRPF1B | | Descriptor: | 1,2-ETHANEDIOL, NITRATE ION, Peregrin | | Authors: | Tallant, C, Nunez-Alonso, G, Savitsky, P, Picaud, S, Filippakopoulos, P, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2013-06-21 | | Release date: | 2013-07-24 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Crystal structure of the bromodomain of human BRPF1B
TO BE PUBLISHED
|
|
9D2K
 | | SARS-CoV-2 Papain-like Protease (PLpro) complex with covalent inhibitor Jun13567 | | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 2-(3-{2-[4-(3,3-dimethylazetidin-1-yl)-4-oxobutanoyl]hydrazin-1-yl}-3-oxopropyl)-N-{(1R)-1-[(3P,5P)-3-(1-ethyl-1H-pyrazol-3-yl)-5-(1-methyl-1H-pyrazol-4-yl)phenyl]ethyl}benzamide, CHLORIDE ION, ... | | Authors: | Ansari, A, Tan, B, Ruiz, F.X, Arnold, E, Wang, J. | | Deposit date: | 2024-08-08 | | Release date: | 2025-03-26 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structure-Based Design of Covalent SARS-CoV-2 Papain-like Protease Inhibitors.
J.Med.Chem., 67, 2024
|
|
3WNJ
 | |
5O7F
 | | Structure of the inactive T.maritima PDE (TM1595) D80N D154N mutant with GMP and Mn2+ | | Descriptor: | 1,2-ETHANEDIOL, GUANOSINE-5'-MONOPHOSPHATE, MANGANESE (II) ION, ... | | Authors: | Witte, G, Drexler, D, Mueller, M. | | Deposit date: | 2017-06-08 | | Release date: | 2017-10-25 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural and Biophysical Analysis of the Soluble DHH/DHHA1-Type Phosphodiesterase TM1595 from Thermotoga maritima.
Structure, 25, 2017
|
|
5OEL
 | | Mycobacterium tuberculosis DprE1 mutant Y314C in complex with TCA1 | | Descriptor: | Decaprenylphosphoryl-beta-D-ribose oxidase, FLAVIN-ADENINE DINUCLEOTIDE, ethyl ({2-[(1,3-benzothiazol-2-ylcarbonyl)amino]thiophen-3-yl}carbonyl)carbamate | | Authors: | Futterer, K, Batt, S.M, Besra, G.S. | | Deposit date: | 2017-07-08 | | Release date: | 2018-05-16 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Determinants of the Inhibition of DprE1 and CYP2C9 by Antitubercular Thiophenes.
Angew. Chem. Int. Ed. Engl., 56, 2017
|
|
3DNF
 | |
3W9C
 | | Crystal structure of the electron transfer complex of cytochrome p450cam with putidaredoxin | | Descriptor: | Camphor 5-monooxygenase, FE2/S2 (INORGANIC) CLUSTER, GLYCEROL, ... | | Authors: | Kikui, Y, Hiruma, Y, Hass, M.A, Koteishi, H, Ubbink, M, Nojiri, M. | | Deposit date: | 2013-04-03 | | Release date: | 2013-08-21 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | The structure of the cytochrome p450cam-putidaredoxin complex determined by paramagnetic NMR spectroscopy and crystallography.
J.Mol.Biol., 425, 2013
|
|
5C37
 | | Structure of the beta-ketoacyl reductase domain of human fatty acid synthase bound to a spiro-imidazolone inhibitor | | Descriptor: | 6-{[(3R)-1-(cyclopropylcarbonyl)pyrrolidin-3-yl]methyl}-5-[4-(1-methyl-1H-indazol-5-yl)phenyl]-4,6-diazaspiro[2.4]hept-4-en-7-one, CHLORIDE ION, Fatty acid synthase, ... | | Authors: | Schubert, C, Milligan, C.M, Vo, K, Grasberger, B. | | Deposit date: | 2015-06-17 | | Release date: | 2016-06-22 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Design and synthesis of a series of bioavailable fatty acid synthase (FASN) KR domain inhibitors for cancer therapy.
Bioorg.Med.Chem.Lett., 28, 2018
|
|
6GCY
 | | Joint neutron and x-ray crystal structure of human carbonic anhydrase IX mimic (saccharin-sugar conjugate complex) | | Descriptor: | Carbonic anhydrase 2, ZINC ION, [1-(1,1-dioxido-3-oxo-2,3-dihydro-1,2-benzothiazol-6-yl)-1H-1,2,3-triazol-4-yl]methyl alpha-L-idopyranoside | | Authors: | Fisher, S.Z, Koruza, K. | | Deposit date: | 2018-04-20 | | Release date: | 2019-02-06 | | Last modified: | 2024-05-01 | | Method: | NEUTRON DIFFRACTION (1.3 Å), X-RAY DIFFRACTION | | Cite: | Using neutron crystallography to elucidate the basis of selective inhibition of carbonic anhydrase by saccharin and a derivative.
J. Struct. Biol., 205, 2019
|
|
4J7U
 | | Crystal structure of human sepiapterin reductase in complex with sulfathiazole | | Descriptor: | 4-amino-N-(1,3-thiazol-2-yl)benzenesulfonamide, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | | Authors: | Groenlund Pedersen, M, Pojer, F, Johnsson, K. | | Deposit date: | 2013-02-14 | | Release date: | 2013-06-05 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.44 Å) | | Cite: | Tetrahydrobiopterin biosynthesis as an off-target of sulfa drugs.
Science, 340, 2013
|
|
