5HBM
 
 | | Crystal Structure of a Dihydroxycoumarin RNase H Active-Site Inhibitor in Complex with HIV-1 Reverse Transcriptase | | Descriptor: | (7,8-dihydroxy-2-oxo-2H-chromen-4-yl)acetic acid, 11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-6-ONE, MANGANESE (II) ION, ... | | Authors: | Kirby, K.A, Sarafianos, S.G. | | Deposit date: | 2015-12-31 | | Release date: | 2016-02-24 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (3.043 Å) | | Cite: | Crystal Structure of a Dihydroxycoumarin RNase H Active-Site Inhibitor in Complex with HIV-1 Reverse Transcriptase
To Be Published
|
|
5D9W
 | | Dehydroascorbate reductase (OsDHAR) complexed with ASA | | Descriptor: | ASCORBIC ACID, Dehydroascorbate reductase | | Authors: | Do, H, Lee, J.H. | | Deposit date: | 2015-08-19 | | Release date: | 2016-02-03 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.6897 Å) | | Cite: | Structural understanding of the recycling of oxidized ascorbate by dehydroascorbate reductase (OsDHAR) from Oryza sativa L. japonica
Sci Rep, 6, 2016
|
|
7Q6N
 | | Structure of WrbA from Salmonella Typhimurium bound to ME0052 | | Descriptor: | 2-azanyl-4,6-bis(bromanyl)phenol, FLAVIN MONONUCLEOTIDE, NAD(P)H dehydrogenase (quinone), ... | | Authors: | Gabrielsen, M, Beckham, K.S.H, Roe, A.J. | | Deposit date: | 2021-11-08 | | Release date: | 2022-08-03 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.33 Å) | | Cite: | Crystal structures of WrbA, a spurious target of the salicylidene acylhydrazide inhibitors of type III secretion in Gram-negative pathogens, and verification of improved specificity of next-generation compounds.
Microbiology (Reading, Engl.), 168, 2022
|
|
4RW7
 | | Crystal Structure of HIV-1 Reverse Transcriptase (K103N, Y181C) variant in complex with (E)-3-(3-chloro-5-(2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)phenoxy)phenyl)acrylonitrile (JLJ532), a non-nucleoside inhibitor | | Descriptor: | (2E)-3-(3-chloro-5-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}phenyl)prop-2-enenitrile, Reverse transcriptase/ribonuclease H, p51 subunit, ... | | Authors: | Frey, K.M, Anderson, K.S. | | Deposit date: | 2014-12-01 | | Release date: | 2015-04-29 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (3.014 Å) | | Cite: | Structure-Based Evaluation of Non-nucleoside Inhibitors with Improved Potency and Solubility That Target HIV Reverse Transcriptase Variants.
J.Med.Chem., 58, 2015
|
|
4TNH
 | | RT XFEL structure of Photosystem II in the dark state at 4.9 A resolution | | Descriptor: | 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ... | | Authors: | Kern, J, Tran, R, Alonso-Mori, R, Koroidov, S, Echols, N, Hattne, J, Ibrahim, M, Gul, S, Laksmono, H, Sierra, R.G, Gildea, R.J, Han, G, Hellmich, J, Lassalle-Kaiser, B, Chatterjee, R, Brewster, A, Stan, C.A, Gloeckner, C, Lampe, A, DiFiore, D, Milathianaki, D, Fry, A.R, Seibert, M.M, Koglin, J.E, Gallo, E, Uhlig, J, Sokaras, D, Weng, T.-C, Zwart, P.H, Skinner, D.E, Bogan, M.J, Messerschmidt, M, Glatzel, P, Williams, G.J, Boutet, S, Adams, P.D, Zouni, A, Messinger, J, Sauter, N.K, Bergmann, U, Yano, J, Yachandra, V.K. | | Deposit date: | 2014-06-04 | | Release date: | 2014-07-09 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (4.900007 Å) | | Cite: | Taking snapshots of photosynthetic water oxidation using femtosecond X-ray diffraction and spectroscopy.
Nat Commun, 5, 2014
|
|
7QBA
 | | CryoEM structure of the ABC transporter NosDFY complexed with nitrous oxide reductase NosZ | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, CALCIUM ION, MAGNESIUM ION, ... | | Authors: | Zipfel, S, Mueller, C, Topitsch, A, Lutz, M, Zhang, L, Einsle, O. | | Deposit date: | 2021-11-18 | | Release date: | 2022-08-03 | | Last modified: | 2024-07-17 | | Method: | ELECTRON MICROSCOPY (3.78 Å) | | Cite: | Molecular interplay of an assembly machinery for nitrous oxide reductase.
Nature, 608, 2022
|
|
7JSZ
 | |
4TQB
 | | The co-complex structure of the translation initiation factor eIF4E with the inhibitor 4EGI-1 reveals an allosteric mechanism for dissociating eIF4G | | Descriptor: | (2E)-2-{2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]hydrazinylidene}-3-(2-nitrophenyl)propanoic acid, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 7N-METHYL-8-HYDROGUANOSINE-5'-TRIPHOSPHATE, ... | | Authors: | Papadopoulos, E, Jenni, S, Wagner, G. | | Deposit date: | 2014-06-10 | | Release date: | 2014-08-13 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.59 Å) | | Cite: | Structure of the eukaryotic translation initiation factor eIF4E in complex with 4EGI-1 reveals an allosteric mechanism for dissociating eIF4G.
Proc.Natl.Acad.Sci.USA, 111, 2014
|
|
7Q6M
 | | Structure of WrbA from Yersinia pseudotuberculosis in P1 | | Descriptor: | CHLORIDE ION, NAD(P)H dehydrogenase (quinone) | | Authors: | Gabrielsen, M, Beckham, K.S.H, Roe, A.J. | | Deposit date: | 2021-11-08 | | Release date: | 2022-08-03 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.04 Å) | | Cite: | Crystal structures of WrbA, a spurious target of the salicylidene acylhydrazide inhibitors of type III secretion in Gram-negative pathogens, and verification of improved specificity of next-generation compounds.
Microbiology (Reading, Engl.), 168, 2022
|
|
3NB3
 | | The host outer membrane proteins OmpA and OmpC are packed at specific sites in the Shigella phage Sf6 virion as structural components | | Descriptor: | Outer membrane protein A, Outer membrane protein C | | Authors: | Zhao, H, Sequeira, R.D, Galeva, N.A, Tang, L. | | Deposit date: | 2010-06-02 | | Release date: | 2011-02-16 | | Last modified: | 2024-02-21 | | Method: | ELECTRON MICROSCOPY (19 Å) | | Cite: | The host outer membrane proteins OmpA and OmpC are associated with the Shigella phage Sf6 virion.
Virology, 409, 2011
|
|
7QVH
 | |
6ZFM
 | | Structure of alpha-Cobratoxin with a peptide inhibitor | | Descriptor: | 3-[2-[2-[2-[2-[2-(2-azanylethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propan-1-ol, Alpha-cobratoxin, PENTAETHYLENE GLYCOL, ... | | Authors: | Kiontke, S, Kummel, D. | | Deposit date: | 2020-06-17 | | Release date: | 2020-12-02 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Peptide Inhibitors of the alpha-Cobratoxin-Nicotinic Acetylcholine Receptor Interaction.
J.Med.Chem., 63, 2020
|
|
6ZFX
 | | hSARM1 GraFix-ed | | Descriptor: | (~{E})-4-methylnon-4-enedial, NAD(+) hydrolase SARM1 | | Authors: | Sporny, M, Guez-Haddad, J, Khazma, T, Yaron, A, Dessau, M, Mim, C, Isupov, M.N, Zalk, R, Hons, M, Opatowsky, Y. | | Deposit date: | 2020-06-18 | | Release date: | 2020-11-18 | | Last modified: | 2022-11-09 | | Method: | ELECTRON MICROSCOPY (2.88 Å) | | Cite: | Structural basis for SARM1 inhibition and activation under energetic stress.
Elife, 9, 2020
|
|
5MDW
 | | Structure of ArfA(A18T) and RF2 bound to the 70S ribosome (pre-accommodated state) | | Descriptor: | 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ... | | Authors: | James, N.R, Brown, A, Gordiyenko, Y, Ramakrishnan, V. | | Deposit date: | 2016-11-13 | | Release date: | 2016-12-14 | | Last modified: | 2024-04-24 | | Method: | ELECTRON MICROSCOPY (3.06 Å) | | Cite: | Translational termination without a stop codon.
Science, 354, 2016
|
|
7Q5C
 | | Crystal structure of OmpG in space group 96 | | Descriptor: | Outer membrane porin G, SODIUM ION, TETRAETHYLENE GLYCOL, ... | | Authors: | Nguyen, T.T.M, Khan, A.R, Barringer, R, McManus, J.J, Race, P.R. | | Deposit date: | 2021-11-03 | | Release date: | 2022-11-16 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.717 Å) | | Cite: | Experimental phase diagrams to optimise OmpG
To Be Published
|
|
5MHN
 | |
5CZL
 | | Crystal structure of a novel GH8 endo-beta-1,4-glucanase from an Achatina fulica gut metagenomic library | | Descriptor: | Glucanase, PHOSPHATE ION | | Authors: | Scapin, S.M.N, Souza, F.H.M, Zanphorlin, L.M, Almeida, T.S, Sade, Y.B, Cardoso, A.M, Pinheiro, G.L, Murakami, M.T. | | Deposit date: | 2015-07-31 | | Release date: | 2016-08-03 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.391 Å) | | Cite: | Crystal structure of a novel GH8 endo-beta-1,4-glucanase from an Achatina fulica gut metagenomic library
To Be Published
|
|
3N5W
 | | Structure of neuronal nitric oxide synthase heme domain in complex with 6,6'-(2,2'-(pyridine-3,5-diyl)bis(ethane-2,1-diyl))bis(4-methylpyridin-2-amine) | | Descriptor: | 6,6'-(pyridine-3,5-diyldiethane-2,1-diyl)bis(4-methylpyridin-2-amine), ACETATE ION, CHLORIDE ION, ... | | Authors: | Li, H, Delker, S.L, Poulos, T.L. | | Deposit date: | 2010-05-25 | | Release date: | 2011-02-09 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.73 Å) | | Cite: | Role of zinc in isoform-selective inhibitor binding to neuronal nitric oxide synthase .
Biochemistry, 49, 2010
|
|
4S2H
 | | Joint X-ray/neutron structure of Trichoderma reesei xylanase II at pH 8.5 | | Descriptor: | Endo-1,4-beta-xylanase 2, IODIDE ION | | Authors: | Kovalevsky, A, Wan, Q, Langan, P. | | Deposit date: | 2015-01-20 | | Release date: | 2015-09-23 | | Last modified: | 2019-12-25 | | Method: | NEUTRON DIFFRACTION (1.6 Å), X-RAY DIFFRACTION | | Cite: | Direct determination of protonation states and visualization of hydrogen bonding in a glycoside hydrolase with neutron crystallography.
Proc.Natl.Acad.Sci.USA, 112, 2015
|
|
3NCE
 | | A mutant human Prolactin receptor antagonist H27A in complex with the mutant extracellular domain H188A of the human prolactin receptor | | Descriptor: | CARBONATE ION, CHLORIDE ION, Prolactin, ... | | Authors: | Kulkarni, M.V, Tettamanzi, M.C, Murphy, J.W, Keeler, C, Myszka, D.G, Chayen, N.E, Lolis, E.J, Hodsdon, M.E. | | Deposit date: | 2010-06-04 | | Release date: | 2010-09-29 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Two Independent Histidines, One in Human Prolactin and One in Its Receptor, Are Critical for pH-dependent Receptor Recognition and Activation.
J.Biol.Chem., 285, 2010
|
|
6ZJE
 | | Crystal structure of human adenylate kinase 3, AK3, in complex with inhibitor Ap5A | | Descriptor: | BIS(ADENOSINE)-5'-PENTAPHOSPHATE, CHLORIDE ION, GTP:AMP phosphotransferase AK3, ... | | Authors: | Grundstrom, C, Rogne, P, Wolf-Watz, M, Sauer-Eriksson, A.E. | | Deposit date: | 2020-06-28 | | Release date: | 2020-09-16 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.48 Å) | | Cite: | Structural Basis for GTP versus ATP Selectivity in the NMP Kinase AK3.
Biochemistry, 59, 2020
|
|
4RKU
 | | Crystal structure of plant Photosystem I at 3 Angstrom resolution | | Descriptor: | (1R,3R)-6-{(3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1S,4R,6R)-4-HYDROXY-2,2,6-TRIMETHYL-7-OXABICYCLO[4.1.0]HEPT-1-YL]-3,7,12,16-TETRAMETHYLOCTADECA-1,3,5,7,9,11,13,15,17-NONAENYLIDENE}-1,5,5-TRIMETHYLCYCLOHEXANE-1,3-DIOL, (3R,3'R,6S)-4,5-DIDEHYDRO-5,6-DIHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, ... | | Authors: | Mazor, Y, Borovikova, A, Greenberg, I, Nelson, N. | | Deposit date: | 2014-10-14 | | Release date: | 2015-02-04 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Crystal structure of plant Photosystem I at 3.1 Angstrom resolution
To be Published
|
|
3N6A
 | | Structure of endothelial nitric oxide synthase N368D/V106M double mutant heme domain complexed with 4-(2-(5-(2-(6-amino-4-methylpyridin-2-yl)ethyl)pyridin-3-yl)ethyl)-6-methylpyridin-2-amine | | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, 6-(2-{5-[2-(2-amino-6-methylpyridin-4-yl)ethyl]pyridin-3-yl}ethyl)-4-methylpyridin-2-amine, ACETATE ION, ... | | Authors: | Delker, S.L, Li, H, Poulos, T.L. | | Deposit date: | 2010-05-25 | | Release date: | 2011-02-09 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.49 Å) | | Cite: | Role of zinc in isoform-selective inhibitor binding to neuronal nitric oxide synthase .
Biochemistry, 49, 2010
|
|
6ZJY
 | | Respiratory complex I from Thermus thermophilus, NAD+ dataset, minor state | | Descriptor: | FE2/S2 (INORGANIC) CLUSTER, IRON/SULFUR CLUSTER, NADH-quinone oxidoreductase subunit 1, ... | | Authors: | Kaszuba, K, Tambalo, M, Gallagher, G.T, Sazanov, L.A. | | Deposit date: | 2020-06-29 | | Release date: | 2020-09-02 | | Last modified: | 2024-05-01 | | Method: | ELECTRON MICROSCOPY (5.5 Å) | | Cite: | Key role of quinone in the mechanism of respiratory complex I.
Nat Commun, 11, 2020
|
|
5L3Y
 | | Designed Artificial Cupredoxins | | Descriptor: | Streptavidin, [CuII(biot-et-dpea)]2+ | | Authors: | Mann, S.I, Heinisch, T, Weitz, A.C, Hendrich, M.R, Ward, T.R, Borovik, A.S. | | Deposit date: | 2016-05-24 | | Release date: | 2016-07-20 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Modular Artificial Cupredoxins.
J.Am.Chem.Soc., 138, 2016
|
|
