4YV8
 
 | | Crystal structure of cathepsin K bound to the covalent inhibitor lichostatinal | | Descriptor: | Cathepsin K, Lichostatinal, SULFATE ION | | Authors: | Aguda, A.H, Nguyen, N.T, Bromme, D, Brayer, G.D. | | Deposit date: | 2015-03-19 | | Release date: | 2016-05-04 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Affinity Crystallography: A New Approach to Extracting High-Affinity Enzyme Inhibitors from Natural Extracts.
J.Nat.Prod., 79, 2016
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6REN
 | | Crystal structure of 3fPizza6-SH with Zn2+ | | Descriptor: | 3fPizza6-SH, GLYCEROL, ISOPROPYL ALCOHOL, ... | | Authors: | Noguchi, H, Clarke, D.E, Gryspeerdt, J.L, Feyter, S.D, Voet, A.R.D. | | Deposit date: | 2019-04-12 | | Release date: | 2019-07-31 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Artificial beta-propeller protein-based hydrolases.
Chem.Commun.(Camb.), 55, 2019
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6RCD
 | | Octamer C-Domain P140 Mycoplasma genitalium. | | Descriptor: | MgPa adhesin | | Authors: | Vizarraga, D, Aparicio, D, Perez, R, Illanes, R, Fita, I. | | Deposit date: | 2019-04-11 | | Release date: | 2020-11-04 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Alternative conformation of the C-domain of the P140 protein from Mycoplasma genitalium.
Acta Crystallogr.,Sect.F, 76, 2020
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3HOT
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4Y6W
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5K89
 | | Crystal Structure of Human Calcium-Bound S100A1 | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, Protein S100-A1 | | Authors: | Melville, Z, Aligholizadeh, E, McKnight, L.E, Weber, D, Pozharski, E, Weber, D.J. | | Deposit date: | 2016-05-27 | | Release date: | 2017-04-12 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.249 Å) | | Cite: | X-ray crystal structure of human calcium-bound S100A1.
Acta Crystallogr F Struct Biol Commun, 73, 2017
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6ZRN
 | | Crystal structure of the RLIP76 Ral binding domain mutant (E427S/L429M/Q433L/K440R) in complex with RalB-GMPPNP | | Descriptor: | GLYCEROL, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ... | | Authors: | Hurd, C, Brear, P, Revell, J, Ross, S, Mott, H, Owen, D. | | Deposit date: | 2020-07-13 | | Release date: | 2020-11-25 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.482 Å) | | Cite: | Affinity maturation of the RLIP76 Ral binding domain to inform the design of stapled peptides targeting the Ral GTPases.
J.Biol.Chem., 296, 2020
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6NIF
 | | crystal structure of human REV7-RAN complex | | Descriptor: | hREV7, GTP-binding nuclear protein Ran, hREV3 fusion | | Authors: | Wang, X, Pertz, L, Hua, D.P, Zhang, T.Q, Listovsky, T, Xie, W. | | Deposit date: | 2018-12-27 | | Release date: | 2019-09-11 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.002 Å) | | Cite: | REV7 has a dynamic adaptor region to accommodate small GTPase RAN/ShigellaIpaB ligands, and its activity is regulated by the RanGTP/GDP switch.
J.Biol.Chem., 294, 2019
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8TI0
 | | ATP-1 state of Bcs1 (unsymmetrized) | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Mitochondrial chaperone BCS1 | | Authors: | Zhan, J, Xia, D. | | Deposit date: | 2023-07-18 | | Release date: | 2024-06-05 | | Last modified: | 2024-06-12 | | Method: | ELECTRON MICROSCOPY (3.77 Å) | | Cite: | Conformations of Bcs1L undergoing ATP hydrolysis suggest a concerted translocation mechanism for folded iron-sulfur protein substrate.
Nat Commun, 15, 2024
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6WVT
 | | Structural basis of alphaE-catenin - F-actin catch bond behavior | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle, ... | | Authors: | Xu, X.P, Pokutta, S, Torres, M, Swift, M.F, Hanein, D, Volkmann, N, Weis, W.I. | | Deposit date: | 2020-05-06 | | Release date: | 2020-10-07 | | Method: | ELECTRON MICROSCOPY (3.56 Å) | | Cite: | Structural basis of alpha E-catenin-F-actin catch bond behavior.
Elife, 9, 2020
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7A4U
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6VJV
 | | Crystal structure of the Prochlorococcus phage (myovirus P-SSM2) ferredoxin at 1.6 Angstroms | | Descriptor: | ACETATE ION, FE2/S2 (INORGANIC) CLUSTER, Ferredoxin, ... | | Authors: | Olmos Jr, J.L, Campbell, I.J, Miller, M.D, Xu, W, Kahanda, D, Atkinson, J.T, Sparks, N, Bennett, G.N, Silberg, J.J, Phillips Jr, G.N. | | Deposit date: | 2020-01-17 | | Release date: | 2020-02-19 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.59 Å) | | Cite: | Prochlorococcusphage ferredoxin: structural characterization and electron transfer to cyanobacterial sulfite reductases.
J.Biol.Chem., 295, 2020
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6NS6
 | | Crystal structure of fungal lipoxygenase from Fusarium graminearum. P21 crystal form. | | Descriptor: | FE (II) ION, lipoxygenase | | Authors: | Pakhomova, S, Boeglin, W.E, Neau, D.B, Bartlett, S.G, Brash, A.R, Newcomer, M.E. | | Deposit date: | 2019-01-24 | | Release date: | 2019-03-27 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | An ensemble of lipoxygenase structures reveals novel conformations of the Fe coordination sphere.
Protein Sci., 28, 2019
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5EIV
 | | Crystal structure of complex of osteoclast-associated immunoglobulin-like receptor (OSCAR) and a synthetic collagen consensus peptide | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, CHLORIDE ION, ... | | Authors: | Zhou, L, Blaszczyk, M, Chirgadze, D, Bihan, D, Farndale, R.W. | | Deposit date: | 2015-10-30 | | Release date: | 2015-11-25 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.414 Å) | | Cite: | Structural basis for collagen recognition by the immune receptor OSCAR.
Blood, 127, 2016
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4Y90
 | | Crystal structure of Triosephosphate Isomerase from Deinococcus radiodurans | | Descriptor: | CALCIUM ION, GLYCEROL, SODIUM ION, ... | | Authors: | Romero-Romero, S, Rodriguez-Romero, A, Fernadez-Velasco, D.A. | | Deposit date: | 2015-02-16 | | Release date: | 2015-07-15 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Reversibility and two state behaviour in the thermal unfolding of oligomeric TIM barrel proteins.
Phys Chem Chem Phys, 17, 2015
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6BNJ
 | | Human hypoxanthine guanine phosphoribosyltransferase in complex with [3R,4R]-4-guanin-9-yl-3-((R)-2-hydroxy-2-phosphonoethyl)oxy-1-N-(phosphonopropionyl)pyrrolidine | | Descriptor: | (3-{(3R,4R)-3-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-4-[(2R)-2-hydroxy-2-phosphonoethoxy]pyrrolidin-1-yl}-3-oxopropy l)phosphonic acid, Hypoxanthine-guanine phosphoribosyltransferase, MAGNESIUM ION | | Authors: | Keough, D.T, Rejman, D, Guddat, L.W. | | Deposit date: | 2017-11-16 | | Release date: | 2017-12-06 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.909 Å) | | Cite: | Design of Plasmodium vivax Hypoxanthine-Guanine Phosphoribosyltransferase Inhibitors as Potential Antimalarial Therapeutics.
ACS Chem. Biol., 13, 2018
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7NT1
 | | Crystal structure of SARS CoV2 main protease in complex with FSP007 | | Descriptor: | 3C-like proteinase, DIMETHYL SULFOXIDE, [(2R)-1-[2-(1H-indol-3-yl)ethylamino]-1-oxidanylidene-butan-2-yl] prop-2-enoate | | Authors: | Oerlemans, R, Eris, D, Wang, M, Sharpe, M, Domling, A, Groves, M.R. | | Deposit date: | 2021-03-08 | | Release date: | 2021-06-16 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | Combining High-Throughput Synthesis and High-Throughput Protein Crystallography for Accelerated Hit Identification.
Angew.Chem.Int.Ed.Engl., 60, 2021
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6VOF
 | | Chloroplast ATP synthase (O2, CF1FO) | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP synthase delta chain, ... | | Authors: | Yang, J.-H, Williams, D, Kandiah, E, Fromme, P, Chiu, P.-L. | | Deposit date: | 2020-01-30 | | Release date: | 2020-09-09 | | Last modified: | 2020-09-16 | | Method: | ELECTRON MICROSCOPY (4.51 Å) | | Cite: | Structural basis of redox modulation on chloroplast ATP synthase.
Commun Biol, 3, 2020
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8I2E
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6SIH
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7NT2
 | | Crystal structure of SARS CoV2 main protease in complex with FSP006 | | Descriptor: | 3C-like proteinase, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Oerlemans, R, Eris, D, Wang, M, Sharpe, M, Domling, A, Groves, M.R. | | Deposit date: | 2021-03-08 | | Release date: | 2021-06-16 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.145 Å) | | Cite: | Combining High-Throughput Synthesis and High-Throughput Protein Crystallography for Accelerated Hit Identification.
Angew.Chem.Int.Ed.Engl., 60, 2021
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8UE2
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5M3A
 | | Crystal structure of BRD4 BROMODOMAIN 1 IN COMPLEX WITH LIGAND 2 | | Descriptor: | 1,2-ETHANEDIOL, 3-methyl-6-(1-methyl-5-phenoxy-pyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine, Bromodomain-containing protein 4 | | Authors: | Kessler, D, Mayer, M, Engelhardt, H, Wolkerstorfer, B, Geist, L. | | Deposit date: | 2016-10-14 | | Release date: | 2017-09-27 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Direct NMR Probing of Hydration Shells of Protein Ligand Interfaces and Its Application to Drug Design.
J. Med. Chem., 60, 2017
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6SL5
 | | Dunaliella Photosystem 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-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, ... | | Authors: | Nelson, N, Caspy, I, Malavath, T, Klaiman, D, Shkolinsky, Y. | | Deposit date: | 2019-08-18 | | Release date: | 2020-06-24 | | Last modified: | 2024-05-22 | | Method: | ELECTRON MICROSCOPY (2.84 Å) | | Cite: | Structure and energy transfer pathways of the Dunaliella Salina photosystem I supercomplex.
Biochim Biophys Acta Bioenerg, 1861, 2020
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7NT3
 | | Crystal structure of SARS CoV2 main protease in complex with FSCU015 | | Descriptor: | 3C-like proteinase, DIMETHYL SULFOXIDE, ~{N}-[(1~{S})-2-(1,3-benzodioxol-5-ylmethylamino)-1-(3-hydroxyphenyl)-2-oxidanylidene-ethyl]-~{N}-propyl-prop-2-enamide | | Authors: | Oerlemans, R, Eris, D, Wang, M, Sharpe, M, Domling, A, Groves, M.R. | | Deposit date: | 2021-03-08 | | Release date: | 2021-06-16 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.325 Å) | | Cite: | Combining High-Throughput Synthesis and High-Throughput Protein Crystallography for Accelerated Hit Identification.
Angew.Chem.Int.Ed.Engl., 60, 2021
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