7MK6
| KcsA open gate E71V mutant with sodium | Descriptor: | Fab heavy chain, Fab light chain, pH-gated potassium channel KcsA | Authors: | Rohaim, A, Li, J, Weingarth, M, Roux, B. | Deposit date: | 2021-04-21 | Release date: | 2022-03-23 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | A distinct mechanism of C-type inactivation in the Kv-like KcsA mutant E71V. Nat Commun, 13, 2022
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6PNL
| Structure of Epimerase Mth375 from the thermophilic pseudomurein-containing methanogen Methanothermobacter thermautotrophicus | Descriptor: | 1,2-ETHANEDIOL, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SULFATE ION, ... | Authors: | Carbone, V, Schofield, L.R, Sutherland-Smith, A.J, Ronimus, R.S. | Deposit date: | 2019-07-02 | Release date: | 2020-07-08 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Structure of a UDP-GALE 4-epimerase (Mth375) from the thermophilic pseudomurein-containing methanogen Methanothermobacter thermautotrophicus To Be Published
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6YKZ
| Crystal structure of YTHDC1 with compound DHU_DC1_234 | Descriptor: | SULFATE ION, YTHDC1, ~{N}-methyl-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carboxamide | Authors: | Bedi, R.K, Huang, D, Wiedmer, L, Caflisch, A. | Deposit date: | 2020-04-06 | Release date: | 2020-07-15 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Structure-based design of ligands of the m6A-RNA reader YTHDC1 Eur J Med Chem Rep, 5, 2022
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5MAB
| FoxE P3121 crystal structure of Rhodopseudomonas ferrooxidans SW2 putative iron oxidase | Descriptor: | COPPER (II) ION, FoxE, HEME C, ... | Authors: | Pereira, L, Saraiva, I.H, Oliveira, A.S, Soares, C, Gomes, R.O, Frazao, C. | Deposit date: | 2016-11-03 | Release date: | 2017-12-20 | Method: | X-RAY DIFFRACTION (2.436 Å) | Cite: | FoxE P3121 crystal structure of Rhodopseudomonas ferrooxidans SW2 putative iron oxidase To be published
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7MJT
| KcsA open gate E71V mutant with Barium | Descriptor: | BARIUM ION, Fab heavy chain, Fab light chain, ... | Authors: | Rohaim, A, Li, J, Weingarth, M, Roux, B. | Deposit date: | 2021-04-20 | Release date: | 2022-03-23 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | A distinct mechanism of C-type inactivation in the Kv-like KcsA mutant E71V. Nat Commun, 13, 2022
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3LEO
| Structure of human Leukotriene C4 synthase mutant R31Q in complex with glutathione | Descriptor: | DODECYL-BETA-D-MALTOSIDE, GLUTATHIONE, GLYCEROL, ... | Authors: | Niegowski, D, Martinez-Molina, D, Rinaldo-Matthis, A, Nordlund, P, Haeggstrom, J. | Deposit date: | 2010-01-15 | Release date: | 2010-10-27 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Arginine 104 is a key catalytic residue in leukotriene C4 synthase. J.Biol.Chem., 285, 2010
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8S93
| Crystal structure of the PH-TH/kinase complex of Bruton's tyrosine kinase | Descriptor: | 2-[3'-(hydroxymethyl)-1-methyl-5-({5-[(2S)-2-methyl-4-(oxetan-3-yl)piperazin-1-yl]pyridin-2-yl}amino)-6-oxo[1,6-dihydro[3,4'-bipyridine]]-2'-yl]-7,7-dimethyl-3,4,7,8-tetrahydro-2H-cyclopenta[4,5]pyrrolo[1,2-a]pyrazin-1(6H)-one, GLYCEROL, Tyrosine-protein kinase BTK, ... | Authors: | Lin, D.Y, Andreotti, A.H. | Deposit date: | 2023-03-27 | Release date: | 2023-08-16 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Conformational heterogeneity of the BTK PHTH domain drives multiple regulatory states. Elife, 12, 2024
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7AAF
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8G83
| Structure of NAD+ consuming protein Acinetobacter baumannii TIR domain | Descriptor: | NAD(+) hydrolase AbTIR | Authors: | Klontz, E.H, Wang, Y, Glendening, G, Carr, J, Tsibouris, T, Buddula, S, Nallar, S, Soares, A, Snyder, G.A. | Deposit date: | 2023-02-17 | Release date: | 2023-10-11 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (3.03 Å) | Cite: | The structure of NAD + consuming protein Acinetobacter baumannii TIR domain shows unique kinetics and conformations. J.Biol.Chem., 299, 2023
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3LG2
| A Ykr043C/ fructose-1,6-bisphosphate product complex following ligand soaking | Descriptor: | PHOSPHATE ION, Uncharacterized protein YKR043C | Authors: | Singer, A, Xu, X, Cui, H, Dong, A, Edwards, A.M, Joachimiak, A, Yakunin, A.F, Savchenko, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2010-01-19 | Release date: | 2010-03-09 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structure and activity of the metal-independent fructose-1,6-bisphosphatase YK23 from Saccharomyces cerevisiae. J.Biol.Chem., 285, 2010
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4QT4
| Crystal structure of Peptidyl-tRNA hydrolase from a Gram-positive bacterium, Streptococcus pyogenes at 2.19 Angstrom resolution shows the Closed Structure of the Substrate Binding Cleft | Descriptor: | Peptidyl-tRNA hydrolase | Authors: | Singh, A, Gautam, L, Sinha, M, Bhushan, A, Kaur, P, Sharma, S, Singh, T.P. | Deposit date: | 2014-07-07 | Release date: | 2014-08-06 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.19 Å) | Cite: | Crystal structure of peptidyl-tRNA hydrolase from a Gram-positive bacterium, Streptococcus pyogenes at 2.19 angstrom resolution shows the closed structure of the substrate-binding cleft. FEBS Open Bio, 4, 2014
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7AAO
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5FQQ
| Last common ancestor of Gram-negative bacteria (GNCA4) beta-lactamase class A | Descriptor: | 2-(2-METHOXYETHOXY)ETHANOL, DI(HYDROXYETHYL)ETHER, GNCA4 LACTAMASE | Authors: | Gavira, J.A, Martinez-Rodriguez, S, Risso, V.A, Sanchez-Ruiz, J.M. | Deposit date: | 2015-12-14 | Release date: | 2016-12-28 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.12 Å) | Cite: | De novo active sites for resurrected Precambrian enzymes. Nat Commun, 8, 2017
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5FYY
| Crystal structure of the catalytic domain of human JARID1B in complex with Maybridge fragment 3-pyridin-3-ylaniline (N05798a) (ligand modelled based on PANDDA event map) | Descriptor: | 1,2-ETHANEDIOL, 3-(pyridin-3-yl)aniline, CHLORIDE ION, ... | Authors: | Nowak, R, Krojer, T, Johansson, C, Gileadi, C, Kupinska, K, Strain-Damerell, C, Szykowska, A, Pearce, N, Burgess-Brown, N.A, Arrowsmith, C.H, Bountra, C, Edwards, A.M, von Delft, F, Brennan, P.E, Oppermann, U. | Deposit date: | 2016-03-10 | Release date: | 2016-03-23 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.18 Å) | Cite: | Crystal Structure of the Catalytic Domain of Human Jarid1B in Complex with N05798A To be Published
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8SE6
| NKG2D complexed with inhibitor 36 | Descriptor: | N-[(1S)-2-(dimethylamino)-2-oxo-1-{3-[3-(2,2,2-trifluoroethyl)azetidin-1-yl]phenyl}ethyl]-4'-(trifluoromethyl)[1,1'-biphenyl]-2-carboxamide, NKG2-D type II integral membrane protein, TETRAETHYLENE GLYCOL, ... | Authors: | Thompson, A.A, Grant, J.C, Karpowich, N.K, Sharma, S. | Deposit date: | 2023-04-08 | Release date: | 2023-10-11 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.36 Å) | Cite: | Development of small molecule inhibitors of natural killer group 2D receptor (NKG2D). Bioorg.Med.Chem.Lett., 96, 2023
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6SCD
| Polyester hydrolase PE-H Y250S mutant of Pseudomonas aestusnigri | Descriptor: | ACETATE ION, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Bollinger, A, Thies, S, Kobus, S, Hoeppner, A, Smits, S.H.J, Jaeger, K.-E. | Deposit date: | 2019-07-24 | Release date: | 2020-02-26 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | A Novel Polyester Hydrolase From the Marine BacteriumPseudomonas aestusnigri -Structural and Functional Insights. Front Microbiol, 11, 2020
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6Y04
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3LWL
| Structure of Klenow fragment of Taq polymerase in complex with an abasic site | Descriptor: | 2',3'-dideoxyadenosine triphosphate, ACETATE ION, DNA (5'-D(*AP*AP*AP*(3DR)P*TP*GP*CP*GP*CP*CP*GP*TP*GP*GP*TP*C)-3'), ... | Authors: | Marx, A, Diederichs, K, Obeid, S. | Deposit date: | 2010-02-24 | Release date: | 2010-05-05 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Replication through an abasic DNA lesion: structural basis for adenine selectivity Embo J., 29, 2010
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7Y72
| SARS-CoV-2 spike glycoprotein trimer complexed with Fab fragment of anti-RBD antibody E7 (focused refinement on Fab-RBD interface) | Descriptor: | Fab E7 heavy chain, Fab E7 light chain, Spike glycoprotein | Authors: | Chia, W.N, Tan, C.W, Tan, A.W.K, Young, B, Starr, T.N, Lopez, E, Fibriansah, G, Barr, J, Cheng, S, Yeoh, A.Y.Y, Yap, W.C, Lim, B.L, Ng, T.S, Sia, W.R, Zhu, F, Chen, S, Zhang, J, Greaney, A.J, Chen, M, Au, G.G, Paradkar, P, Peiris, M, Chung, A.W, Bloom, J.D, Lye, D, Lok, S.M, Wang, L.F. | Deposit date: | 2022-06-21 | Release date: | 2023-08-02 | Last modified: | 2023-08-09 | Method: | ELECTRON MICROSCOPY (4.03 Å) | Cite: | Potent pan huACE2-dependent sarbecovirus neutralizing monoclonal antibodies isolated from a BNT162b2-vaccinated SARS survivor. Sci Adv, 9, 2023
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8SE5
| NKG2D complexed with inhibitor 14 | Descriptor: | DI(HYDROXYETHYL)ETHER, N-{(1S)-2-[(1R,5S,6S)-6-(hydroxymethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxo-1-[3-(trifluoromethyl)phenyl]ethyl}-4'-(trifluoromethyl)[1,1'-biphenyl]-2-carboxamide, NKG2-D type II integral membrane protein, ... | Authors: | Thompson, A.A, Grant, J.C, Karpowich, N.K, Sharma, S. | Deposit date: | 2023-04-08 | Release date: | 2023-10-11 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.43 Å) | Cite: | Development of small molecule inhibitors of natural killer group 2D receptor (NKG2D). Bioorg.Med.Chem.Lett., 96, 2023
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3LQY
| Crystal structure of putative isochorismatase hydrolase from Oleispira antarctica | Descriptor: | GLYCEROL, putative isochorismatase hydrolase | Authors: | Goral, A, Chruszcz, M, Kagan, O, Cymborowski, M, Savchenko, A, Joachimiak, A, Minor, W, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2010-02-10 | Release date: | 2010-03-16 | Last modified: | 2022-04-13 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Crystal structure of a putative isochorismatase hydrolase from Oleispira antarctica. J.Struct.Funct.Genom., 13, 2012
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8GA7
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6PI0
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6Y3U
| Crystal structure of PPARgamma in complex with compound (R)-16 | Descriptor: | (2~{R})-2-[[6-[(2,4-dichlorophenyl)sulfonylamino]-1,3-benzothiazol-2-yl]sulfanyl]octanoic acid, Peroxisome proliferator-activated receptor gamma | Authors: | Chaikuad, A, Hanke, T, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Merk, D, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2020-02-18 | Release date: | 2020-04-22 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.62 Å) | Cite: | A Selective Modulator of Peroxisome Proliferator-Activated Receptor gamma with an Unprecedented Binding Mode. J.Med.Chem., 63, 2020
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7QZH
| SFX structure of dye-type peroxidase DtpB D152A variant in the ferric state | Descriptor: | Dyp-type peroxidase family, MAGNESIUM ION, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Lucic, M, Worrall, J.A.R, Hough, M.A, Shilova, A, Axford, D.A, Owen, R.L, Tosha, T, Sugimoto, H, Owada, S. | Deposit date: | 2022-01-31 | Release date: | 2022-12-07 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | Serial Femtosecond Crystallography Reveals the Role of Water in the One- or Two-Electron Redox Chemistry of Compound I in the Catalytic Cycle of the B-Type Dye-Decolorizing Peroxidase DtpB. Acs Catalysis, 12, 2022
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