1X7X
| Crystal structure of the human mitochondrial branched-chain alpha-ketoacid dehydrogenase | Descriptor: | 2-oxoisovalerate dehydrogenase alpha subunit, 2-oxoisovalerate dehydrogenase beta subunit, CHLORIDE ION, ... | Authors: | Wynn, R.M, Kato, M, Machius, M, Chuang, J.L, Li, J, Tomchick, D.R, Chuang, D.T. | Deposit date: | 2004-08-16 | Release date: | 2004-11-23 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Molecular mechanism for regulation of the human mitochondrial branched-chain alpha-ketoacid dehydrogenase complex by phosphorylation Structure, 12, 2004
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3SVU
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7VHV
| Crystal structure of S. aureus D-alanine alanyl carrier protein ligase | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, D-alanine--D-alanyl carrier protein ligase, MAGNESIUM ION | Authors: | Lee, B.J, Lee, I.-G, Im, H.G, Yoon, H.J. | Deposit date: | 2021-09-23 | Release date: | 2022-04-13 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Structural and functional analysis of the D-alanyl carrier protein ligase DltA from Staphylococcus aureus Mu50. Acta Crystallogr D Struct Biol, 78, 2022
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3SVO
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3SVS
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3SVN
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4JNC
| Soluble Epoxide Hydrolase complexed with a carboxamide inhibitor | Descriptor: | 1-[4-methyl-6-(methylamino)-1,3,5-triazin-2-yl]-N-[2-(trifluoromethyl)benzyl]piperidine-4-carboxamide, Bifunctional epoxide hydrolase 2 | Authors: | Shewchuk, L.M. | Deposit date: | 2013-03-15 | Release date: | 2013-06-05 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Discovery of 1-(1,3,5-triazin-2-yl)piperidine-4-carboxamides as inhibitors of soluble epoxide hydrolase. Bioorg.Med.Chem.Lett., 23, 2013
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3TJH
| 42F3-p3A1/H2-Ld complex | Descriptor: | 42F3 alpha, 42F3 beta, H2-Ld SBM2, ... | Authors: | Adams, J.J, Kruse, A, Kranz, D.M, Garcia, K.C. | Deposit date: | 2011-08-24 | Release date: | 2011-12-07 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.12 Å) | Cite: | T cell receptor signaling is limited by docking geometry to peptide-major histocompatibility complex. Immunity, 35, 2011
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3TPU
| 42F3 p5E8/H2-Ld complex | Descriptor: | 1,2-ETHANEDIOL, 42F3 alpha, 42F3 beta, ... | Authors: | Adams, J.J, Kranz, D.M, Garcia, K.C. | Deposit date: | 2011-09-08 | Release date: | 2011-12-07 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | T cell receptor signaling is limited by docking geometry to peptide-major histocompatibility complex. Immunity, 35, 2011
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3SVR
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2I8E
| Structure of SSO1404, a predicted DNA repair-associated protein from Sulfolobus solfataricus P2 | Descriptor: | Hypothetical protein, IODIDE ION | Authors: | Wang, S, Zimmerman, M.D, Kudritska, M, Chruszcz, M, Savchenko, A, Edwards, A, Joachimiak, A, Minor, W, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2006-09-01 | Release date: | 2006-09-26 | Last modified: | 2022-04-13 | Method: | X-RAY DIFFRACTION (1.59 Å) | Cite: | A novel family of sequence-specific endoribonucleases associated with the clustered regularly interspaced short palindromic repeats. J.Biol.Chem., 283, 2008
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3TFK
| 42F3-p4B10/H2-Ld | Descriptor: | 42F3 alpha, 42F3 beta, H2-Ld SBM2, ... | Authors: | Adams, J.J, Kranz, D.M, Garcia, K.C. | Deposit date: | 2011-08-15 | Release date: | 2011-12-07 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.753 Å) | Cite: | T cell receptor signaling is limited by docking geometry to peptide-major histocompatibility complex. Immunity, 35, 2011
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3TF7
| 42F3 QL9/H2-Ld complex | Descriptor: | 42F3 Mut7 scFv (42F3 alpha chain, linker, 42F3 beta chain), ... | Authors: | Adams, J.J, Kranz, D.M, Garcia, K.C. | Deposit date: | 2011-08-15 | Release date: | 2011-12-07 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | T cell receptor signaling is limited by docking geometry to peptide-major histocompatibility complex. Immunity, 35, 2011
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7D2L
| Crystal structure of the Cas12i1 R-loop complex before target DNA cleavage | Descriptor: | 12i1-D647A, CITRIC ACID, DNA (26-MER), ... | Authors: | Zhang, B, Luo, D.Y, Li, Y, OuYang, S.Y. | Deposit date: | 2020-09-16 | Release date: | 2021-05-19 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Mechanistic insights into the R-loop formation and cleavage in CRISPR-Cas12i1. Nat Commun, 12, 2021
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7D8C
| Crystal structure of the Cas12i1-crRNA binary complex | Descriptor: | 12i1, CITRIC ACID, RNA (3-MER), ... | Authors: | Zhang, B, Luo, D.Y, Li, Y, OuYang, S.Y. | Deposit date: | 2020-10-07 | Release date: | 2021-05-19 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3.6 Å) | Cite: | Mechanistic insights into the R-loop formation and cleavage in CRISPR-Cas12i1. Nat Commun, 12, 2021
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4A5W
| Crystal structure of C5b6 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, COMPLEMENT C5, ... | Authors: | Hadders, M.A, Bubeck, D, Forneris, F, Pangburn, M, Llorca, O, Lea, S.M, Gros, P. | Deposit date: | 2011-10-28 | Release date: | 2012-03-14 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Assembly and Regulation of the Membrane Attack Complex Based on Structures of C5B6 and Sc5B9. Cell Rep., 1, 2012
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7F72
| Rv3094c in complex with FAD and ETH. | Descriptor: | 2-ethylpyridine-4-carboximidothioic acid, FLAVIN MONONUCLEOTIDE, Rv3094c | Authors: | Wang, Z.X, Ouyang, S.Y. | Deposit date: | 2021-06-27 | Release date: | 2022-07-13 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.64 Å) | Cite: | Omics analysis of Mycobacterium tuberculosis isolates uncovers Rv3094c, an ethionamide metabolism-associated gene. Commun Biol, 6, 2023
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7EU9
| Crystal structure of the selenomethionine(SeMet)-derived Cas12i1 R-loop complex before target DNA cleavage | Descriptor: | CITRIC ACID, Cas12i1 D647A mutant, DNA (24-MER), ... | Authors: | Zhang, B, Luo, D.Y, Li, Y, OuYang, S.Y. | Deposit date: | 2021-05-16 | Release date: | 2021-05-26 | Last modified: | 2021-06-23 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Mechanistic insights into the R-loop formation and cleavage in CRISPR-Cas12i1. Nat Commun, 12, 2021
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2PH6
| Crystal Structure of Human Beta Secretase Complexed with inhibitor | Descriptor: | 3-({[(1R)-1-(4-FLUOROPHENYL)ETHYL]AMINO}CARBONYL)-5-[METHYL(METHYLSULFONYL)AMINO]BENZYL ALPHA-METHYL-D-PHENYLALANINATE, Beta-secretase 1, SULFATE ION | Authors: | Munshi, S. | Deposit date: | 2007-04-10 | Release date: | 2007-06-05 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Design, synthesis, and SAR of macrocyclic tertiary carbinamine BACE-1 inhibitors. Bioorg.Med.Chem.Lett., 17, 2007
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7FAY
| Crystal structure of SARS-CoV-2 main protease in complex with (R)-1a | Descriptor: | (2~{R})-~{N}-[(1~{R})-2-(~{tert}-butylamino)-2-oxidanylidene-1-pyridin-3-yl-ethyl]-~{N}-(4-~{tert}-butylphenyl)-2-oxidanyl-propanamide, 3C-like proteinase | Authors: | Zeng, R, Quan, B.X, Liu, X.L, Lei, J. | Deposit date: | 2021-07-08 | Release date: | 2021-07-21 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | An orally available M pro inhibitor is effective against wild-type SARS-CoV-2 and variants including Omicron. Nat Microbiol, 7, 2022
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7FAZ
| Crystal structure of the SARS-CoV-2 main protease in complex with Y180 | Descriptor: | (2~{R})-~{N}-dibenzofuran-3-yl-~{N}-[(1~{R})-2-[[(1~{S})-1-(4-fluorophenyl)ethyl]amino]-2-oxidanylidene-1-pyridin-3-yl-ethyl]-2-oxidanyl-propanamide, 3C-like proteinase, SODIUM ION | Authors: | Zeng, R, Quan, B.X, Liu, X.L, Lei, J. | Deposit date: | 2021-07-08 | Release date: | 2021-07-21 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | An orally available M pro inhibitor is effective against wild-type SARS-CoV-2 and variants including Omicron. Nat Microbiol, 7, 2022
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7CNB
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7CAJ
| Crystal structure of SETDB1 Tudor domain in complexed with Compound 2. | Descriptor: | 3-methyl-2-[[(3R,5R)-1-methyl-5-phenyl-piperidin-3-yl]amino]-5H-pyrrolo[3,2-d]pyrimidin-4-one, Histone-lysine N-methyltransferase SETDB1 | Authors: | Guo, Y.P, Liang, X, Xin, M, Luyi, H, Chengyong, W, Yang, S.Y. | Deposit date: | 2020-06-08 | Release date: | 2021-04-07 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.198 Å) | Cite: | Structure-Guided Discovery of a Potent and Selective Cell-Active Inhibitor of SETDB1 Tudor Domain. Angew.Chem.Int.Ed.Engl., 60, 2021
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7C5Z
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7D3J
| Crystal structure of the Cas12i1 R-loop complex after target DNA cleavage | Descriptor: | 12i1-WT, CITRIC ACID, DNA (23-MER), ... | Authors: | Zhang, B, Luo, D.Y, Li, Y, OuYang, S.Y. | Deposit date: | 2020-09-19 | Release date: | 2021-05-19 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Mechanistic insights into the R-loop formation and cleavage in CRISPR-Cas12i1. Nat Commun, 12, 2021
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