1BTW
 
 | |
9IOQ
 | | Crystal structure of CapE bound cUA | | 分子名称: | 3'3'-cUMP-AMP, cUMP-AMP-activated phospholipase | | 著者 | Gao, A, Wang, J.G. | | 登録日 | 2024-07-09 | | 公開日 | 2025-05-21 | | 最終更新日 | 2025-07-23 | | 実験手法 | X-RAY DIFFRACTION (1.999 Å) | | 主引用文献 | Cyclic-dinucleotide-induced filamentous assembly of phospholipases governs broad CBASS immunity.
Cell, 188, 2025
|
|
7FAZ
 | | Crystal structure of the SARS-CoV-2 main protease in complex with Y180 | | 分子名称: | (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 | | 著者 | Zeng, R, Quan, B.X, Liu, X.L, Lei, J. | | 登録日 | 2021-07-08 | | 公開日 | 2021-07-21 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | An orally available M pro inhibitor is effective against wild-type SARS-CoV-2 and variants including Omicron.
Nat Microbiol, 7, 2022
|
|
3O0D
 | | Crystal structure of Lip2 lipase from Yarrowia lipolytica at 1.7 A resolution | | 分子名称: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Bordes, F, Tranier, S, Mourey, L, Marty, A. | | 登録日 | 2010-07-19 | | 公開日 | 2010-11-24 | | 最終更新日 | 2024-11-20 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Exploring the conformational states and rearrangements of Yarrowia lipolytica Lipase.
Biophys.J., 99, 2010
|
|
4NTW
 | | Structure of acid-sensing ion channel in complex with snake toxin | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Acid-sensing ion channel 1, Basic phospholipase A2 homolog Tx-beta, ... | | 著者 | Baconguis, I, Bohlen, C.J, Goehring, A, Julius, D, Gouaux, E. | | 登録日 | 2013-12-02 | | 公開日 | 2014-02-19 | | 最終更新日 | 2024-10-09 | | 実験手法 | X-RAY DIFFRACTION (2.07 Å) | | 主引用文献 | X-ray structure of Acid-sensing ion channel 1-snake toxin complex reveals open state of a na(+)-selective channel.
Cell(Cambridge,Mass.), 156, 2014
|
|
4NUC
 | | Crystal structure of the first bromodomain of human BRD4 in complex with MS435 inhibitor | | 分子名称: | 1,2-ETHANEDIOL, 4-[(E)-(4-hydroxy-3,5-dimethylphenyl)diazenyl]-N-(pyridin-2-yl)benzenesulfonamide, Bromodomain-containing protein 4 | | 著者 | Plotnikov, A.N, Joshua, J, Zhou, M.-M. | | 登録日 | 2013-12-03 | | 公開日 | 2014-04-02 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | Structure-Guided Design of Potent Diazobenzene Inhibitors for the BET Bromodomains
J.Med.Chem., 56, 2013
|
|
6GJR
 | | Cyclophilin A complexed with tri-vector ligand 9. | | 分子名称: | Peptidyl-prolyl cis-trans isomerase A, ethyl 2-[[(4-aminophenyl)methyl-[(2-methyl-1,2,3,4-tetrazol-5-yl)methyl]carbamoyl]amino]ethanoate | | 著者 | Georgiou, C, De Simone, A, Walkinshaw, M.D, Michel, J. | | 登録日 | 2018-05-16 | | 公開日 | 2018-11-07 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.69 Å) | | 主引用文献 | A computationally designed binding mode flip leads to a novel class of potent tri-vector cyclophilin inhibitors.
Chem Sci, 10, 2019
|
|
6UXP
 | | Crystal structure of BAK core domain BH3-groove-dimer in complex with phosphatidylglycerol | | 分子名称: | 1,2-DIOCTANOYL-SN-GLYCERO-3-[PHOSPHO-RAC-(1-GLYCEROL), Bcl-2 homologous antagonist/killer, GLYCEROL | | 著者 | Cowan, A.D, Colman, P.M, Czabotar, P.E. | | 登録日 | 2019-11-07 | | 公開日 | 2020-09-02 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.492 Å) | | 主引用文献 | BAK core dimers bind lipids and can be bridged by them.
Nat.Struct.Mol.Biol., 27, 2020
|
|
4TOH
 | | 1.80A resolution structure of Iron Bound BfrB (C89S, K96C) from Pseudomonas aeruginosa | | 分子名称: | Bacterioferritin, FE (II) ION, POTASSIUM ION, ... | | 著者 | Lovell, S, Battaile, K.P, Yao, H, Kumar, R, Eshelman, K, Rivera, M. | | 登録日 | 2014-06-05 | | 公開日 | 2015-02-11 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Concerted motions networking pores and distant ferroxidase centers enable bacterioferritin function and iron traffic.
Biochemistry, 54, 2015
|
|
2YPJ
 | | Non-catalytic carbohydrate binding module CBM65B | | 分子名称: | ENDOGLUCANASE CEL5A, alpha-D-xylopyranose-(1-6)-beta-D-glucopyranose-(1-4)-[alpha-D-xylopyranose-(1-6)]beta-D-glucopyranose-(1-4)-[alpha-D-xylopyranose-(1-6)]beta-D-glucopyranose-(1-4)-beta-D-glucopyranose | | 著者 | Luis, A.S, Venditto, I, Prates, J.A.M, Ferreira, L.M.A, Temple, M.J, Rogowski, A, Basle, A, Xue, J, Knox, J.P, Gilbert, H.J, Fontes, C.M.G.A, Najmudin, S. | | 登録日 | 2012-10-30 | | 公開日 | 2012-12-19 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | | 主引用文献 | Understanding How Non-Catalytic Carbohydrate Binding Modules Can Display Specificity for Xyloglucan
J.Biol.Chem., 288, 2013
|
|
5WVE
 | | Apaf-1-Caspase-9 holoenzyme | | 分子名称: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, Apoptotic protease-activating factor 1, Caspase, ... | | 著者 | Li, Y, Zhou, M, Hu, Q, Shi, Y. | | 登録日 | 2016-12-24 | | 公開日 | 2017-02-08 | | 最終更新日 | 2024-11-13 | | 実験手法 | ELECTRON MICROSCOPY (4.4 Å) | | 主引用文献 | Mechanistic insights into caspase-9 activation by the structure of the apoptosome holoenzyme
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
|
|
9II5
 | | Crystal structure of human TRIM21 PRYSPRY in complex with compound 1 | | 分子名称: | E3 ubiquitin-protein ligase TRIM21, ~{N}-[(1-fluoranylcyclohexyl)methyl]-~{N}-methyl-4-(2-methylsulfanylphenyl)-2-methylsulfonyl-benzamide | | 著者 | Zhang, L.Y. | | 登録日 | 2024-06-19 | | 公開日 | 2025-05-07 | | 最終更新日 | 2025-05-28 | | 実験手法 | X-RAY DIFFRACTION (1.49 Å) | | 主引用文献 | Chemically Induced Nuclear Pore Complex Protein Degradation via TRIM21.
Acs Chem.Biol., 20, 2025
|
|
3O3Q
 | |
6EHJ
 | | Human N-myristoyltransferase (NMT1) with Myristoyl-CoA and peptide bound | | 分子名称: | ASPARAGINE, COENZYME A, GLYCEROL, ... | | 著者 | Perez-Dorado, I, Ritzefeld, M, Tate, E.W. | | 登録日 | 2017-09-13 | | 公開日 | 2019-03-27 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | High-resolution snapshots of human N-myristoyltransferase in action illuminate a mechanism promoting N-terminal Lys and Gly myristoylation.
Nat Commun, 11, 2020
|
|
8YRF
 | |
7EQD
 | | STRUCTURE OF PHOTOSYNTHETIC LH1-RC SUPER-COMPLEX OF RHODOSPIRILLUM RUBRUM | | 分子名称: | (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, 2-azanyl-5-[(2~{E},6~{E},8~{E},10~{E},12~{E},14~{E},18~{E},22~{E},26~{E},30~{E},34~{E})-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,8,10,12,14,18,22,26,30,34,38-dodecaenyl]-3-methoxy-6-methyl-cyclohexa-2,5-diene-1,4-dione, CARDIOLIPIN, ... | | 著者 | Tani, K, Kanno, R, Ji, X.-C, Yu, L.-J, Hall, M, Kimura, Y, Madigan, M.T, Mizoguchi, A, Humbel, B.M, Wang-Otomo, Z.-Y. | | 登録日 | 2021-05-01 | | 公開日 | 2021-08-18 | | 最終更新日 | 2024-11-13 | | 実験手法 | ELECTRON MICROSCOPY (2.76 Å) | | 主引用文献 | Cryo-EM Structure of the Photosynthetic LH1-RC Complex from Rhodospirillum rubrum .
Biochemistry, 2021
|
|
8Z75
 | | The structure of non-activated thiocyanate dehydrogenase from Pelomicrobium methylotrophicum (pmTcDH) | | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, COPPER (II) ION, ... | | 著者 | Varfolomeeva, L.A, Solovieva, A.Y, Shipkov, N.S, Dergousova, N.I, Boyko, K.M, Tikhonova, T.V, Popov, V.O. | | 登録日 | 2024-04-19 | | 公開日 | 2024-05-08 | | 最終更新日 | 2025-05-21 | | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | | 主引用文献 | Effect of Copper Ions on the Crystal Packing and Conformation of Thiocyanate Dehydrogenase in the Crystal Structure
Crystallography Reports, 70, 2025
|
|
7VZQ
 | | The structure of GdmN V24Y/G157A/R158A/G188R mutant in complex with carbamoyl adenylate intermediate | | 分子名称: | 1,2-ETHANEDIOL, 5'-O-[(S)-(carbamoyloxy)(hydroxy)phosphoryl]adenosine, CHLORIDE ION, ... | | 著者 | Wei, J, Zheng, J, Zhou, J, Kang, Q, Bai, L. | | 登録日 | 2021-11-16 | | 公開日 | 2022-11-16 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Endowing homodimeric carbamoyltransferase GdmN with iterative functions through structural characterization and mechanistic studies.
Nat Commun, 13, 2022
|
|
5HEL
 | | Crystal structure of the N-terminus Y153H bromodomain mutant of human BRD2 | | 分子名称: | 1,2-ETHANEDIOL, Bromodomain-containing protein 2 | | 著者 | Tallant, C, Lori, C, Pasquo, A, Chiaraluce, R, Consalvi, V, Newman, J.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S. | | 登録日 | 2016-01-06 | | 公開日 | 2016-01-20 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | | 主引用文献 | Crystal structure of the N-terminus Y153H bromodomain mutant of human BRD2
To Be Published
|
|
6EI4
 | | Crystal Structure of tyrosinase from Bacillus megaterium with B5N inhibitor in the active site | | 分子名称: | COPPER (II) ION, Tyrosinase, [4-[(4-fluorophenyl)methyl]piperazin-1-yl]-(2-methylphenyl)methanone | | 著者 | Deri, B, Gitto, R, Pazy Benhar, Y, Fishman, A. | | 登録日 | 2017-09-17 | | 公開日 | 2018-04-25 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Targeting Tyrosinase: Development and Structural Insights of Novel Inhibitors Bearing Arylpiperidine and Arylpiperazine Fragments.
J. Med. Chem., 61, 2018
|
|
4RN1
 | | Crystal structure of S39D HDAC8 in complex with a largazole analogue. | | 分子名称: | (5R,8S,11S)-5-methyl-8-(propan-2-yl)-11-[(1E)-4-sulfanylbut-1-en-1-yl]-3-thia-7,10,14,20,21-pentaazatricyclo[14.3.1.1~2,5~]henicosa-1(20),2(21),16,18-tetraene-6,9,13-trione, GLYCEROL, Histone deacetylase 8, ... | | 著者 | Decroos, C, Christianson, D.W. | | 登録日 | 2014-10-22 | | 公開日 | 2015-04-08 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (2.18 Å) | | 主引用文献 | Variable Active Site Loop Conformations Accommodate the Binding of Macrocyclic Largazole Analogues to HDAC8.
Biochemistry, 54, 2015
|
|
7CMF
 | | Crystal structure of human P-cadherin REC12 (monomer) in complex with 2-(5-chloro-2-methyl-1H-indol-3-yl)ethan-1-amine (inhibitor) | | 分子名称: | 2-(5-chloro-2-methyl-1H-indol-3-yl)ethan-1-amine, CALCIUM ION, Cadherin-3 | | 著者 | Senoo, A, Ito, S, Ueno, G, Nagatoishi, S, Tsumoto, K. | | 登録日 | 2020-07-27 | | 公開日 | 2021-09-15 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Regulation of cadherin dimerization by chemical fragments as a trigger to inhibit cell adhesion
Commun Biol, 4, 2021
|
|
5HCX
 | | EGFR kinase domain mutant "TMLR" with azabenzimidazole compound 7 | | 分子名称: | Epidermal growth factor receptor, SULFATE ION, ~{N}-[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]-2-methyl-1-propan-2-yl-imidazo[4,5-c]pyridin-6-amine | | 著者 | Eigenbrot, C, Yu, C. | | 登録日 | 2016-01-04 | | 公開日 | 2016-09-07 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Discovery of a Noncovalent, Mutant-Selective Epidermal Growth Factor Receptor Inhibitor.
J.Med.Chem., 59, 2016
|
|
6BQX
 | | Crystal structure of Escherichia coli DsbA in complex with N-methyl-1-(4-phenoxyphenyl)methanamine | | 分子名称: | N-methyl-1-(4-phenoxyphenyl)methanamine, Thiol:disulfide interchange protein DsbA | | 著者 | Heras, B, Totsika, M, Paxman, J.J, Wang, G, Scanlon, M.J. | | 登録日 | 2017-11-29 | | 公開日 | 2017-12-27 | | 最終更新日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (1.992 Å) | | 主引用文献 | Inhibition of Diverse DsbA Enzymes in Multi-DsbA Encoding Pathogens.
Antioxid. Redox Signal., 29, 2018
|
|
2BRY
 | | Crystal structure of the native monooxygenase domain of MICAL at 1.45 A resolution | | 分子名称: | CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ... | | 著者 | Siebold, C, Berrow, N, Walter, T.S, Harlos, K, Owens, R.J, Terman, J.R, Stuart, D.I, Kolodkin, A.L, Pasterkamp, R.J, Jones, E.Y. | | 登録日 | 2005-05-13 | | 公開日 | 2005-10-26 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | | 主引用文献 | High-Resolution Structure of the Catalytic Region of Mical (Molecule Interacting with Casl), a Multidomain Flavoenzyme-Signaling Molecule.
Proc.Natl.Acad.Sci.USA, 102, 2005
|
|
