5OHF
 
 | | Globin sensor domain of AfGcHK (FeIII form) in complex with cyanide, partially reduced | | 分子名称: | CHLORIDE ION, CYANIDE ION, Globin-coupled histidine kinase, ... | | 著者 | Skalova, T, Kolenko, P, Dohnalek, J, Stranava, M, Martinkova, M. | | 登録日 | 2017-07-16 | | 公開日 | 2017-11-08 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Coordination and redox state-dependent structural changes of the heme-based oxygen sensor AfGcHK associated with intraprotein signal transduction.
J. Biol. Chem., 292, 2017
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5EC9
 | | Retinoic acid receptor alpha in complex with chiral dihydrobenzofuran benzoic acid 9a and a fragment of the coactivator TIF2 | | 分子名称: | 4-[(11S,15R)-4,4,7,7-Tetramethyl-16-oxatetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),2,8-trien-11-yl]benzoic acid, LYS-HIS-LYS-ILE-LEU-HIS-ARG-LEU-LEU-GLN-ASP, Retinoic acid receptor RXR-alpha | | 著者 | Leysen, S, Ottmann, C, Schafer, A, Scheepstra, M, Brunsveld, L, Sunden, R, Ma, J.N, Burnstein, E.S, Olsson, R. | | 登録日 | 2015-10-20 | | 公開日 | 2016-03-09 | | 最終更新日 | 2024-06-19 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Chiral Dihydrobenzofuran Acids Show Potent Retinoid X Receptor-Nuclear Receptor Related 1 Protein Dimer Activation.
J.Med.Chem., 59, 2016
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5J27
 | | HSP90 in complex with 5-[4-(2-Fluoro-phenyl)-5-oxo-4,5-dihydro-1H-[1,2,4]triazol-3-yl]-2,4-dihydroxy-N-methyl-N-propyl-benzenesulfonamide | | 分子名称: | 5-[4-(2-fluorophenyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl]-2,4-dihydroxy-N-methyl-N-propylbenzene-1-sulfonamide, Heat shock protein HSP 90-alpha | | 著者 | Amaral, M, Matias, P. | | 登録日 | 2016-03-29 | | 公開日 | 2017-12-06 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Protein conformational flexibility modulates kinetics and thermodynamics of drug binding.
Nat Commun, 8, 2017
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2PWQ
 | | Crystal structure of a putative ubiquitin conjugating enzyme from Plasmodium yoelii | | 分子名称: | Ubiquitin conjugating enzyme | | 著者 | Qiu, W, Dong, A, Hassanali, A, Lin, L, Brokx, S, Altamentova, S, Hills, T, Lew, J, Ravichandran, M, Kozieradzki, I, Zhao, Y, Schapira, M, Edwards, A.M, Arrowsmith, C.H, Weigelt, J, Sundstrom, M, Bochkarev, A, Hui, R, Structural Genomics Consortium (SGC) | | 登録日 | 2007-05-11 | | 公開日 | 2007-05-22 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Crystal structure of a putative ubiquitin conjugating enzyme from Plasmodium yoelii.
To be Published
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5ED3
 | | crystal structure of human Hint1 complexing with AP5A | | 分子名称: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ADENOSINE MONOPHOSPHATE, Histidine triad nucleotide-binding protein 1 | | 著者 | Wang, J, Fang, P, Guo, M. | | 登録日 | 2015-10-20 | | 公開日 | 2017-01-25 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.309 Å) | | 主引用文献 | Second messenger Ap4A polymerizes target protein HINT1 to transduce signals in Fc epsilon RI-activated mast cells.
Nat Commun, 10, 2019
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5OGQ
 | | Structure of cathepsin B1 from Schistosoma mansoni in complex with WRR391 inhibitor | | 分子名称: | ACETATE ION, Cathepsin B-like peptidase (C01 family), ethyl 1-[[(2~{S})-3-(4-hydroxyphenyl)-1-oxidanylidene-1-[[(3~{S})-1-phenyl-5-pyridin-2-ylsulfonyl-pentan-3-yl]amino]propan-2-yl]carbamoyl]piperidine-4-carboxylate | | 著者 | Jilkova, A, Rezacova, P, Brynda, J, Mares, M. | | 登録日 | 2017-07-13 | | 公開日 | 2018-11-21 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.91 Å) | | 主引用文献 | Druggable Hot Spots in the Schistosomiasis Cathepsin B1 Target Identified by Functional and Binding Mode Analysis of Potent Vinyl Sulfone Inhibitors.
Acs Infect Dis., 2020
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6CCV
 | | Crystal structure of a Mycobacterium smegmatis RNA polymerase transcription initiation complex with inhibitor Rifampicin | | 分子名称: | 1,2-ETHANEDIOL, DNA (26-MER), DNA (31-MER), ... | | 著者 | Lilic, M, Darst, S.A, Campbell, E.A. | | 登録日 | 2018-02-07 | | 公開日 | 2018-08-15 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (3.05 Å) | | 主引用文献 | Rifamycin congeners kanglemycins are active against rifampicin-resistant bacteria via a distinct mechanism.
Nat Commun, 9, 2018
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8ISN
 | | HLA-A24 in complex with modified 9mer WT1 peptide | | 分子名称: | Beta-2-microglobulin, CYS-TYR-THR-TRP-ASN-GLN-MET-ASN-LEU, GLYCEROL, ... | | 著者 | Bekker, G.J, Numoto, N, Kawasaki, M, Hayashi, T, Yabuno, S, Kozono, Y, Shimizu, T, Kozono, H, Ito, N, Oda, M, Kamiya, N. | | 登録日 | 2023-03-21 | | 公開日 | 2023-09-13 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.48 Å) | | 主引用文献 | Elucidation of binding mechanism, affinity, and complex structure between mWT1 tumor-associated antigen peptide and HLA-A*24:02.
Protein Sci., 32, 2023
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2VKT
 | | HUMAN CTP SYNTHETASE 2 - GLUTAMINASE DOMAIN | | 分子名称: | CTP SYNTHASE 2 | | 著者 | Welin, M, Tresaugues, L, Arrowsmith, C.H, Berglund, H, Busam, R.D, Collins, R, Dahlgren, L.G, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Herman, M.D, Johansson, I, Kallas, A, Karlberg, T, Kotenyova, T, Lehtio, L, Moche, M, Nilsson, M.E, Nyman, T, Persson, C, Sagemark, J, Svensson, L, Thorsell, A.G, van den Berg, S, Weigelt, J, Nordlund, P, Structural Genomics Consortium (SGC) | | 登録日 | 2007-12-28 | | 公開日 | 2008-01-15 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Human Ctp Synthetase 2 - Glutaminase Domain
To be Published
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7L4Z
 | | Structure of SARS-CoV-2 spike RBD in complex with cyclic peptide | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ACE-DTY-LYS-ALA-GLY-VAL-VAL-TYR-GLY-TYR-ASN-ALA-TRP-ILE-ARG-CYS-NH2, Spike protein S1 | | 著者 | Christie, M, Mackay, J.P, Passioura, T, Payne, R.J. | | 登録日 | 2020-12-21 | | 公開日 | 2021-06-30 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (3.96 Å) | | 主引用文献 | Discovery of Cyclic Peptide Ligands to the SARS-CoV-2 Spike Protein Using mRNA Display.
Acs Cent.Sci., 7, 2021
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8OU1
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7ANW
 | | hSARM1 NAD+ complex | | 分子名称: | NAD(+) hydrolase SARM1, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | | 著者 | Sporny, M, Guez-Haddad, J, Khazma, T, Yaron, A, Mim, C, Isupov, M.N, Zalk, R, Dessau, M, Hons, M, Opatowsky, Y. | | 登録日 | 2020-10-13 | | 公開日 | 2020-11-11 | | 最終更新日 | 2024-05-01 | | 実験手法 | ELECTRON MICROSCOPY (2.68 Å) | | 主引用文献 | Structural basis for SARM1 inhibition and activation under energetic stress.
Elife, 9, 2020
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8P00
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6TY7
 | | Crystal structure of haloalkane dehalogenase variant DhaA115 domain-swapped dimer type-1 | | 分子名称: | 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLYCEROL, ... | | 著者 | Markova, K, Chaloupkova, R, Damborsky, J, Marek, M. | | 登録日 | 2020-01-15 | | 公開日 | 2021-01-27 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Computational Enzyme Stabilization Can Affect Folding Energy Landscapes and Lead to Catalytically Enhanced Domain-Swapped Dimers
Acs Catalysis, 11, 2021
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5J9X
 | | HSP90 in complex with N-Butyl-5-[4-(2-fluoro-phenyl)-5-oxo-4,5-dihydro-1H-[1,2,4]triazol-3-yl]-2,4-dihydroxy-N-methyl-benzamide | | 分子名称: | DIMETHYL SULFOXIDE, Heat shock protein HSP 90-alpha, N-butyl-5-[4-(2-fluorophenyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl]-2,4-dihydroxy-N-methylbenzamide | | 著者 | Amaral, M, Matias, P. | | 登録日 | 2016-04-11 | | 公開日 | 2017-12-06 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Protein conformational flexibility modulates kinetics and thermodynamics of drug binding.
Nat Commun, 8, 2017
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6GXU
 | | Crystal structure of Schistosoma mansoni HDAC8 complexed with an hydroxamate 3 | | 分子名称: | (~{E})-3-[2-(4-chlorophenyl)sulfanylphenyl]-~{N}-oxidanyl-prop-2-enamide, DIMETHYLFORMAMIDE, GLYCEROL, ... | | 著者 | Shaik, T.B, Marek, M, Romier, C. | | 登録日 | 2018-06-27 | | 公開日 | 2018-08-15 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.917 Å) | | 主引用文献 | Synthesis, Crystallization Studies, and in vitro Characterization of Cinnamic Acid Derivatives as SmHDAC8 Inhibitors for the Treatment of Schistosomiasis.
ChemMedChem, 13, 2018
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6WCE
 | | Structure of the periplasmic binding protein P5PA | | 分子名称: | PYRIDOXAL-5'-PHOSPHATE, Pyridoxal-5-phosphate binding protein A (P5PA) | | 著者 | Pan, C, Zimmer, A, Shah, M, Huynh, M, Lai, C.C.L, Sit, B, Hooda, Y, Moraes, T.F. | | 登録日 | 2020-03-30 | | 公開日 | 2021-08-25 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.754 Å) | | 主引用文献 | Actinobacillus utilizes a binding protein-dependent ABC transporter to acquire the active form of vitamin B 6 .
J.Biol.Chem., 297, 2021
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6CCO
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1UVX
 | | Heme-ligand tunneling on group I truncated hemoglobins | | 分子名称: | CYANIDE ION, GLOBIN LI637, PROTOPORPHYRIN IX CONTAINING FE, ... | | 著者 | Milani, M, Pesce, A, Ouellet, Y, Dewilde, S, Friedman, J, Ascenzi, P, Guertin, M, Bolognesi, M. | | 登録日 | 2004-01-27 | | 公開日 | 2004-03-18 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | | 主引用文献 | Heme-Ligand Tunneling in Group I Truncated Hemoglobins
J.Biol.Chem., 279, 2004
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6CCQ
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5OCR
 | | Crystal structure of the kappa-carrageenase zobellia_236 from Zobellia galactanivorans | | 分子名称: | GLYCEROL, Kappa-carrageenase, MAGNESIUM ION | | 著者 | Czjzek, M, Matard-Mann, M, Michel, G, Jeudy, A, Larocque, R. | | 登録日 | 2017-07-03 | | 公開日 | 2017-10-18 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.66 Å) | | 主引用文献 | Structural insights into marine carbohydrate degradation by family GH16 kappa-carrageenases.
J. Biol. Chem., 292, 2017
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5LJP
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5DJT
 | | Crystal structure of LOV2 (C450A) domain in complex with Zdk2 | | 分子名称: | CHLORIDE ION, COPPER (II) ION, Engineered protein, ... | | 著者 | Tarnawski, M, Wang, H, Yumerefendi, H, Hahn, K.M, Schlichting, I. | | 登録日 | 2015-09-02 | | 公開日 | 2016-07-20 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | LOVTRAP: an optogenetic system for photoinduced protein dissociation.
Nat.Methods, 13, 2016
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8EZV
 | | SARS-CoV-2 Main Protease (Mpro) in Complex with ML2006a | | 分子名称: | (1R,2S,5S)-N-{(2S,3R)-4-(azetidin-1-yl)-3-hydroxy-4-oxo-1-[(3S)-2-oxopiperidin-3-yl]butan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5 | | 著者 | Westberg, M, Fernandez, D, Lin, M.Z. | | 登録日 | 2022-11-01 | | 公開日 | 2023-10-11 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | An orally bioavailable SARS-CoV-2 main protease inhibitor exhibits improved affinity and reduced sensitivity to mutations.
Sci Transl Med, 16, 2024
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8EZZ
 | | SARS-CoV-2 Main Protease (Mpro) in Complex with ML2006a2 | | 分子名称: | (1R,2S,5S)-N-{(2S,3R)-4-(3,3-difluoroazetidin-1-yl)-3-hydroxy-4-oxo-1-[(3S)-2-oxopiperidin-3-yl]butan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5, CHLORIDE ION | | 著者 | Westberg, M, Fernandez, D, Lin, M.Z. | | 登録日 | 2022-11-01 | | 公開日 | 2023-10-11 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | An orally bioavailable SARS-CoV-2 main protease inhibitor exhibits improved affinity and reduced sensitivity to mutations.
Sci Transl Med, 16, 2024
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