6U4L
| cysteine dioxygenase variant - C93E | 分子名称: | ACETATE ION, Cysteine dioxygenase type 1, FE (III) ION | 著者 | Meneely, K.M, Chilton, A.S, Forbes, D.L, Ellis, H.R, Lamb, A.L. | 登録日 | 2019-08-26 | 公開日 | 2020-07-08 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.911 Å) | 主引用文献 | The 3-His Metal Coordination Site Promotes the Coupling of Oxygen Activation to Cysteine Oxidation in Cysteine Dioxygenase. Biochemistry, 59, 2020
|
|
6UFD
| |
6GB7
| Structure of H-2Db with scoop loop from tapasin | 分子名称: | Beta-2-microglobulin, GLY-GLY-LEU-SER, GLYCEROL, ... | 著者 | Hafstrand, I, Sandalova, T, Achour, A. | 登録日 | 2018-04-13 | 公開日 | 2019-03-06 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | 主引用文献 | Successive crystal structure snapshots suggest the basis for MHC class I peptide loading and editing by tapasin. Proc.Natl.Acad.Sci.USA, 116, 2019
|
|
6TWT
| Crystal structure of N-terminally truncated NDM-1 metallo-beta-lactamase | 分子名称: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM ION, CHLORIDE ION, ... | 著者 | Imiolczyk, B, Czyrko-Horczak, J, Brzezinski, K, Jaskolski, M. | 登録日 | 2020-01-13 | 公開日 | 2020-05-13 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (0.95 Å) | 主引用文献 | Flexible loops of New Delhi metallo-beta-lactamase modulate its activity towards different substrates. Int.J.Biol.Macromol., 158, 2020
|
|
5J03
| |
6U0X
| Crystal structure of Staphylococcal nuclease variant Delta+PHS Q123D at cryogenic temperature | 分子名称: | CALCIUM ION, THYMIDINE-3',5'-DIPHOSPHATE, Thermonuclease | 著者 | Jeliazkov, J.R, Robinson, A.C, Berger, J.M, Garcia-Moreno E, B, Gray, J.G. | 登録日 | 2019-08-15 | 公開日 | 2019-08-28 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.86 Å) | 主引用文献 | Toward the computational design of protein crystals with improved resolution. Acta Crystallogr D Struct Biol, 75, 2019
|
|
6GB6
| Structure of H-2Kb with dipeptide GL | 分子名称: | Beta-2-microglobulin, GLYCEROL, GLYCINE, ... | 著者 | Hafstrand, I, Sandalova, T, Achour, A. | 登録日 | 2018-04-13 | 公開日 | 2019-03-06 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.78 Å) | 主引用文献 | Successive crystal structure snapshots suggest the basis for MHC class I peptide loading and editing by tapasin. Proc.Natl.Acad.Sci.USA, 116, 2019
|
|
6G5J
| Secreted phospholipase A2 type X in complex with ligand | 分子名称: | (3~{R})-3-[3-[2-aminocarbonyl-6-(trifluoromethyloxy)indol-1-yl]phenyl]butanoic acid, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... | 著者 | Sandmark, J, Oster, L. | 登録日 | 2018-03-29 | 公開日 | 2018-09-05 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Design of Selective sPLA2-X Inhibitor (-)-2-{2-[Carbamoyl-6-(trifluoromethoxy)-1H-indol-1-yl]pyridine-2-yl}propanoic Acid. ACS Med Chem Lett, 9, 2018
|
|
6UFC
| |
6G83
| Crystal structure of M. tuberculosis DprE1 in complex with sPBTZ169 (sulfonylPBTZ) | 分子名称: | Decaprenylphosphoryl-beta-D-ribose oxidase, FLAVIN-ADENINE DINUCLEOTIDE, [2-(4-cyclohexylsulfonylpiperazin-1-yl)-4-oxidanylidene-6-(trifluoromethyl)-1,3-benzothiazin-8-yl]-oxidanylidene-azanium | 著者 | Piton, J, Makarov, V, Cole, S.T. | 登録日 | 2018-04-07 | 公開日 | 2018-08-01 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Structure-Based Drug Design and Characterization of Sulfonyl-Piperazine Benzothiazinone Inhibitors of DprE1 from Mycobacterium tuberculosis. Antimicrob. Agents Chemother., 62, 2018
|
|
6ULU
| |
1NON
| PyrR, the regulator of the pyrimidine biosynthetic operon in Bacillus caldolyticus | 分子名称: | PyrR bifunctional protein | 著者 | Switzer, R.L, Chander, P, Smith, J.L, Halbig, K.M, Miller, J.K, Bonner, H.K, Grabner, G.K. | 登録日 | 2003-01-16 | 公開日 | 2004-05-25 | 最終更新日 | 2023-08-16 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Structure of the Nucleotide Complex of PyrR, the pyr Attenuation Protein from Bacillus caldolyticus, Suggests Dual Regulation by Pyrimidine and Purine Nucleotides J.Bacteriol., 187, 2005
|
|
6U6T
| Neuronal growth regulator 1 (NEGR1) | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Neuronal growth regulator 1, ... | 著者 | Machius, M, Venkannagari, H, Misra, A, Rudenko, G. | 登録日 | 2019-08-30 | 公開日 | 2020-08-12 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (3.01 Å) | 主引用文献 | Highly Conserved Molecular Features in IgLONs Contrast Their Distinct Structural and Biological Outcomes. J.Mol.Biol., 432, 2020
|
|
6TZH
| ADC-7 in complex with boronic acid transition state inhibitor S06015 | 分子名称: | Beta-lactamase, GLYCINE, PHOSPHATE ION, ... | 著者 | Fish, E.R, Powers, R.A, Wallar, B.J. | 登録日 | 2019-08-12 | 公開日 | 2020-06-24 | 最終更新日 | 2020-07-22 | 実験手法 | X-RAY DIFFRACTION (2.04 Å) | 主引用文献 | 1,2,3-Triazolylmethaneboronate: A Structure Activity Relationship Study of a Class of beta-Lactamase Inhibitors againstAcinetobacter baumanniiCephalosporinase. Acs Infect Dis., 6, 2020
|
|
6FV1
| Structure of human coronavirus NL63 main protease in complex with the alpha-ketoamide (S)-N-((S)-4-(benzylamino)-3,4-dioxo-1-((S)-2-oxopyrrolidin-3-yl)butan-2-yl)-2-cinnamamido-4-methylpentanamide (cinnamoyl-leucine-GlnLactam-CO-CO-NH-benzyl) | 分子名称: | (2~{S})-4-methyl-~{N}-[(2~{S},3~{R})-3-oxidanyl-4-oxidanylidene-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]-4-[(phenylmethyl)amino]butan-2-yl]-2-[[(~{E})-3-phenylprop-2-enoyl]amino]pentanamide, 3C-like proteinase, DIMETHYL SULFOXIDE, ... | 著者 | Zhang, L, Hilgenfeld, R. | 登録日 | 2018-02-28 | 公開日 | 2019-03-20 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Alpha-ketoamides as broad-spectrum inhibitors of coronavirus and enterovirus replication Structure-based design, synthesis, and activity assessment. J.Med.Chem., 2020
|
|
6GB5
| Structure of H-2Db with truncated SEV peptide and GL | 分子名称: | Beta-2-microglobulin, GLY-LEU, GLYCEROL, ... | 著者 | Hafstrand, I, Sandalova, T, Achour, A. | 登録日 | 2018-04-13 | 公開日 | 2019-03-06 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Successive crystal structure snapshots suggest the basis for MHC class I peptide loading and editing by tapasin. Proc.Natl.Acad.Sci.USA, 116, 2019
|
|
6TFP
| BTK in complex with LOU064, a potent and highly selective covalent inhibitor | 分子名称: | SODIUM ION, Tyrosine-protein kinase BTK, ~{N}-[3-[6-azanyl-5-[2-[methyl(propanoyl)amino]ethoxy]pyrimidin-4-yl]-5-fluoranyl-2-methyl-phenyl]-4-cyclopropyl-2-fluoranyl-benzamide | 著者 | Scheufler, C, Hinniger, A, Gutmann, S. | 登録日 | 2019-11-14 | 公開日 | 2020-03-04 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Discovery of LOU064 (Remibrutinib), a Potent and Highly Selective Covalent Inhibitor of Bruton's Tyrosine Kinase. J.Med.Chem., 63, 2020
|
|
5JK3
| Crystal structure of TL11-128 bound to TAK1-TAB1 | 分子名称: | Mitogen-activated protein kinase kinase kinase 7,TGF-beta-activated kinase 1 and MAP3K7-binding protein 1, ~{N}-[2-[5-chloranyl-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]oxyphenyl]prop-2-enamide | 著者 | Gurbani, D, Westover, K.D. | 登録日 | 2016-04-25 | 公開日 | 2017-02-15 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.371 Å) | 主引用文献 | Structure-guided development of covalent TAK1 inhibitors. Bioorg. Med. Chem., 25, 2017
|
|
1NOM
| |
6FNJ
| Crystal Structure of Ephrin B4 (EphB4) Receptor Protein Kinase with an isomer of NVP-BHG712 | 分子名称: | 1,2-ETHANEDIOL, 4-methyl-3-[(2-methyl-6-pyridin-3-yl-pyrazolo[3,4-d]pyrimidin-4-yl)amino]-~{N}-[3-(trifluoromethyl)phenyl]benzamide, Ephrin type-B receptor 4 | 著者 | Kudlinzki, D, Troester, A, Witt, K, Linhard, V.L, Saxena, K, Schwalbe, H. | 登録日 | 2018-02-04 | 公開日 | 2018-08-08 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.239 Å) | 主引用文献 | NVP-BHG712: Effects of Regioisomers on the Affinity and Selectivity toward the EPHrin Family. ChemMedChem, 13, 2018
|
|
4I7Q
| |
4I7L
| T4 Lysozyme L99A/M102H with phenol bound | 分子名称: | 2-HYDROXYETHYL DISULFIDE, ACETATE ION, BETA-MERCAPTOETHANOL, ... | 著者 | Merski, M, Shoichet, B.K. | 登録日 | 2012-11-30 | 公開日 | 2013-04-03 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.52 Å) | 主引用文献 | The impact of introducing a histidine into an apolar cavity site on docking and ligand recognition. J.Med.Chem., 56, 2013
|
|
6RG3
| Crystal structure of human Carbonic anhydrase II in complex with (R)-4-(2-benzylpiperazin-1-yl)benzenesulfonamide | 分子名称: | 4-[(2~{R})-2-(phenylmethyl)piperazin-1-yl]carbonylbenzenesulfonamide, Carbonic anhydrase 2, GLYCEROL, ... | 著者 | Ferraroni, M, Angeli, A, Supuran, C. | 登録日 | 2019-04-16 | 公開日 | 2020-05-13 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.32 Å) | 主引用文献 | Sulfonamides incorporating piperazine bioisosteres as potent human carbonic anhydrase I, II, IV and IX inhibitors. Bioorg.Chem., 91, 2019
|
|
6GVV
| |
6RTN
| Crystal structure of OXA-10 with VNRX-5133 | 分子名称: | (3~{R})-3-[2-[4-(2-azanylethylamino)cyclohexyl]ethanoylamino]-2-oxidanyl-3,4-dihydro-1,2-benzoxaborinine-8-carboxylic acid, Beta-lactamase OXA-10, CHLORIDE ION | 著者 | Brem, J, Schofield, C. | 登録日 | 2019-05-24 | 公開日 | 2019-09-11 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.17 Å) | 主引用文献 | Bicyclic Boronate VNRX-5133 Inhibits Metallo- and Serine-beta-Lactamases. J.Med.Chem., 62, 2019
|
|