7UYC
| Inhibitor bound VIM1 | 分子名称: | (2P)-4'-(piperidin-4-yl)-4-[(piperidin-4-yl)methyl]-2-(1H-tetrazol-5-yl)[1,1'-biphenyl]-3-sulfonamide, Beta-lactamase VIM-1, MAGNESIUM ION, ... | 著者 | Fischmann, T.O, Scapin, G. | 登録日 | 2022-05-06 | 公開日 | 2023-05-24 | 最終更新日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (1.02 Å) | 主引用文献 | Structure Guided Discovery of Novel Pan Metallo-beta-Lactamase Inhibitors with Improved Gram-Negative Bacterial Cell Penetration. J.Med.Chem., 67, 2024
|
|
5VAL
| |
5VUB
| Pim1 Kinase in complex with a benzofuranone inhibitor | 分子名称: | (2Z)-6-methoxy-7-(piperazin-1-ylmethyl)-2-(1H-pyrrolo[3,2-b]pyridin-3-ylmethylidene)-1-benzofuran-3-one, GLYCEROL, Serine/threonine-protein kinase pim-1 | 著者 | Parker, L.J. | 登録日 | 2017-05-18 | 公開日 | 2017-12-13 | 最終更新日 | 2018-01-17 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Theoretical Analysis of Activity Cliffs among Benzofuranone-Class Pim1 Inhibitors Using the Fragment Molecular Orbital Method with Molecular Mechanics Poisson-Boltzmann Surface Area (FMO+MM-PBSA) Approach J Chem Inf Model, 57, 2017
|
|
1X10
| Structure of Mutant Pyrrolidone Carboxyl Peptidase (E192A) from a Hyperthermophile, Pyrococcus furiosus | 分子名称: | Pyrrolidone-carboxylate peptidase | 著者 | Kaushik, J.K, Yamagata, Y, Ogasahara, K, Yutani, K. | 登録日 | 2005-03-31 | 公開日 | 2006-06-13 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Completely buried, non-ion-paired glutamic acid contributes favorably to the conformational stability of pyrrolidone carboxyl peptidases from hyperthermophiles. Biochemistry, 45, 2006
|
|
5KX9
| Selective Small Molecule Inhibition of the FMN Riboswitch | 分子名称: | (6P)-2-{(3S)-1-[(2-methoxypyrimidin-5-yl)methyl]piperidin-3-yl}-6-(thiophen-2-yl)pyrimidin-4-ol, FMN Riboswitch, MAGNESIUM ION, ... | 著者 | Fischmann, T.O. | 登録日 | 2016-07-20 | 公開日 | 2016-08-24 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | Atomic resolution mechanistic studies of ribocil: A highly selective unnatural ligand mimic of the E. coli FMN riboswitch. Rna Biol., 13, 2016
|
|
4XZY
| Crystal structure of dipeptidyl peptidase 11 (DPP11) from Porphyromonas gingivalis | 分子名称: | GLYCEROL, Peptidase S46 | 著者 | Sakamoto, Y, Suzuki, Y, Iizuka, I, Tateoka, C, Roppongi, S, Fujimoto, M, Nonaka, T, Ogasawara, W, Tanaka, N. | 登録日 | 2015-02-05 | 公開日 | 2015-07-15 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Structural and mutational analyses of dipeptidyl peptidase 11 from Porphyromonas gingivalis reveal the molecular basis for strict substrate specificity. Sci Rep, 5, 2015
|
|
4Y02
| Crystal structure of dipeptidyl peptidase 11 (DPP11) from Porphyromonas gingivalis (Ground) | 分子名称: | GLYCEROL, POTASSIUM ION, Peptidase S46 | 著者 | Sakamoto, Y, Suzuki, Y, Iizuka, I, Tateoka, C, Roppongi, S, Fujimoto, M, Nonaka, T, Ogasawara, W, Tanaka, N. | 登録日 | 2015-02-05 | 公開日 | 2015-07-15 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.96 Å) | 主引用文献 | Structural and mutational analyses of dipeptidyl peptidase 11 from Porphyromonas gingivalis reveal the molecular basis for strict substrate specificity. Sci Rep, 5, 2015
|
|
4Y01
| Crystal structure of dipeptidyl peptidase 11 (DPP11) from Porphyromonas gingivalis | 分子名称: | GLYCEROL, Peptidase S46 | 著者 | Sakamoto, Y, Suzuki, Y, Iizuka, I, Tateoka, C, Roppongi, S, Fujimoto, M, Nonaka, T, Ogasawara, W, Tanaka, N. | 登録日 | 2015-02-05 | 公開日 | 2015-07-15 | 最終更新日 | 2020-02-05 | 実験手法 | X-RAY DIFFRACTION (2.46 Å) | 主引用文献 | Structural and mutational analyses of dipeptidyl peptidase 11 from Porphyromonas gingivalis reveal the molecular basis for strict substrate specificity. Sci Rep, 5, 2015
|
|
4Y06
| Crystal structure of the DAP BII (G675R) dipeptide complex | 分子名称: | Dipeptidyl aminopeptidase BII, GLUTAMIC ACID, GLYCEROL, ... | 著者 | Sakamoto, Y, Iizuka, I, Tateoka, C, Roppongi, S, Fujimoto, M, Nonaka, T, Ogasawara, W, Tanaka, N. | 登録日 | 2015-02-05 | 公開日 | 2015-07-15 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.18 Å) | 主引用文献 | Structural and mutational analyses of dipeptidyl peptidase 11 from Porphyromonas gingivalis reveal the molecular basis for strict substrate specificity. Sci Rep, 5, 2015
|
|
7UP2
| NDM1-inhibitor co-structure | 分子名称: | (2M)-4'-methyl-2-(2H-tetrazol-5-yl)[1,1'-biphenyl]-3-sulfonamide, Beta-lactamase VIM-1, ZINC ION | 著者 | Scapin, G, Fischmann, T.O. | 登録日 | 2022-04-14 | 公開日 | 2023-03-08 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (1.13 Å) | 主引用文献 | Rapid Evolution of a Fragment-like Molecule to Pan-Metallo-Beta-Lactamase Inhibitors: Initial Leads toward Clinical Candidates. J.Med.Chem., 65, 2022
|
|
7UP1
| NDM1-inhibitor co-structure | 分子名称: | (2M)-4'-methyl-2-(2H-tetrazol-5-yl)[1,1'-biphenyl]-3-sulfonamide, CADMIUM ION, Metallo beta-lactamase, ... | 著者 | Scapin, G, Fischmann, T.O. | 登録日 | 2022-04-14 | 公開日 | 2023-03-08 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (1.11 Å) | 主引用文献 | Rapid Evolution of a Fragment-like Molecule to Pan-Metallo-Beta-Lactamase Inhibitors: Initial Leads toward Clinical Candidates. J.Med.Chem., 65, 2022
|
|
7UP3
| NDM1-inhibitor co-structure | 分子名称: | (3P)-4-[4-(hydroxymethyl)phenyl]-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CADMIUM ION, ... | 著者 | Scapin, G, Fischmann, T.O. | 登録日 | 2022-04-14 | 公開日 | 2023-03-08 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | Rapid Evolution of a Fragment-like Molecule to Pan-Metallo-Beta-Lactamase Inhibitors: Initial Leads toward Clinical Candidates. J.Med.Chem., 65, 2022
|
|
7UOX
| NDM1-inhibitor co-structure | 分子名称: | (2M)-4'-(hydroxymethyl)-2-(1H-tetrazol-5-yl)[1,1'-biphenyl]-3-ol, ACETATE ION, CADMIUM ION, ... | 著者 | Scapin, G, Fischmann, T.O. | 登録日 | 2022-04-14 | 公開日 | 2023-03-08 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (0.99 Å) | 主引用文献 | Rapid Evolution of a Fragment-like Molecule to Pan-Metallo-Beta-Lactamase Inhibitors: Initial Leads toward Clinical Candidates. J.Med.Chem., 65, 2022
|
|
7UOY
| NDM1-inhibitor co-structure | 分子名称: | (6P)-4-amino-6-(2H-tetrazol-5-yl)benzene-1,3-disulfonamide, CADMIUM ION, Metallo beta-lactamase, ... | 著者 | Scapin, G, Fischmann, T.O. | 登録日 | 2022-04-14 | 公開日 | 2023-03-08 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (1.47 Å) | 主引用文献 | Rapid Evolution of a Fragment-like Molecule to Pan-Metallo-Beta-Lactamase Inhibitors: Initial Leads toward Clinical Candidates. J.Med.Chem., 65, 2022
|
|
4Z2G
| Serratia marcescens Chitinase B complexed with macrolide inhibitor 26 | 分子名称: | (1R,2R,3R,6R,7S,8S,9R,10R,12R,13S,17S)-3-ethyl-2,10-dihydroxy-2,6,8,10,12,15,15,17-octamethyl-5-oxo-9-(prop-2-yn-1-yloxy)-4,14,16-trioxabicyclo[11.3.1]heptadec-7-yl {4-[N'-(methylcarbamoyl)carbamimidamido]butyl}carbamate, Chitinase B | 著者 | Maita, N, Sugawara, A, Sunazuka, T. | 登録日 | 2015-03-30 | 公開日 | 2015-07-01 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Creation of Customized Bioactivity within a 14-Membered Macrolide Scaffold: Design, Synthesis, and Biological Evaluation Using a Family-18 Chitinase J.Med.Chem., 58, 2015
|
|
4Z2L
| Serratia marcescens Chitinase B complexed with macrolide inhibitor 33 | 分子名称: | (3R,4S,5S,6R,7R,9R,10S,11S,12R,13S,14R)-14-ethyl-7,10,12,13-tetrahydroxy-3,5,7,9,11,13-hexamethyl-2-oxo-6-(prop-2-yn-1-yloxy)oxacyclotetradecan-4-yl {3-[N'-(methylcarbamoyl)carbamimidamido]propyl}carbamate, CHLORIDE ION, Chitinase B, ... | 著者 | Maita, N, Sugawara, A, Sunazuka, T. | 登録日 | 2015-03-30 | 公開日 | 2015-07-01 | 最終更新日 | 2024-10-16 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Creation of Customized Bioactivity within a 14-Membered Macrolide Scaffold: Design, Synthesis, and Biological Evaluation Using a Family-18 Chitinase J.Med.Chem., 58, 2015
|
|
4Z2J
| Serratia marcescens Chitinase B complexed with macrolide inhibitor 31 | 分子名称: | (1R,2R,3R,6R,7S,8S,9R,10R,12R,13S,17S)-3-ethyl-2,10-dihydroxy-2,6,8,10,12,15,15,17-octamethyl-5-oxo-9-(prop-2-yn-1-yloxy)-4,14,16-trioxabicyclo[11.3.1]heptadec-7-yl {5-[N'-(methylcarbamoyl)carbamimidamido]pentyl}carbamate, Chitinase B, GLYCEROL, ... | 著者 | Maita, N, Sugawara, A, Sunazuka, T. | 登録日 | 2015-03-30 | 公開日 | 2015-07-01 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Creation of Customized Bioactivity within a 14-Membered Macrolide Scaffold: Design, Synthesis, and Biological Evaluation Using a Family-18 Chitinase J.Med.Chem., 58, 2015
|
|
6Y5V
| Structure of Human Potassium Chloride Transporter KCC3b (S45D/T940D/T997D) in KCl | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Solute carrier family 12 member 6, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | 著者 | Chi, G, Man, H, Ebenhoch, R, Reggiano, G, Pike, A.C.W, Wang, D, McKinley, G, Mukhopadhyay, S.M.M, MacLean, E.M, Chalk, R, Moreau, C, Snee, M, Bohstedt, T, Singh, N.K, Abrusci, P, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Marsden, B.D, Burgess-Brown, N.A, DiMaio, F, Duerr, K.L. | 登録日 | 2020-02-25 | 公開日 | 2020-07-15 | 最終更新日 | 2024-10-16 | 実験手法 | ELECTRON MICROSCOPY (4.08 Å) | 主引用文献 | Phospho-regulation, nucleotide binding and ion access control in potassium-chloride cotransporters. Embo J., 40, 2021
|
|
4Z2K
| Serratia marcescens Chitinase B complexed with macrolide inhibitor 32 | 分子名称: | (1R,2R,3R,6R,7S,8S,9R,10R,12R,13S,17S)-3-ethyl-2,10-dihydroxy-2,6,8,10,12,15,15,17-octamethyl-5-oxo-9-(prop-2-yn-1-yloxy)-4,14,16-trioxabicyclo[11.3.1]heptadec-7-yl {7-[N'-(methylcarbamoyl)carbamimidamido]heptyl}carbamate, Chitinase B, GLYCEROL | 著者 | Maita, N, Sugawara, A, Sunazuka, T. | 登録日 | 2015-03-30 | 公開日 | 2015-07-01 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Creation of Customized Bioactivity within a 14-Membered Macrolide Scaffold: Design, Synthesis, and Biological Evaluation Using a Family-18 Chitinase J.Med.Chem., 58, 2015
|
|
4Z2H
| Serratia marcescens Chitinase B complexed with macrolide inhibitor 29 | 分子名称: | (1R,2R,3R,6R,7S,8S,9R,10R,12R,13S,17S)-3-ethyl-2,10-dihydroxy-2,6,8,10,12,15,15,17-octamethyl-5-oxo-9-(prop-2-yn-1-yloxy)-4,14,16-trioxabicyclo[11.3.1]heptadec-7-yl {2-[N'-(methylcarbamoyl)carbamimidamido]ethyl}carbamate, CHLORIDE ION, Chitinase B, ... | 著者 | Maita, N, Sugawara, A, Sunazuka, T. | 登録日 | 2015-03-30 | 公開日 | 2015-07-01 | 最終更新日 | 2024-10-16 | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | 主引用文献 | Creation of Customized Bioactivity within a 14-Membered Macrolide Scaffold: Design, Synthesis, and Biological Evaluation Using a Family-18 Chitinase J.Med.Chem., 58, 2015
|
|
4Z2I
| Serratia marcescens Chitinase B complexed with macrolide inhibitor 30 | 分子名称: | (1R,2R,3R,6R,7S,8S,9R,10R,12R,13S,17S)-3-ethyl-2,10-dihydroxy-2,6,8,10,12,15,15,17-octamethyl-5-oxo-9-(prop-2-yn-1-yloxy)-4,14,16-trioxabicyclo[11.3.1]heptadec-7-yl {3-[N'-(methylcarbamoyl)carbamimidamido]propyl}carbamate, Chitinase B, GLYCEROL, ... | 著者 | Maita, N, Sugawara, A, Sunazuka, T. | 登録日 | 2015-03-30 | 公開日 | 2015-07-01 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Creation of Customized Bioactivity within a 14-Membered Macrolide Scaffold: Design, Synthesis, and Biological Evaluation Using a Family-18 Chitinase J.Med.Chem., 58, 2015
|
|
8HDD
| Complex structure of catalytic, small, and a partial electron transfer subunits from Burkholderia cepacia FAD glucose dehydrogenase | 分子名称: | FE3-S4 CLUSTER, FLAVIN-ADENINE DINUCLEOTIDE, Glucose dehydrogenase, ... | 著者 | Yoshida, H, Sode, K. | 登録日 | 2022-11-04 | 公開日 | 2022-12-14 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | Microgravity environment grown crystal structure information based engineering of direct electron transfer type glucose dehydrogenase. Commun Biol, 5, 2022
|
|
5V4E
| Engineered human IgG Fc domain glyco801 (Fc801) | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-2)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Yan, W, Marshall, N, Zhang, Y.J. | 登録日 | 2017-03-09 | 公開日 | 2017-06-21 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (3.216 Å) | 主引用文献 | IgG Fc domains that bind C1q but not effector Fc gamma receptors delineate the importance of complement-mediated effector functions. Nat. Immunol., 18, 2017
|
|
5V43
| |
3A8U
| |