5MLS
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![BU of 5mls by Molmil](/molmil-images/mine/5mls) | Thrombin Mutant A190S in complex with (S)-1-(D-phenylalanyl)-N-(3-chlorobenzyl)pyrrolidine-2-carboxamide | 分子名称: | D-phenylalanyl-N-(3-chlorobenzyl)-L-prolinamide, DIMETHYL SULFOXIDE, GLYCEROL, ... | 著者 | Marca, A, Sandner, A, Heine, A, Klebe, G. | 登録日 | 2016-12-07 | 公開日 | 2017-12-20 | 最終更新日 | 2018-06-13 | 実験手法 | X-RAY DIFFRACTION (1.62 Å) | 主引用文献 | Thrombin Mutante A190S in complex with (S)-1-((R)-2-amino-3,3-diphenylpropanoyl)-N-(4-carbamimidoylbenzyl)pyrrolidine-2-carboxamide to be published
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7WCW
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![BU of 7wcw by Molmil](/molmil-images/mine/7wcw) | Crystal structure of FGFR4(V550L) kinase domain with 7v | 分子名称: | Fibroblast growth factor receptor 4, SULFATE ION, ~{N}-[2-[[5-[(1~{R})-1-[3,5-bis(chloranyl)pyridin-4-yl]ethoxy]-1~{H}-indazol-3-yl]amino]-3-fluoranyl-5-(4-morpholin-4-ylpiperidin-1-yl)phenyl]propanamide | 著者 | Chen, X.J, Lin, Q.M, Dai, S.Y, Chen, Y.H. | 登録日 | 2021-12-20 | 公開日 | 2022-03-30 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.317 Å) | 主引用文献 | Design, Synthesis, and Biological Evaluation of Aminoindazole Derivatives as Highly Selective Covalent Inhibitors of Wild-Type and Gatekeeper Mutant FGFR4. J.Med.Chem., 65, 2022
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7WCX
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![BU of 7wcx by Molmil](/molmil-images/mine/7wcx) | Crystal structure of FGFR4(V550M) kinase domain with 7v | 分子名称: | Fibroblast growth factor receptor 4, SULFATE ION, ~{N}-[2-[[5-[(1~{R})-1-[3,5-bis(chloranyl)pyridin-4-yl]ethoxy]-1~{H}-indazol-3-yl]amino]-3-fluoranyl-5-(4-morpholin-4-ylpiperidin-1-yl)phenyl]propanamide | 著者 | Chen, X.J, Lin, Q.M, Dai, S.Y, Chen, Y.H. | 登録日 | 2021-12-20 | 公開日 | 2022-03-30 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.175 Å) | 主引用文献 | Design, Synthesis, and Biological Evaluation of Aminoindazole Derivatives as Highly Selective Covalent Inhibitors of Wild-Type and Gatekeeper Mutant FGFR4. J.Med.Chem., 65, 2022
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5ILZ
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![BU of 5ilz by Molmil](/molmil-images/mine/5ilz) | Tobacco 5-epi-aristolochene synthase with BIS-TRIS propane (BTP) buffer molecule | 分子名称: | 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5-epi-aristolochene synthase | 著者 | Koo, H.J, Louie, G.V, Xu, Y, Bowman, M, Noel, J.P. | 登録日 | 2016-03-05 | 公開日 | 2017-03-08 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.92 Å) | 主引用文献 | Small-molecule buffer components can directly affect terpene-synthase activity by interacting with the substrate-binding site of the enzyme To Be Published
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6H6J
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![BU of 6h6j by Molmil](/molmil-images/mine/6h6j) | Carbomonoxy murine neuroglobin Gly-loop mutant | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CARBON MONOXIDE, DI(HYDROXYETHYL)ETHER, ... | 著者 | Exertier, C, Vallone, B, Savino, C, Freda, I, Montemiglio, L.C, Cerutti, G, Scaglione, A, Parisi, G. | 登録日 | 2018-07-27 | 公開日 | 2019-04-10 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Proximal and distal control for ligand binding in neuroglobin: role of the CD loop and evidence for His64 gating. Sci Rep, 9, 2019
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5G5S
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![BU of 5g5s by Molmil](/molmil-images/mine/5g5s) | Structure of the Argonaute protein from Methanocaldcoccus janaschii | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ARGONAUTE, MAGNESIUM ION | 著者 | Schneider, S, Oellig, C.A, Keegan, R, Grohmann, D, Zander, A, Willkomm, S. | 登録日 | 2016-06-03 | 公開日 | 2017-02-08 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.29 Å) | 主引用文献 | Structural and mechanistic insights into an archaeal DNA-guided Argonaute protein. Nat Microbiol, 2, 2017
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5LCE
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![BU of 5lce by Molmil](/molmil-images/mine/5lce) | Thrombin in complex with (S)-1-((R)-2-amino-3-cyclohexylpropanoyl)-N-(5-chloro-2-(hydroxymethyl)benzy l)pyrrolidine-2-carboxamide | 分子名称: | (2~{S})-1-[(2~{R})-2-azanyl-3-cyclohexyl-propanoyl]-~{N}-[[5-chloranyl-2-(hydroxymethyl)phenyl]methyl]pyrrolidine-2-carboxamide, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Sandner, A, Heine, A, Klebe, G. | 登録日 | 2016-06-21 | 公開日 | 2017-07-26 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.39 Å) | 主引用文献 | Strategies for Late-Stage Optimization: Profiling Thermodynamics by Preorganization and Salt Bridge Shielding. J.Med.Chem., 62, 2019
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6H6I
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![BU of 6h6i by Molmil](/molmil-images/mine/6h6i) | Ferric murine neuroglobin Gly-loop mutant | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | 著者 | Exertier, C, Vallone, B, Savino, C, Freda, I, Montemiglio, L.C, Cerutti, G, Scaglione, A, Parisi, G. | 登録日 | 2018-07-27 | 公開日 | 2019-04-10 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Proximal and distal control for ligand binding in neuroglobin: role of the CD loop and evidence for His64 gating. Sci Rep, 9, 2019
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5LPD
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![BU of 5lpd by Molmil](/molmil-images/mine/5lpd) | Thrombin in complex with (S)-1-((R)-2-amino-3-cyclohexylpropanoyl)-N-(2-(aminomethyl)-5-chlorobenzyl) pyrrolidine-2-carboxamide | 分子名称: | (2~{S})-~{N}-[[2-(aminomethyl)-5-chloranyl-phenyl]methyl]-1-[(2~{R})-2-azanyl-3-cyclohexyl-propanoyl]pyrrolidine-2-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ... | 著者 | Sandner, A, Heine, A, Klebe, G. | 登録日 | 2016-08-12 | 公開日 | 2017-07-26 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Strategies for Late-Stage Optimization: Profiling Thermodynamics by Preorganization and Salt Bridge Shielding. J.Med.Chem., 62, 2019
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2PKA
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![BU of 2pka by Molmil](/molmil-images/mine/2pka) | REFINED 2 ANGSTROMS X-RAY CRYSTAL STRUCTURE OF PORCINE PANCREATIC KALLIKREIN A, A SPECIFIC TRYPSIN-LIKE SERINE PROTEINASE. CRYSTALLIZATION, STRUCTURE DETERMINATION, CRYSTALLOGRAPHIC REFINEMENT, STRUCTURE AND ITS COMPARISON WITH BOVINE TRYPSIN | 分子名称: | BENZAMIDINE, KALLIKREIN A | 著者 | Bode, W, Chen, Z. | 登録日 | 1984-05-21 | 公開日 | 1984-07-19 | 最終更新日 | 2024-06-05 | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | 主引用文献 | Refined 2 A X-ray crystal structure of porcine pancreatic kallikrein A, a specific trypsin-like serine proteinase. Crystallization, structure determination, crystallographic refinement, structure and its comparison with bovine trypsin. J.Mol.Biol., 164, 1983
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2YIZ
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![BU of 2yiz by Molmil](/molmil-images/mine/2yiz) | X-ray structure of Mycobacterium tuberculosis Dodecin | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, COENZYME A, ... | 著者 | Vinzenz, X, Grosse, W, Linne, U, Meissner, B, Essen, L.-O. | 登録日 | 2011-05-17 | 公開日 | 2011-10-12 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Chemical Engineering of Mycobacterium Tuberculosis Dodecin Hybrids. Chem.Commun.(Camb.), 47, 2011
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6IOS
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![BU of 6ios by Molmil](/molmil-images/mine/6ios) | The ligand binding domain of Mlp24 with proline | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, CALCIUM ION, ... | 著者 | Takahashi, Y, Sumita, K, Nishiyama, S, Kawagishi, I, Imada, K. | 登録日 | 2018-10-31 | 公開日 | 2019-03-06 | 最終更新日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | 主引用文献 | Calcium Ions Modulate Amino Acid Sensing of the Chemoreceptor Mlp24 ofVibrio cholerae. J. Bacteriol., 201, 2019
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5AKP
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![BU of 5akp by Molmil](/molmil-images/mine/5akp) | Crystal structure of the dark-adapted full-length bacteriophytochrome XccBphP from Xanthomonas campestris bound to BV chromophore | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BILIVERDINE IX ALPHA, CHLORIDE ION, ... | 著者 | Otero, L.H, Klinke, S, Goldbaum, F.A, Bonomi, H.R. | 登録日 | 2015-03-04 | 公開日 | 2016-05-04 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (3.25 Å) | 主引用文献 | Structure of the Full-Length Bacteriophytochrome from the Plant Pathogen Xanthomonas Campestris Provides Clues to its Long-Range Signaling Mechanism. J.Mol.Biol., 428, 2016
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8PQT
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![BU of 8pqt by Molmil](/molmil-images/mine/8pqt) | |
8CCR
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![BU of 8ccr by Molmil](/molmil-images/mine/8ccr) | |
6SC0
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![BU of 6sc0 by Molmil](/molmil-images/mine/6sc0) | THERMOLYSIN IN COMPLEX WITH FRAGMENT J22 | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5-methyl-~{N}-[2,2,2-tris(fluoranyl)ethyl]-1,2-oxazole-3-carboxamide, BICARBONATE ION, ... | 著者 | Magari, F, Heine, A, Klebe, G. | 登録日 | 2019-07-23 | 公開日 | 2020-08-26 | 最終更新日 | 2024-05-15 | 実験手法 | X-RAY DIFFRACTION (1.53 Å) | 主引用文献 | THERMOLYSIN IN COMPLEX WITH FRAGMENT J22 To Be Published
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7T45
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![BU of 7t45 by Molmil](/molmil-images/mine/7t45) | Structure of SARS-CoV-2 3CL protease in complex with inhibitor 7c | 分子名称: | (1S,2S)-2-{[N-({[7-(tert-butoxycarbonyl)-7-azaspiro[3.5]nonan-2-yl]oxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase, TETRAETHYLENE GLYCOL | 著者 | Lovell, S, Kashipathy, M.M, Battaile, K.P, Kankanamalage, A.C.G, Kim, Y, Groutas, W.C, Chang, K.O. | 登録日 | 2021-12-09 | 公開日 | 2021-12-22 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | Structure-Guided Design of Potent Spirocyclic Inhibitors of Severe Acute Respiratory Syndrome Coronavirus-2 3C-like Protease. J.Med.Chem., 65, 2022
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6IOU
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![BU of 6iou by Molmil](/molmil-images/mine/6iou) | The ligand binding domain of Mlp24 with serine | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, Methyl-accepting chemotaxis protein, ... | 著者 | Takahashi, Y, Sumita, K, Nishiyama, S, Kawagishi, I, Imada, K. | 登録日 | 2018-10-31 | 公開日 | 2019-03-06 | 最終更新日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Calcium Ions Modulate Amino Acid Sensing of the Chemoreceptor Mlp24 ofVibrio cholerae. J. Bacteriol., 201, 2019
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5Y7F
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![BU of 5y7f by Molmil](/molmil-images/mine/5y7f) | Crystal structure of catalytic domain of UGGT (UDP-bound form) from Thermomyces dupontii | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, UGGT, ... | 著者 | Satoh, T, Song, C, Zhu, T, Toshimori, T, Murata, K, Hayashi, Y, Kamikubo, H, Uchihashi, T, Kato, K. | 登録日 | 2017-08-17 | 公開日 | 2017-09-27 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | 主引用文献 | Visualisation of a flexible modular structure of the ER folding-sensor enzyme UGGT. Sci Rep, 7, 2017
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8CJI
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![BU of 8cji by Molmil](/molmil-images/mine/8cji) | Crystal structure of human tryptophan hydroxylase 1 in complex with inhibitor KM-07-052 | 分子名称: | FE (III) ION, Tryptophan 5-hydroxylase 1, methyl (2~{S})-2-azanyl-3-[[3-[[3-ethyl-2,6-bis(oxidanylidene)-8-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)purin-7-yl]methyl]phenyl]carbonylamino]propanoate | 著者 | Schuetz, A, Mallow, K, Nazare, M, Specker, E, Heinemann, U. | 登録日 | 2023-02-13 | 公開日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | Structure-Based Design of Xanthine-Imidazopyridines and -Imidazothiazoles as Highly Potent and In Vivo Efficacious Tryptophan Hydroxylase Inhibitors. J.Med.Chem., 66, 2023
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5TE7
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![BU of 5te7 by Molmil](/molmil-images/mine/5te7) | |
6JNA
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![BU of 6jna by Molmil](/molmil-images/mine/6jna) | Cryo-EM structure of glutamate dehydrogenase from Thermococcus profundus | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Glutamate dehydrogenase | 著者 | Oide, M, Kato, T, Oroguchi, T, Nakasako, M. | 登録日 | 2019-03-14 | 公開日 | 2020-02-12 | 最終更新日 | 2024-03-27 | 実験手法 | ELECTRON MICROSCOPY (3.8 Å) | 主引用文献 | Energy landscape of domain motion in glutamate dehydrogenase deduced from cryo-electron microscopy. Febs J., 287, 2020
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6JN9
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![BU of 6jn9 by Molmil](/molmil-images/mine/6jn9) | Cryo-EM structure of glutamate dehydrogenase from Thermococcus profundus | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Glutamate dehydrogenase | 著者 | Oide, M, Kato, T, Oroguchi, T, Nakasako, M. | 登録日 | 2019-03-14 | 公開日 | 2020-02-12 | 最終更新日 | 2024-03-27 | 実験手法 | ELECTRON MICROSCOPY (3.8 Å) | 主引用文献 | Energy landscape of domain motion in glutamate dehydrogenase deduced from cryo-electron microscopy. Febs J., 287, 2020
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6JNC
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![BU of 6jnc by Molmil](/molmil-images/mine/6jnc) | Cryo-EM structure of glutamate dehydrogenase from Thermococcus profundus | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Glutamate dehydrogenase | 著者 | Oide, M, Kato, T, Oroguchi, T, Nakasako, M. | 登録日 | 2019-03-14 | 公開日 | 2020-02-12 | 最終更新日 | 2024-03-27 | 実験手法 | ELECTRON MICROSCOPY (3.7 Å) | 主引用文献 | Energy landscape of domain motion in glutamate dehydrogenase deduced from cryo-electron microscopy. Febs J., 287, 2020
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6JND
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![BU of 6jnd by Molmil](/molmil-images/mine/6jnd) | Cryo-EM structure of glutamate dehydrogenase from Thermococcus profundus | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Glutamate dehydrogenase | 著者 | Oide, M, Kato, T, Oroguchi, T, Nakasako, M. | 登録日 | 2019-03-14 | 公開日 | 2020-02-12 | 最終更新日 | 2024-03-27 | 実験手法 | ELECTRON MICROSCOPY (3.9 Å) | 主引用文献 | Energy landscape of domain motion in glutamate dehydrogenase deduced from cryo-electron microscopy. Febs J., 287, 2020
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