6H07
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![BU of 6h07 by Molmil](/molmil-images/mine/6h07) | X-ray structure of Lactobacillus brevis alcohol dehydrogenase | 分子名称: | MAGNESIUM ION, MANGANESE (II) ION, R-specific alcohol dehydrogenase | 著者 | Hermann, J, Nowotny, P, Biggel, P, Schneider, S, Hekmat, D, Weuster-Botz, D. | 登録日 | 2018-07-06 | 公開日 | 2018-12-12 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.482 Å) | 主引用文献 | Neutron and X-ray crystal structures of Lactobacillus brevis alcohol dehydrogenase reveal new insights into hydrogen-bonding pathways. Acta Crystallogr F Struct Biol Commun, 74, 2018
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6Y1C
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![BU of 6y1c by Molmil](/molmil-images/mine/6y1c) | X-ray structure of Lactobacillus brevis alcohol dehydrogenase mutant D54F | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | 著者 | Hermann, J, Bischoff, D, Janowski, R, Niessing, D, Grob, P, Hekmat, D, Weuster-Botz, D. | 登録日 | 2020-02-11 | 公開日 | 2020-02-19 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.41 Å) | 主引用文献 | Controlling Protein Crystallization by Free Energy Guided Design of Interactions at Crystal Contacts Crystals, 11, 2021
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6Y0Z
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![BU of 6y0z by Molmil](/molmil-images/mine/6y0z) | X-ray structure of Lactobacillus brevis alcohol dehydrogenase mutant Q126K | 分子名称: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, ... | 著者 | Hermann, J, Bischoff, D, Janowski, R, Niessing, D, Grob, P, Hekmat, D, Weuster-Botz, D. | 登録日 | 2020-02-10 | 公開日 | 2020-02-19 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.21 Å) | 主引用文献 | Controlling Protein Crystallization by Free Energy Guided Design of Interactions at Crystal Contacts Crystals, 11, 2021
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6Y10
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![BU of 6y10 by Molmil](/molmil-images/mine/6y10) | X-ray structure of Lactobacillus brevis alcohol dehydrogenase mutant Q126H | 分子名称: | 1,2-ETHANEDIOL, MAGNESIUM ION, R-specific alcohol dehydrogenase | 著者 | Hermann, J, Bischoff, D, Janowski, R, Niessing, D, Grob, P, Hekmat, D, Weuster-Botz, D. | 登録日 | 2020-02-10 | 公開日 | 2020-02-19 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.22 Å) | 主引用文献 | Controlling Protein Crystallization by Free Energy Guided Design of Interactions at Crystal Contacts Crystals, 11, 2021
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6H1M
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![BU of 6h1m by Molmil](/molmil-images/mine/6h1m) | Neutron structure of Lactobacillus brevis alcohol dehydrogenase | 分子名称: | MAGNESIUM ION, MANGANESE (II) ION, R-specific alcohol dehydrogenase | 著者 | Hermann, J, Nowotny, P, Schrader, T.E, Biggel, P, Hekmat, D, Weuster-Botz, D. | 登録日 | 2018-07-12 | 公開日 | 2018-12-12 | 最終更新日 | 2024-01-24 | 実験手法 | NEUTRON DIFFRACTION (2.15 Å) | 主引用文献 | Neutron and X-ray crystal structures of Lactobacillus brevis alcohol dehydrogenase reveal new insights into hydrogen-bonding pathways. Acta Crystallogr F Struct Biol Commun, 74, 2018
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6HLF
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![BU of 6hlf by Molmil](/molmil-images/mine/6hlf) | X-ray structure of Lactobacillus brevis alcohol dehydrogenase mutant - K32A | 分子名称: | MAGNESIUM ION, MANGANESE (II) ION, R-specific alcohol dehydrogenase | 著者 | Hermann, J, Nowotny, P, Schneider, S, Hekmat, D, Weuster-Botz, D. | 登録日 | 2018-09-11 | 公開日 | 2018-12-12 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | 主引用文献 | Rational Crystal Contact Engineering of Lactobacillus brevis Alcohol Dehydrogenase To Promote Technical Protein Crystallization Cryst.Growth Des., 2019
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7A2B
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![BU of 7a2b by Molmil](/molmil-images/mine/7a2b) | X-ray structure of Lactobacillus brevis alcohol dehydrogenase mutant Q207D | 分子名称: | MAGNESIUM ION, R-specific alcohol dehydrogenase | 著者 | Bischoff, D, Hermann, J, Janowski, R, Niessing, D, Grob, P, Hekmat, D, Weuster-Botz, D. | 登録日 | 2020-08-17 | 公開日 | 2020-10-28 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.399 Å) | 主引用文献 | Controlling Protein Crystallization by Free Energy Guided Design of Interactions at Crystal Contacts Crystals, 11, 2021
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6Y15
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![BU of 6y15 by Molmil](/molmil-images/mine/6y15) | X-ray structure of Lactobacillus brevis alcohol dehydrogenase mutant T102E_Q126K | 分子名称: | 1,2-ETHANEDIOL, MAGNESIUM ION, R-specific alcohol dehydrogenase | 著者 | Hermann, J, Bischoff, D, Janowski, R, Niessing, D, Grob, P, Hekmat, D, Weuster-Botz, D. | 登録日 | 2020-02-11 | 公開日 | 2020-02-19 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Crystal Contact Engineering Enables Efficient Capture and Purification of an Oxidoreductase by Technical Crystallization. Biotechnol J, 15, 2020
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6Y1B
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![BU of 6y1b by Molmil](/molmil-images/mine/6y1b) | X-ray structure of Lactobacillus brevis alcohol dehydrogenase mutant K32A_Q126K | 分子名称: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, ... | 著者 | Hermann, J, Bischoff, D, Janowski, R, Niessing, D, Grob, P, Hekmat, D, Weuster-Botz, D. | 登録日 | 2020-02-11 | 公開日 | 2020-02-19 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | Crystal Contact Engineering Enables Efficient Capture and Purification of an Oxidoreductase by Technical Crystallization. Biotechnol J, 15, 2020
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6Y0S
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![BU of 6y0s by Molmil](/molmil-images/mine/6y0s) | X-ray structure of Lactobacillus brevis alcohol dehydrogenase mutant T102E | 分子名称: | MAGNESIUM ION, R-specific alcohol dehydrogenase | 著者 | Hermann, J, Bischoff, D, Janowski, R, Niessing, D, Grob, P, Hekmat, D, Weuster-Botz, D. | 登録日 | 2020-02-10 | 公開日 | 2020-02-19 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.44 Å) | 主引用文献 | Crystal Contact Engineering Enables Efficient Capture and Purification of an Oxidoreductase by Technical Crystallization. Biotechnol J, 15, 2020
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6QBS
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![BU of 6qbs by Molmil](/molmil-images/mine/6qbs) | The Alkyne Moiety as a Latent Electrophile in Irreversible Covalent Small Molecule Inhibitors of Cathepsin K | 分子名称: | (2~{S})-4-methyl-~{N}-prop-2-enyl-2-[[(1~{S})-2,2,2-tris(fluoranyl)-1-[4-(4-methylsulfonylphenyl)phenyl]ethyl]amino]pentanamide, CALCIUM ION, CHLORIDE ION, ... | 著者 | Mons, E, Jansen, I.D.C, Loboda, J, van Doodewaerd, B.R, Verdoes, M, van Boeckel, C.A.A, van Veelen, P.A, Turk, B, Turk, D, Hermans, J, Ovaa, H. | 登録日 | 2018-12-21 | 公開日 | 2019-02-06 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | The Alkyne Moiety as a Latent Electrophile in Irreversible Covalent Small Molecule Inhibitors of Cathepsin K. J. Am. Chem. Soc., 141, 2019
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3TEO
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![BU of 3teo by Molmil](/molmil-images/mine/3teo) | APO Form of carbon disulfide hydrolase (selenomethionine form) | 分子名称: | 3,6,9,12,15,18,21,24,27,30,33,36,39-TRIDECAOXAHENTETRACONTANE-1,41-DIOL, CHLORIDE ION, Carbon disulfide hydrolase | 著者 | Smeulders, M.J, Barends, T.R.M.B, Pol, A, Scherer, A, Zandvoort, M.H, Udvarhelyi, A, Khadem, A, Menzel, A, Hermans, J, Shoeman, R.L, Wessels, H.J.C.T, van den Heuvel, L.P, Russ, L, Schlichting, I, Jetten, M.S.M, Op den Camp, H.J.M. | 登録日 | 2011-08-15 | 公開日 | 2011-10-19 | 最終更新日 | 2017-11-08 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Evolution of a new enzyme for carbon disulphide conversion by an acidothermophilic archaeon. Nature, 478, 2011
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3TEN
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![BU of 3ten by Molmil](/molmil-images/mine/3ten) | Holo form of carbon disulfide hydrolase | 分子名称: | CS2 hydrolase, ZINC ION | 著者 | Smeulders, M.J, Barends, T.R.M.B, Pol, A, Scherer, A, Zandvoort, M.H, Udvarhelyi, A, Khadem, A, Menzel, A, Hermans, J, Shoeman, R.L, Wessels, H.J.C.T, van den Heuvel, L.P, Russ, L, Schlichting, I, Jetten, M.S.M, Op den Camp, H.J.M. | 登録日 | 2011-08-15 | 公開日 | 2011-10-19 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Evolution of a new enzyme for carbon disulphide conversion by an acidothermophilic archaeon. Nature, 478, 2011
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7BMK
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![BU of 7bmk by Molmil](/molmil-images/mine/7bmk) | ATP-Competitive Partial Antagonists-'PAIR's-Rheostatically Modulate IRE1alpha's Kinase Helix-alphaC to Segregate its RNase-Mediated Biological Outputs | 分子名称: | 1,2-ETHANEDIOL, 2,2,2-tris(fluoranyl)-~{N}-[4-[3-[2-[[(3~{S})-piperidin-3-yl]amino]pyrimidin-4-yl]pyridin-2-yl]oxynaphthalen-1-yl]ethanesulfonamide, DI(HYDROXYETHYL)ETHER, ... | 著者 | Feldman, H.C, Ghosh, R, Auyeung, V, Mueller, J.L, Vidadala, V.N, Olivier, A, Backes, B.J, Zikherman, J, Papa, F.R, Maly, D.J. | 登録日 | 2021-01-20 | 公開日 | 2021-09-29 | 最終更新日 | 2024-06-19 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | ATP-competitive partial antagonists of the IRE1 alpha RNase segregate outputs of the UPR. Nat.Chem.Biol., 17, 2021
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8SKY
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![BU of 8sky by Molmil](/molmil-images/mine/8sky) | Crystal structure of YisK from Bacillus subtilis in complex with oxalate | 分子名称: | Fumarylacetoacetate hydrolase family protein, MANGANESE (II) ION, OXALATE ION | 著者 | Krieger, I.V, Chemelewski, V, Guo, T, Sperber, A, Herman, J, Sacchettini, J.C. | 登録日 | 2023-04-20 | 公開日 | 2023-11-01 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Bacillus subtilis YisK possesses oxaloacetate decarboxylase activity and exhibits Mbl-dependent localization. J.Bacteriol., 206, 2024
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8SUT
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![BU of 8sut by Molmil](/molmil-images/mine/8sut) | Crystal structure of YisK from Bacillus subtilis in complex with reaction product 4-Hydroxy-2-oxoglutaric acid | 分子名称: | (2~{R})-2-oxidanyl-4-oxidanylidene-pentanedioic acid, Fumarylacetoacetate hydrolase family protein, MANGANESE (II) ION | 著者 | Krieger, I.V, Chemelewski, V, Guo, T, Sperber, A, Herman, J, Sacchettini, J.C. | 登録日 | 2023-05-13 | 公開日 | 2023-11-01 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.93 Å) | 主引用文献 | Bacillus subtilis YisK possesses oxaloacetate decarboxylase activity and exhibits Mbl-dependent localization. J.Bacteriol., 206, 2024
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8SUU
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![BU of 8suu by Molmil](/molmil-images/mine/8suu) | Crystal structure of YisK from Bacillus subtilis in apo form | 分子名称: | Fumarylacetoacetate hydrolase family protein, MANGANESE (II) ION | 著者 | Krieger, I.V, Chemelewski, V, Guo, T, Sperber, A, Herman, J, Sacchettini, J.C. | 登録日 | 2023-05-13 | 公開日 | 2023-11-01 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.26 Å) | 主引用文献 | Bacillus subtilis YisK possesses oxaloacetate decarboxylase activity and exhibits Mbl-dependent localization. J.Bacteriol., 206, 2024
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6GL3
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![BU of 6gl3 by Molmil](/molmil-images/mine/6gl3) | Crystal structure of human Phosphatidylinositol 4-kinase III beta (PI4KIIIbeta) in complex with ligand 44 | 分子名称: | (3~{S})-4-(6-azanyl-1-methyl-pyrazolo[3,4-d]pyrimidin-4-yl)-~{N}-(4-methoxy-2-methyl-phenyl)-3-methyl-piperazine-1-carboxamide, Phosphatidylinositol 4-kinase beta,Phosphatidylinositol 4-kinase beta | 著者 | Lammens, A, Augustin, M, Steinbacher, S, Reuberson, J. | 登録日 | 2018-05-22 | 公開日 | 2018-08-15 | 最終更新日 | 2024-05-15 | 実験手法 | X-RAY DIFFRACTION (2.77 Å) | 主引用文献 | Discovery of a Potent, Orally Bioavailable PI4KIII beta Inhibitor (UCB9608) Able To Significantly Prolong Allogeneic Organ Engraftment in Vivo. J. Med. Chem., 61, 2018
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1NXB
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![BU of 1nxb by Molmil](/molmil-images/mine/1nxb) | |
4IZY
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![BU of 4izy by Molmil](/molmil-images/mine/4izy) | |
4I6Q
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![BU of 4i6q by Molmil](/molmil-images/mine/4i6q) | JAK3 kinase domain in complex with 2-Phenoxy-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid ((S)-1-cyclopropyl-ethyl)-amide | 分子名称: | 1-phenylurea, N-[(1S)-1-cyclopropylethyl]-2-phenoxy-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide, Tyrosine-protein kinase JAK3 | 著者 | Kuglstatter, A, Shao, A. | 登録日 | 2012-11-30 | 公開日 | 2013-10-16 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Discovery of a series of novel 5H-pyrrolo[2,3-b]pyrazine-2-phenyl ethers, as potent JAK3 kinase inhibitors. Bioorg.Med.Chem.Lett., 23, 2013
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3ZEP
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![BU of 3zep by Molmil](/molmil-images/mine/3zep) | Crystal Structure of JAK3 Kinase Domain in Complex with a Pyrrolopyrazine-2-phenyl Ether Inhibitor | 分子名称: | 2-[[(3R)-3-acetamido-2,3-dihydro-1H-inden-5-yl]oxy]-N-[(1S)-1-cyclopropylethyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide, GLYCEROL, TYROSINE-PROTEIN KINASE JAK3 | 著者 | Kuglstatter, A, Jestel, A, Nagel, S, Boettcher, J, Blaesse, M. | 登録日 | 2012-12-06 | 公開日 | 2013-12-11 | 最終更新日 | 2016-09-14 | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | 主引用文献 | Discovery of a Series of Novel 5H-Pyrrolo[2,3-B]Pyrazine-2-Phenyl Ethers, as Potent Jak3 Kinase Inhibitors. Bioorg.Med.Chem.Lett., 23, 2013
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