6M5E
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![BU of 6m5e by Molmil](/molmil-images/mine/6m5e) | Human serum albumin with cyclic peptide dalbavancin | 分子名称: | (2S,5S)-5-azanyl-3,4,6-tris(oxidanyl)oxane-2-carboxylic acid, 10-METHYLUNDECANOIC ACID, 2-amino-2-deoxy-beta-D-altropyranuronic acid, ... | 著者 | Ito, S, Senoo, A, Nagatoishi, S, Ohue, M, Yamamoto, M, Tsumoto, K, Wakui, N. | 登録日 | 2020-03-10 | 公開日 | 2020-11-18 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Structural Basis for the Binding Mechanism of Human Serum Albumin Complexed with Cyclic Peptide Dalbavancin. J.Med.Chem., 63, 2020
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3WG7
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![BU of 3wg7 by Molmil](/molmil-images/mine/3wg7) | A 1.9 angstrom radiation damage free X-ray structure of large (420KDa) protein by femtosecond crystallography | 分子名称: | (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(STEAROYLOXY)METHYL]ETHYL (5E,8E,11E,14E)-ICOSA-5,8,11,14-TETRAENOATE, (7R,17E,20E)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSA-17,20-DIEN-1-AMINIUM 4-OXIDE, ... | 著者 | Hirata, K, Shinzawa-Itoh, K, Yano, N, Takemura, S, Kato, K, Hatanaka, M, Muramoto, K, Kawahara, T, Tsukihara, T, Yamashita, E, Tono, K, Ueno, G, Hikima, T, Murakami, H, Inubushi, Y, Yabashi, M, Ishikawa, T, Yamamoto, M, Ogura, T, Sugimoto, H, Shen, J.R, Yoshikawa, S, Ago, H. | 登録日 | 2013-07-29 | 公開日 | 2014-04-30 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Determination of damage-free crystal structure of an X-ray-sensitive protein using an XFEL. Nat.Methods, 11, 2014
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2ZBZ
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![BU of 2zbz by Molmil](/molmil-images/mine/2zbz) | Crystal structure of vitamin D hydroxylase cytochrome P450 105A1 (R84A mutant) in complex with 1,25-dihydroxyvitamin D3 | 分子名称: | 5-{2-[1-(5-HYDROXY-1,5-DIMETHYL-HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-CYCLOHEXANE-1,3-DIOL, Cytochrome P450-SU1, PROTOPORPHYRIN IX CONTAINING FE | 著者 | Sugimoto, H, Shinkyo, R, Hayashi, K, Yoneda, S, Yamada, M, Kamakura, M, Ikushiro, S, Shiro, Y, Sakaki, T. | 登録日 | 2007-10-30 | 公開日 | 2008-04-08 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Crystal Structure of CYP105A1 (P450SU-1) in Complex with 1alpha,25-Dihydroxyvitamin D3 Biochemistry, 47, 2008
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8WOP
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![BU of 8wop by Molmil](/molmil-images/mine/8wop) | Crystal structure of Arabidopsis thaliana UDP-glucose 4-epimerase 2 (AtUGE2) complexed with UDP, wild-type | 分子名称: | NICOTINAMIDE-ADENINE-DINUCLEOTIDE, UDP-glucose 4-epimerase 2, URIDINE-5'-DIPHOSPHATE | 著者 | Matsumoto, M, Umezawa, A, Kotake, T, Fushinobu, S. | 登録日 | 2023-10-07 | 公開日 | 2024-05-08 | 最終更新日 | 2024-07-10 | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | 主引用文献 | Cytosolic UDP-L-arabinose synthesis by bifunctional UDP-glucose 4-epimerases in Arabidopsis. Plant J., 119, 2024
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8WOV
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![BU of 8wov by Molmil](/molmil-images/mine/8wov) | Crystal structure of Arabidopsis thaliana UDP-glucose 4-epimerase 2 (AtUGE2) complexed with UDP, G233A mutant | 分子名称: | NICOTINAMIDE-ADENINE-DINUCLEOTIDE, UDP-glucose 4-epimerase 2, URIDINE-5'-DIPHOSPHATE | 著者 | Matsumoto, M, Umezawa, A, Kotake, T, Fushinobu, S. | 登録日 | 2023-10-07 | 公開日 | 2024-05-15 | 最終更新日 | 2024-07-10 | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | 主引用文献 | Cytosolic UDP-L-arabinose synthesis by bifunctional UDP-glucose 4-epimerases in Arabidopsis. Plant J., 119, 2024
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8WOW
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![BU of 8wow by Molmil](/molmil-images/mine/8wow) | Crystal structure of Arabidopsis thaliana UDP-glucose 4-epimerase 2 (AtUGE2) complexed with UDP, I160L/G233A mutant | 分子名称: | NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SULFATE ION, UDP-glucose 4-epimerase 2, ... | 著者 | Matsumoto, M, Umezawa, A, Kotake, T, Fushinobu, S. | 登録日 | 2023-10-08 | 公開日 | 2024-05-15 | 最終更新日 | 2024-07-10 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Cytosolic UDP-L-arabinose synthesis by bifunctional UDP-glucose 4-epimerases in Arabidopsis. Plant J., 119, 2024
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4JY7
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![BU of 4jy7 by Molmil](/molmil-images/mine/4jy7) | Crystal structure of Acinetobacter baumannii Peptidyl-tRNA Hydrolase | 分子名称: | 1,2-ETHANEDIOL, ACETATE ION, DI(HYDROXYETHYL)ETHER, ... | 著者 | Yamini, S, Kaushik, S, Sinha, M, Kaur, P, Sharma, S, Singh, T.P. | 登録日 | 2013-03-29 | 公開日 | 2013-04-17 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | The Mode of Inhibitor Binding to Peptidyl-tRNA Hydrolase: Binding Studies and Structure Determination of Unbound and Bound Peptidyl-tRNA Hydrolase from Acinetobacter baumannii Plos One, 8, 2013
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2ZBY
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![BU of 2zby by Molmil](/molmil-images/mine/2zby) | Crystal structure of vitamin D hydroxylase cytochrome P450 105A1 (R84A mutant) | 分子名称: | Cytochrome P450-SU1, PROTOPORPHYRIN IX CONTAINING FE | 著者 | Sugimoto, H, Shinkyo, R, Hayashi, K, Yoneda, S, Yamada, M, Kamakura, M, Ikushiro, S, Shiro, Y, Sakaki, T. | 登録日 | 2007-10-30 | 公開日 | 2008-04-08 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Crystal Structure of CYP105A1 (P450SU-1) in Complex with 1alpha,25-Dihydroxyvitamin D3 Biochemistry, 47, 2008
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6M5D
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![BU of 6m5d by Molmil](/molmil-images/mine/6m5d) | Human serum albumin (apo form) | 分子名称: | PHOSPHATE ION, Serum albumin | 著者 | Ito, S, Senoo, A, Nagatoishi, S, Yamamoto, M, Tsumoto, K, Wakui, N. | 登録日 | 2020-03-10 | 公開日 | 2020-11-18 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Structural Basis for the Binding Mechanism of Human Serum Albumin Complexed with Cyclic Peptide Dalbavancin. J.Med.Chem., 63, 2020
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6LK4
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![BU of 6lk4 by Molmil](/molmil-images/mine/6lk4) | Crystal structure of GMP reductase from Trypanosoma brucei in complex with guanosine 5'-triphosphate | 分子名称: | GUANOSINE-5'-TRIPHOSPHATE, Guanosine 5'-monophosphate Reductase, PHOSPHATE ION | 著者 | Mase, H, Otani, T, Imamura, A, Nishimura, S, Inui, T. | 登録日 | 2019-12-18 | 公開日 | 2020-03-18 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.503 Å) | 主引用文献 | Allosteric regulation accompanied by oligomeric state changes of Trypanosoma brucei GMP reductase through cystathionine-beta-synthase domain. Nat Commun, 11, 2020
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5Z76
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![BU of 5z76 by Molmil](/molmil-images/mine/5z76) | Artificial L-threonine 3-dehydrogenase designed by full consensus design | 分子名称: | Artificial L-threonine 3-dehydrogenase | 著者 | Nakano, S, Motoyama, T, Miyashita, Y, Ishizuka, Y, Matsuo, N, Tokiwa, H, Shinoda, S, Asano, Y, Ito, S. | 登録日 | 2018-01-27 | 公開日 | 2018-08-22 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Benchmark Analysis of Native and Artificial NAD+-Dependent Enzymes Generated by a Sequence-Based Design Method with or without Phylogenetic Data. Biochemistry, 57, 2018
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4IVA
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![BU of 4iva by Molmil](/molmil-images/mine/4iva) | JAK2 kinase (JH1 domain) in complex with the inhibitor TRANS-4-[(8AS)-2-[(1R)-1-HYDROXYETHYL]IMIDAZO[4,5-D]PYRROLO[2,3-B]PYRIDIN-1(8AH)-YL]CYCLOHEXANECARBONITRILE | 分子名称: | Tyrosine-protein kinase JAK2, trans-4-{2-[(1R)-1-hydroxyethyl]imidazo[4,5-d]pyrrolo[2,3-b]pyridin-1(6H)-yl}cyclohexanecarbonitrile | 著者 | Eigenbrot, C, Shia, S. | 登録日 | 2013-01-22 | 公開日 | 2013-05-22 | 最終更新日 | 2023-12-06 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Identification of C-2 Hydroxyethyl Imidazopyrrolopyridines as Potent JAK1 Inhibitors with Favorable Physicochemical Properties and High Selectivity over JAK2. J.Med.Chem., 56, 2013
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6IOT
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![BU of 6iot by Molmil](/molmil-images/mine/6iot) | The ligand binding domain of Mlp24 with arginine | 分子名称: | ARGININE, 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 | 2019-03-20 | 最終更新日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (2.7 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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5Z75
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![BU of 5z75 by Molmil](/molmil-images/mine/5z75) | Artificial L-threonine 3-dehydrogenase designed by ancestral sequence reconstruction. | 分子名称: | Artificial L-threonine 3-dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, NONAETHYLENE GLYCOL, ... | 著者 | Nakano, S, Motoyama, T, Miyashita, Y, Ishizuka, Y, Matsuo, N, Tokiwa, H, Shinoda, S, Asano, Y, Ito, S. | 登録日 | 2018-01-27 | 公開日 | 2018-08-22 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Benchmark Analysis of Native and Artificial NAD+-Dependent Enzymes Generated by a Sequence-Based Design Method with or without Phylogenetic Data. Biochemistry, 57, 2018
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6IOR
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![BU of 6ior by Molmil](/molmil-images/mine/6ior) | The ligand binding domain of Mlp24 with asparagine | 分子名称: | ASPARAGINE, 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 | 2019-03-20 | 最終更新日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (2.5 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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2ZBX
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![BU of 2zbx by Molmil](/molmil-images/mine/2zbx) | Crystal structure of vitamin D hydroxylase cytochrome P450 105A1 (wild type) with imidazole bound | 分子名称: | Cytochrome P450-SU1, IMIDAZOLE, PROTOPORPHYRIN IX CONTAINING FE | 著者 | Sugimoto, H, Shinkyo, R, Hayashi, K, Yoneda, S, Yamada, M, Kamakura, M, Ikushiro, S, Shiro, Y, Sakaki, T. | 登録日 | 2007-10-30 | 公開日 | 2008-04-08 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Crystal Structure of CYP105A1 (P450SU-1) in Complex with 1alpha,25-Dihydroxyvitamin D3 Biochemistry, 47, 2008
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3X3B
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![BU of 3x3b by Molmil](/molmil-images/mine/3x3b) | Crystal structure of the light-driven sodium pump KR2 in acidic state | 分子名称: | DI(HYDROXYETHYL)ETHER, OLEIC ACID, RETINAL, ... | 著者 | Kato, H.E, Inoue, K, Abe-Yoshizumi, R, Kato, Y, Ono, H, Konno, M, Ishizuka, T, Hoque, M.R, Hososhima, S, Kunitomo, H, Ito, J, Yoshizawa, S, Yamashita, K, Takemoto, M, Nishizawa, T, Taniguchi, R, Kogure, K, Maturana, A.D, Iino, Y, Yawo, H, Ishitani, R, Kandori, H, Nureki, O. | 登録日 | 2015-01-18 | 公開日 | 2015-04-08 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Structural basis for Na(+) transport mechanism by a light-driven Na(+) pump Nature, 521, 2015
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3X3C
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![BU of 3x3c by Molmil](/molmil-images/mine/3x3c) | Crystal structure of the light-driven sodium pump KR2 in neutral state | 分子名称: | OLEIC ACID, RETINAL, Sodium pumping rhodopsin | 著者 | Kato, H.E, Inoue, K, Abe-Yoshizumi, R, Kato, Y, Ono, H, Konno, M, Ishizuka, T, Hoque, M.R, Hososhima, S, Kunitomo, H, Ito, J, Yoshizawa, S, Yamashita, K, Takemoto, M, Nishizawa, T, Taniguchi, R, Kogure, K, Maturana, A.D, Iino, Y, Yawo, H, Ishitani, R, Kandori, H, Nureki, O. | 登録日 | 2015-01-18 | 公開日 | 2015-04-08 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Structural basis for Na(+) transport mechanism by a light-driven Na(+) pump Nature, 521, 2015
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4IVC
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![BU of 4ivc by Molmil](/molmil-images/mine/4ivc) | JAK1 kinase (JH1 domain) in complex with the inhibitor (TRANS-4-{2-[(1R)-1-HYDROXYETHYL]IMIDAZO[4,5-D]PYRROLO[2,3-B]PYRIDIN-1(6H)-YL}CYCLOHEXYL)ACETONITRILE | 分子名称: | (trans-4-{2-[(1R)-1-hydroxyethyl]imidazo[4,5-d]pyrrolo[2,3-b]pyridin-1(6H)-yl}cyclohexyl)acetonitrile, Tyrosine-protein kinase JAK1 | 著者 | Eigenbrot, C, Shia, S. | 登録日 | 2013-01-22 | 公開日 | 2013-05-22 | 最終更新日 | 2023-12-06 | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | 主引用文献 | Identification of C-2 Hydroxyethyl Imidazopyrrolopyridines as Potent JAK1 Inhibitors with Favorable Physicochemical Properties and High Selectivity over JAK2. J.Med.Chem., 56, 2013
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3AXG
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![BU of 3axg by Molmil](/molmil-images/mine/3axg) | Structure of 6-aminohexanoate-oligomer hydrolase | 分子名称: | Endotype 6-aminohexanoat-oligomer hydrolase, SODIUM ION | 著者 | Negoro, S, Shibata, N, Tanaka, Y, Yasuhira, K, Shibata, H, Hashimoto, H, Lee, Y.H, Ohshima, S, Santa, R, Mochiji, K, Goto, Y, Ikegami, T, Nagai, K, Kato, D, Takeo, M, Higuchi, Y. | 登録日 | 2011-04-04 | 公開日 | 2011-12-21 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Three-dimensional structure of nylon hydrolase and mechanism of nylon-6 hydrolysis J.Biol.Chem., 287, 2012
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2LC2
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![BU of 2lc2 by Molmil](/molmil-images/mine/2lc2) | Solution structure of the RXLR effector P. capsici AVR3a4 | 分子名称: | AVR3a4 | 著者 | Li, H, Koshiba, S, Yaeno, T, Sato, M, Watanabe, S, Harada, T, Shirasu, K, Kigawa, T. | 登録日 | 2011-04-12 | 公開日 | 2011-08-03 | 最終更新日 | 2024-05-15 | 実験手法 | SOLUTION NMR | 主引用文献 | A PIP-binding interface in the oomycete RXLR effector AVR3A is required for its accumulation in host cells to modulate plant immunity To be Published
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6A0L
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![BU of 6a0l by Molmil](/molmil-images/mine/6a0l) | Cyclic alpha-maltosyl-(1-->6)-maltose hydrolase from Arthrobacter globiformis, complex with maltose | 分子名称: | Cyclic maltosyl-maltose hydrolase, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose | 著者 | Kohno, M, Arakawa, T, Mori, T, Nishimoto, T, Fushinobu, S. | 登録日 | 2018-06-05 | 公開日 | 2018-09-12 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Structural features of a bacterial cyclic alpha-maltosyl-(1→6)-maltose (CMM) hydrolase critical for CMM recognition and hydrolysis. J. Biol. Chem., 293, 2018
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5ZXG
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![BU of 5zxg by Molmil](/molmil-images/mine/5zxg) | Cyclic alpha-maltosyl-(1-->6)-maltose hydrolase from Arthrobacter globiformis, ligand-free form | 分子名称: | CALCIUM ION, Cyclic maltosyl-maltose hydrolase | 著者 | Kohno, M, Arakawa, T, Mori, T, Nishimoto, T, Fushinobu, S. | 登録日 | 2018-05-20 | 公開日 | 2018-09-12 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Structural features of a bacterial cyclic alpha-maltosyl-(1→6)-maltose (CMM) hydrolase critical for CMM recognition and hydrolysis. J. Biol. Chem., 293, 2018
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6A0J
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![BU of 6a0j by Molmil](/molmil-images/mine/6a0j) | Cyclic alpha-maltosyl-(1-->6)-maltose hydrolase from Arthrobacter globiformis, complex with Cyclic alpha-maltosyl-(1-->6)-maltose | 分子名称: | CALCIUM ION, Cyclic alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-6)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, Cyclic maltosyl-maltose hydrolase | 著者 | Kohno, M, Arakawa, T, Mori, T, Nishimoto, T, Fushinobu, S. | 登録日 | 2018-06-05 | 公開日 | 2018-09-12 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Structural features of a bacterial cyclic alpha-maltosyl-(1→6)-maltose (CMM) hydrolase critical for CMM recognition and hydrolysis. J. Biol. Chem., 293, 2018
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3VJL
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![BU of 3vjl by Molmil](/molmil-images/mine/3vjl) | Crystal structure of human depiptidyl peptidase IV (DPP-4) in complex with a prolylthiazolidine inhibitor #2 | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Dipeptidyl peptidase 4, ... | 著者 | Akahoshi, F, Kishida, H, Miyaguchi, I, Yoshida, T, Ishii, S. | 登録日 | 2011-10-24 | 公開日 | 2012-10-24 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.393 Å) | 主引用文献 | Discovery and preclinical profile of teneligliptin (3-[(2S,4S)-4-[4-(3-methyl-1-phenyl-1H-pyrazol-5-yl)piperazin-1-yl]pyrrolidin-2-ylcarbonyl]thiazolidine): A highly potent, selective, long-lasting and orally active dipeptidyl peptidase IV inhibitor for the treatment of type 2 diabetes Bioorg.Med.Chem., 20, 2012
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