3WPY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3wpy by Molmil](/molmil-images/mine/3wpy) | Microbacterium saccharophilum K-1 beta-fructofuranosidase mutant T47S/S200T/F447V/P500S | Descriptor: | Beta-fructofuranosidase | Authors: | Yokoi, G, Mori, M, Sato, S, Miyazaki, T, Nishikawa, A, Tonozuka, T. | Deposit date: | 2014-01-17 | Release date: | 2014-03-12 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Enhancing thermostability and the structural characterization of Microbacterium saccharophilum K-1 beta-fructofuranosidase Appl.Microbiol.Biotechnol., 98, 2014
|
|
3WPZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3wpz by Molmil](/molmil-images/mine/3wpz) | Microbacterium saccharophilum K-1 beta-fructofuranosidase mutant T47S/S200T/F447P/F470Y/P500S | Descriptor: | Beta-fructofuranosidase | Authors: | Yokoi, G, Mori, M, Sato, S, Miyazaki, T, Nishikawa, A, Tonozuka, T. | Deposit date: | 2014-01-17 | Release date: | 2014-03-12 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.27 Å) | Cite: | Enhancing thermostability and the structural characterization of Microbacterium saccharophilum K-1 beta-fructofuranosidase Appl.Microbiol.Biotechnol., 98, 2014
|
|
3VOF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3vof by Molmil](/molmil-images/mine/3vof) | Cellobiohydrolase mutant, CcCel6C D102A, in the closed form | Descriptor: | Cellobiohydrolase, beta-D-glucopyranose | Authors: | Tamura, M, Miyazaki, T, Tanaka, Y, Yoshida, M, Nishikawa, A, Tonozuka, T. | Deposit date: | 2012-01-23 | Release date: | 2012-03-21 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Comparison of the structural changes in two cellobiohydrolases, CcCel6A and CcCel6C, from Coprinopsis cinerea - a tweezer-like motion in the structure of CcCel6C Febs J., 279, 2012
|
|
3VOH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3voh by Molmil](/molmil-images/mine/3voh) | CcCel6A catalytic domain complexed with cellobiose | Descriptor: | Cellobiohydrolase, beta-D-glucopyranose, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose, ... | Authors: | Tamura, M, Miyazaki, T, Tanaka, Y, Yoshida, M, Nishikawa, A, Tonozuka, T. | Deposit date: | 2012-01-24 | Release date: | 2012-03-21 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Comparison of the structural changes in two cellobiohydrolases, CcCel6A and CcCel6C, from Coprinopsis cinerea - a tweezer-like motion in the structure of CcCel6C Febs J., 279, 2012
|
|
3VOJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3voj by Molmil](/molmil-images/mine/3voj) | CcCel6A catalytic domain mutant D164A | Descriptor: | Cellobiohydrolase | Authors: | Tamura, M, Miyazaki, T, Tanaka, Y, Yoshida, M, Nishikawa, A, Tonozuka, T. | Deposit date: | 2012-01-24 | Release date: | 2012-03-21 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.29 Å) | Cite: | Comparison of the structural changes in two cellobiohydrolases, CcCel6A and CcCel6C, from Coprinopsis cinerea - a tweezer-like motion in the structure of CcCel6C Febs J., 279, 2012
|
|
3VOG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3vog by Molmil](/molmil-images/mine/3vog) | Catalytic domain of the cellobiohydrolase, CcCel6A, from Coprinopsis cinerea | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Cellobiohydrolase | Authors: | Tamura, M, Miyazaki, T, Tanaka, Y, Yoshida, M, Nishikawa, A, Tonozuka, T. | Deposit date: | 2012-01-24 | Release date: | 2012-03-21 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Comparison of the structural changes in two cellobiohydrolases, CcCel6A and CcCel6C, from Coprinopsis cinerea - a tweezer-like motion in the structure of CcCel6C Febs J., 279, 2012
|
|
3VOI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3voi by Molmil](/molmil-images/mine/3voi) | CcCel6A catalytic domain complexed with p-nitrophenyl beta-D-cellotrioside | Descriptor: | 4-nitrophenyl beta-D-glucopyranosyl-(1->4)-beta-D-glucopyranosyl-(1->4)-beta-D-glucopyranoside, Cellobiohydrolase, MAGNESIUM ION | Authors: | Tamura, M, Miyazaki, T, Tanaka, Y, Yoshida, M, Nishikawa, A, Tonozuka, T. | Deposit date: | 2012-01-24 | Release date: | 2012-03-21 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Comparison of the structural changes in two cellobiohydrolases, CcCel6A and CcCel6C, from Coprinopsis cinerea - a tweezer-like motion in the structure of CcCel6C Febs J., 279, 2012
|
|
3WZ1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3wz1 by Molmil](/molmil-images/mine/3wz1) | Catalytic domain of beta-agarase from Microbulbifer thermotolerans JAMB-A94 | Descriptor: | Agarase, GLYCEROL, SODIUM ION | Authors: | Takagi, E, Hatada, Y, Akita, M, Ohta, Y, Yokoi, G, Miyazaki, T, Nishikawa, A, Tonozuka, T. | Deposit date: | 2014-09-12 | Release date: | 2014-11-19 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Crystal structure of the catalytic domain of a GH16 beta-agarase from a deep-sea bacterium, Microbulbifer thermotolerans JAMB-A94 Biosci.Biotechnol.Biochem., 79, 2015
|
|
3APD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3apd by Molmil](/molmil-images/mine/3apd) | Crystal structure of human PI3K-gamma in complex with CH5108134 | Descriptor: | 5-(2-Morpholin-4-yl-7-pyridin-3-yl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl)-pyrimidin-2-ylamine, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION | Authors: | Nakamura, M, Fukami, T.A, Miyazaki, T, Yoshida, M. | Deposit date: | 2010-10-14 | Release date: | 2011-04-13 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Discovery and biological activity of a novel class I PI3K inhibitor, CH5132799 Bioorg.Med.Chem.Lett., 21, 2011
|
|
3APC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3apc by Molmil](/molmil-images/mine/3apc) | Crystal structure of human PI3K-gamma in complex with CH5132799 | Descriptor: | 5-(7-Methanesulfonyl-2-morpholin-4-yl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl)-pyrimidin-2-ylamine, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION | Authors: | Nakamura, M, Fukami, T.A, Miyazaki, T, Yoshida, M. | Deposit date: | 2010-10-14 | Release date: | 2011-04-13 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.544 Å) | Cite: | Discovery and biological activity of a novel class I PI3K inhibitor, CH5132799 Bioorg.Med.Chem.Lett., 21, 2011
|
|
3APF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3apf by Molmil](/molmil-images/mine/3apf) | Crystal structure of human PI3K-gamma in complex with CH5039699 | Descriptor: | 3-[7-(1H-benzimidazol-5-yl)-2-(morpholin-4-yl)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]phenol, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION | Authors: | Nakamura, M, Fukami, T.A, Miyazaki, T, Yoshida, M. | Deposit date: | 2010-10-14 | Release date: | 2011-04-13 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.82 Å) | Cite: | Discovery and biological activity of a novel class I PI3K inhibitor, CH5132799 Bioorg.Med.Chem.Lett., 21, 2011
|
|
3W7T
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3w7t by Molmil](/molmil-images/mine/3w7t) | Escherichia coli K12 YgjK complexed with mannose | Descriptor: | CALCIUM ION, MAGNESIUM ION, Uncharacterized protein YgjK, ... | Authors: | Miyazaki, T, Kurakata, Y, Uechi, A, Yoshida, H, Kamitori, S, Sakano, Y, Nishikawa, A, Tonozuka, T. | Deposit date: | 2013-03-06 | Release date: | 2013-04-03 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structural insights into the substrate specificity and function of Escherichia coli K12 YgjK, a glucosidase belonging to the glycoside hydrolase family 63. J.Mol.Biol., 381, 2008
|
|
3W7S
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3w7s by Molmil](/molmil-images/mine/3w7s) | Escherichia coli K12 YgjK complexed with glucose | Descriptor: | CALCIUM ION, Uncharacterized protein YgjK, alpha-D-glucopyranose | Authors: | Miyazaki, T, Kurakata, Y, Uechi, A, Yoshida, H, Kamitori, S, Sakano, Y, Nishikawa, A, Tonozuka, T. | Deposit date: | 2013-03-06 | Release date: | 2013-04-03 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural insights into the substrate specificity and function of Escherichia coli K12 YgjK, a glucosidase belonging to the glycoside hydrolase family 63. J.Mol.Biol., 381, 2008
|
|
3W7U
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3w7u by Molmil](/molmil-images/mine/3w7u) | Escherichia coli K12 YgjK complexed with galactose | Descriptor: | CALCIUM ION, Uncharacterized protein YgjK, alpha-D-galactopyranose | Authors: | Miyazaki, T, Kurakata, Y, Uechi, A, Yoshida, H, Kamitori, S, Sakano, Y, Nishikawa, A, Tonozuka, T. | Deposit date: | 2013-03-06 | Release date: | 2013-04-03 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Structural insights into the substrate specificity and function of Escherichia coli K12 YgjK, a glucosidase belonging to the glycoside hydrolase family 63. J.Mol.Biol., 381, 2008
|
|
4FC0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4fc0 by Molmil](/molmil-images/mine/4fc0) | Crystal Structure of Human Kinase Domain of B-raf with a DFG-out Inhibitor | Descriptor: | 2-chloro-3-[(2-cyanopropan-2-yl)oxy]-N-{5-[{2-[(cyclopropylcarbonyl)amino][1,3]thiazolo[5,4-b]pyridin-5-yl}(methyl)amino]-2-fluorophenyl}benzamide, Serine/threonine-protein kinase B-raf | Authors: | Yano, J.K, Aertgeerts, K. | Deposit date: | 2012-05-23 | Release date: | 2014-01-08 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | Design and synthesis of novel DFG-out RAF/vascular endothelial growth factor receptor 2 (VEGFR2) inhibitors: 3. Evaluation of 5-amino-linked thiazolo[5,4-d]pyrimidine and thiazolo[5,4-b]pyridine derivatives. Bioorg.Med.Chem., 20, 2012
|
|
6P5P
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6p5p by Molmil](/molmil-images/mine/6p5p) | Discovery of a Novel, Highly Potent, and Selective Thieno[3,2-d]pyrimidinone-Based Cdc7 inhibitor with a Quinuclidine Moiety (TAK-931) as an Orally Active Investigational Anti-Tumor Agent | Descriptor: | 2-[(2S)-1-azabicyclo[2.2.2]octan-2-yl]-6-(5-methyl-1H-pyrazol-4-yl)thieno[3,2-d]pyrimidin-4(3H)-one, Rho-associated protein kinase 2 | Authors: | Hoffman, I.D, Skene, R.J. | Deposit date: | 2019-05-30 | Release date: | 2020-01-15 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Discovery of a Novel, Highly Potent, and Selective Thieno[3,2-d]pyrimidinone-Based Cdc7 Inhibitor with a Quinuclidine Moiety (TAK-931) as an Orally Active Investigational Antitumor Agent. J.Med.Chem., 63, 2020
|
|
6P5M
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6p5m by Molmil](/molmil-images/mine/6p5m) | Discovery of a Novel, Highly Potent, and Selective Thieno[3,2-d]pyrimidinone-Based Cdc7 inhibitor with a Quinuclidine Moiety (TAK-931) as an Orally Active Investigational Anti-Tumor Agent | Descriptor: | 6-(5-methyl-1H-pyrazol-4-yl)-2-[(pyrrolidin-1-yl)methyl]thieno[3,2-d]pyrimidin-4(3H)-one, Rho-associated protein kinase 2 | Authors: | Hoffman, I.D, Skene, R.J. | Deposit date: | 2019-05-30 | Release date: | 2020-01-15 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Discovery of a Novel, Highly Potent, and Selective Thieno[3,2-d]pyrimidinone-Based Cdc7 Inhibitor with a Quinuclidine Moiety (TAK-931) as an Orally Active Investigational Antitumor Agent. J.Med.Chem., 63, 2020
|
|
6ANL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6anl by Molmil](/molmil-images/mine/6anl) | Structure-based Design, Synthesis, and Biological Evaluation of Imidazo[1,2-b]pyridazine-based p38 MAP Kinase Inhibitors | Descriptor: | Mitogen-activated protein kinase 14, TAK-715 | Authors: | Snell, G.P, Okada, K, Bragstad, K, Sang, B.-C. | Deposit date: | 2017-08-14 | Release date: | 2018-01-17 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure-based design, synthesis, and biological evaluation of imidazo[1,2-b]pyridazine-based p38 MAP kinase inhibitors. Bioorg. Med. Chem., 26, 2018
|
|
8BOU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8bou by Molmil](/molmil-images/mine/8bou) | Crystal structure of Blautia producta GH94 | Descriptor: | 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ACETATE ION, ... | Authors: | Levy, C.W. | Deposit date: | 2022-11-15 | Release date: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.32 Å) | Cite: | Blautia producta is a competent degrader among human gut Firmicutes for utilizing dietary beta mixed linkage glucan To Be Published
|
|
5U7Q
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5u7q by Molmil](/molmil-images/mine/5u7q) | |
5U7R
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5u7r by Molmil](/molmil-images/mine/5u7r) | Identification of A New Class of Potent Cdc7 Inhibitors Designed by Putative Pharmacophore Model: Synthesis and Biological Evaluation of 2,3-Dihydrothieno[3,2-d]pyrimidin-4(1H)-ones | Descriptor: | (1s,4s)-4-(4-fluorophenyl)-4-hydroxy-6'-(5-methyl-1H-pyrazol-4-yl)-1'H-spiro[cyclohexane-1,2'-thieno[3,2-d]pyrimidin]-4'(3'H)-one, Rho-associated protein kinase 2 | Authors: | Hoffman, I.D, Skene, R.J. | Deposit date: | 2016-12-12 | Release date: | 2017-03-29 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (3.33 Å) | Cite: | Identification of a new class of potent Cdc7 inhibitors designed by putative pharmacophore model: Synthesis and biological evaluation of 2,3-dihydrothieno[3,2-d]pyrimidin-4(1H)-ones. Bioorg. Med. Chem., 25, 2017
|
|
1HSS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1hss by Molmil](/molmil-images/mine/1hss) | 0.19 ALPHA-AMYLASE INHIBITOR FROM WHEAT | Descriptor: | 0.19 ALPHA-AMYLASE INHIBITOR | Authors: | Oda, Y, Fukuyama, K. | Deposit date: | 1997-07-01 | Release date: | 1998-07-01 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (2.06 Å) | Cite: | Tertiary and quaternary structures of 0.19 alpha-amylase inhibitor from wheat kernel determined by X-ray analysis at 2.06 A resolution. Biochemistry, 36, 1997
|
|
4DBN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4dbn by Molmil](/molmil-images/mine/4dbn) | Crystal Structure of the Kinase domain of Human B-raf with a [1,3]thiazolo[5,4-b]pyridine derivative | Descriptor: | 2-chloro-3-(1-cyanocyclopropyl)-N-[5-({2-[(cyclopropylcarbonyl)amino][1,3]thiazolo[5,4-b]pyridin-5-yl}oxy)-2-fluorophenyl]benzamide, Serine/threonine-protein kinase B-raf | Authors: | Yano, J.K, Aertgeerts, K. | Deposit date: | 2012-01-16 | Release date: | 2012-04-11 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (3.15 Å) | Cite: | Design and synthesis of novel DFG-out RAF/vascular endothelial growth factor receptor 2 (VEGFR2) inhibitors. 1. Exploration of [5,6]-fused bicyclic scaffolds. J.Med.Chem., 55, 2012
|
|
6M9L
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6m9l by Molmil](/molmil-images/mine/6m9l) | Structure-based Design, Synthesis, and Biological Evaluation of Imidazo[4,5-b]pyridine-2-one based p38 MAP Kinase Inhibitors by scaffold hopping - compound 10 | Descriptor: | 3-benzyl-6-[(2,4-difluorophenyl)amino]-1,3-dihydro-2H-imidazo[4,5-b]pyridin-2-one, Mitogen-activated protein kinase 14 | Authors: | Lane, W, Okada, K. | Deposit date: | 2018-08-23 | Release date: | 2019-04-17 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Structure-Based Design, Synthesis, and Biological Evaluation of Imidazo[4,5-b]pyridin-2-one-Based p38 MAP Kinase Inhibitors: Part 1. Chemmedchem, 14, 2019
|
|
6M95
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6m95 by Molmil](/molmil-images/mine/6m95) | Structure-based Design, Synthesis, and Biological Evaluation of Imidazo[4,5-b]pyridine-2-one based p38 MAP Kinase Inhibitors by scaffold hopping: compound 1 | Descriptor: | (4-benzylpiperidin-1-yl)[2-methoxy-4-(methylsulfanyl)phenyl]methanone, Mitogen-activated protein kinase 14 | Authors: | Lane, W, Okada, K. | Deposit date: | 2018-08-22 | Release date: | 2019-04-17 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structure-Based Design, Synthesis, and Biological Evaluation of Imidazo[4,5-b]pyridin-2-one-Based p38 MAP Kinase Inhibitors: Part 1. Chemmedchem, 14, 2019
|
|