5VUT
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5vut by Molmil](/molmil-images/mine/5vut) | Structure of rat neuronal nitric oxide synthase heme domain in complex with 4-(2-(((2-Amino-4-methylquinolin-7-yl)methyl)amino)ethyl)benzonitrile | 分子名称: | 4-(2-{[(2-amino-4-methylquinolin-7-yl)methyl]amino}ethyl)benzonitrile, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ... | 著者 | Li, H, Poulos, T.L. | 登録日 | 2017-05-19 | 公開日 | 2017-08-16 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Hydrophilic, Potent, and Selective 7-Substituted 2-Aminoquinolines as Improved Human Neuronal Nitric Oxide Synthase Inhibitors. J. Med. Chem., 60, 2017
|
|
7LAF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7laf by Molmil](/molmil-images/mine/7laf) | 15-lipoxygenase-2 loop mutant bound to imidazole-based inhibitor | 分子名称: | 3-{[(4-methylphenyl)methyl]sulfanyl}-1-phenyl-1H-1,2,4-triazole, MANGANESE (II) ION, Polyunsaturated fatty acid lipoxygenase ALOX15B | 著者 | Newcomer, M.E, Gilbert, N.C, Neau, D.B. | 登録日 | 2021-01-06 | 公開日 | 2022-01-19 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.44 Å) | 主引用文献 | Kinetic and structural investigations of novel inhibitors of human epithelial 15-lipoxygenase-2. Bioorg.Med.Chem., 46, 2021
|
|
6HCK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6hck by Molmil](/molmil-images/mine/6hck) | The Transcriptional Regulator PrfA from Listeria Monocytogenes in complex with dipeptide Leu-Leu | 分子名称: | LEUCINE, Listeriolysin regulatory protein, SODIUM ION | 著者 | Grundstrom, C, Oelker, M, Krypotou, E, Scortti, M, Luisi, B.F, Vazquez-Boland, J, Sauer-Eriksson, A.E. | 登録日 | 2018-08-15 | 公開日 | 2019-02-13 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Control of Bacterial Virulence through the Peptide Signature of the Habitat. Cell Rep, 26, 2019
|
|
5VV4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5vv4 by Molmil](/molmil-images/mine/5vv4) | Structure of human neuronal nitric oxide synthase heme domain in complex with 4-(2-(((2-Aminoquinolin-7-yl)methyl)amino)ethyl)-2-methylbenzonitrile | 分子名称: | 4-(2-{[(2-aminoquinolin-7-yl)methyl]amino}ethyl)-2-methylbenzonitrile, 5,6,7,8-TETRAHYDROBIOPTERIN, Nitric oxide synthase, ... | 著者 | Huiying, L, Thomas, L.P. | 登録日 | 2017-05-19 | 公開日 | 2017-08-23 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Hydrophilic, Potent, and Selective 7-Substituted 2-Aminoquinolines as Improved Human Neuronal Nitric Oxide Synthase Inhibitors. J. Med. Chem., 60, 2017
|
|
6HIT
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6hit by Molmil](/molmil-images/mine/6hit) | The crystal structure of haemoglobin from Atlantic cod | 分子名称: | Hemoglobin alpha 2 chain, Hemoglobin beta 4 chain, PROTOPORPHYRIN IX CONTAINING FE | 著者 | Helland, R, Bjorkeng, E.K, Rothweiler, U, Sydnes, M.O, Pampanin, D.M. | 登録日 | 2018-08-30 | 公開日 | 2019-08-21 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | The crystal structure of haemoglobin from Atlantic cod. Acta Crystallogr.,Sect.F, 75, 2019
|
|
8ATE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8ate by Molmil](/molmil-images/mine/8ate) | Galacturonic acid oxidase from Citrus sinensis | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | 著者 | Boverio, A, Savino, S, Fraaije, M.W, Loncar, N. | 登録日 | 2022-08-23 | 公開日 | 2023-09-06 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (1.92 Å) | 主引用文献 | Biochemical and Structural Characterization of a Uronic Acid Oxidase from Citrus sinensis Chemcatchem, 2023
|
|
6FRG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6frg by Molmil](/molmil-images/mine/6frg) | Crystal structure of G-1F mutant of Ssp DnaB Mini-Intein variant M86 | 分子名称: | DI(HYDROXYETHYL)ETHER, PENTAETHYLENE GLYCOL, Replicative DNA helicase, ... | 著者 | Popp, M.A, Blankenfeldt, W, Friedel, K, Mootz, H.D. | 登録日 | 2018-02-15 | 公開日 | 2019-01-30 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.535 Å) | 主引用文献 | A functional interplay between intein and extein sequences in protein splicing compensates for the essential block B histidine. Chem Sci, 10, 2019
|
|
7Q91
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7q91 by Molmil](/molmil-images/mine/7q91) | Crystal Structure of Agrobacterium tumefaciens NADQ, native form. | 分子名称: | NADQ transcription factor, SODIUM ION | 著者 | Cianci, M, Minazzato, G, Heroux, A, Raffaelli, N, Sorci, L, Gasparrini, M. | 登録日 | 2021-11-11 | 公開日 | 2022-11-09 | 最終更新日 | 2024-06-19 | 実験手法 | X-RAY DIFFRACTION (2.31 Å) | 主引用文献 | Bacterial NadQ (COG4111) is a Nudix-like, ATP-responsive regulator of NAD biosynthesis. J.Struct.Biol., 214, 2022
|
|
6B2O
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6b2o by Molmil](/molmil-images/mine/6b2o) | LarE, a sulfur transferase involved in synthesis of the cofactor for lactate racemase, C176A variant | 分子名称: | ATP-utilizing enzyme of the PP-loopsuperfamily, PHOSPHATE ION, SULFATE ION | 著者 | Fellner, M, Hausinger, R.P, Hu, J. | 登録日 | 2017-09-20 | 公開日 | 2018-09-05 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | 主引用文献 | Analysis of the Active Site Cysteine Residue of the Sacrificial Sulfur Insertase LarE from Lactobacillus plantarum. Biochemistry, 57, 2018
|
|
7LQN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7lqn by Molmil](/molmil-images/mine/7lqn) | |
5VVG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5vvg by Molmil](/molmil-images/mine/5vvg) | Structure of bovine endothelial nitric oxide synthase heme domain in complex with 4-(2-(((2-Aminoquinolin-7-yl)methyl)amino)ethyl)-2-chlorobenzonitrile | 分子名称: | 4-(2-{[(2-aminoquinolin-7-yl)methyl]amino}ethyl)-2-chlorobenzonitrile, 5,6,7,8-TETRAHYDROBIOPTERIN, CHLORIDE ION, ... | 著者 | Li, H, Poulos, T.L. | 登録日 | 2017-05-19 | 公開日 | 2017-08-16 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Hydrophilic, Potent, and Selective 7-Substituted 2-Aminoquinolines as Improved Human Neuronal Nitric Oxide Synthase Inhibitors. J. Med. Chem., 60, 2017
|
|
6Z42
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6z42 by Molmil](/molmil-images/mine/6z42) | |
6B3P
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6b3p by Molmil](/molmil-images/mine/6b3p) | Crystal structure of CBMbc (family CBM26) from Eubacterium rectale Amy13K in Complex with Maltoheptaose | 分子名称: | 1,2-ETHANEDIOL, Amy13K, FORMIC ACID, ... | 著者 | Cockburn, D.W, Wawrzak, Z, Perez Medina, K, Koropatkin, N.M. | 登録日 | 2017-09-22 | 公開日 | 2017-11-29 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.01 Å) | 主引用文献 | Novel carbohydrate binding modules in the surface anchored alpha-amylase of Eubacterium rectale provide a molecular rationale for the range of starches used by this organism in the human gut. Mol. Microbiol., 107, 2018
|
|
8RRQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8rrq by Molmil](/molmil-images/mine/8rrq) | Crystal structure of human SYK in complex with compound 24 | 分子名称: | GLYCEROL, N-[(1S,2R)-2-azanylcyclohexyl]-5-[2-[(3,5-dimethylphenyl)amino]pyrimidin-4-yl]-2-methyl-pyrazole-3-carboxamide, Tyrosine-protein kinase SYK | 著者 | Canevari, G. | 登録日 | 2024-01-23 | 公開日 | 2024-04-24 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Discovery and optimization of 4-pyrazolyl-2-aminopyrimidine derivatives as potent spleen tyrosine kinase (SYK) inhibitors. Eur.J.Med.Chem., 270, 2024
|
|
6HCS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6hcs by Molmil](/molmil-images/mine/6hcs) | |
6Z4M
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6z4m by Molmil](/molmil-images/mine/6z4m) | |
5HIQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5hiq by Molmil](/molmil-images/mine/5hiq) | |
8AV8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8av8 by Molmil](/molmil-images/mine/8av8) | Small molecular stabilizer for ERalpha and 14-3-3 (1075300) | 分子名称: | 14-3-3 protein sigma, 2-chloranyl-~{N}-[[1-(1-phenoxycyclopentyl)carbonylpiperidin-4-yl]methyl]ethanamide, Estrogen receptor, ... | 著者 | Visser, E.J, Vandenboorn, E.M.F, Ottmann, C. | 登録日 | 2022-08-26 | 公開日 | 2023-09-06 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Structure-Based Optimization of Covalent, Small-Molecule Stabilizers of the 14-3-3 sigma /ER alpha Protein-Protein Interaction from Nonselective Fragments. J.Am.Chem.Soc., 145, 2023
|
|
6HJA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6hja by Molmil](/molmil-images/mine/6hja) | Xray structure of GLIC in complex with glutarate | 分子名称: | CHLORIDE ION, DIUNDECYL PHOSPHATIDYL CHOLINE, DODECANE, ... | 著者 | Fourati, Z, Delarue, M. | 登録日 | 2018-09-03 | 公開日 | 2019-09-18 | 最終更新日 | 2024-05-15 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Structural evidence for the binding of monocarboxylates and dicarboxylates at pharmacologically relevant extracellular sites of a pentameric ligand-gated ion channel. Acta Crystallogr D Struct Biol, 76, 2020
|
|
6B6G
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6b6g by Molmil](/molmil-images/mine/6b6g) | Crystal Structure of GABA Aminotransferase bound to (S)-3-Amino-4-(difluoromethylenyl)cyclopent-1-ene-1-carboxylic acid, an Potent Inactivatorfor the Treatment of Addiction | 分子名称: | (3R,4E)-4-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)imino]cyclopent-1-ene-1,3-dicarboxylic acid, 4-aminobutyrate aminotransferase, mitochondrial, ... | 著者 | Mascarenhas, R, Juncosa, J.I, Takaya, K, Le, L.V, Moschitto, M.J, Silverman, R.B, Liu, D. | 登録日 | 2017-10-02 | 公開日 | 2018-02-14 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Design and Mechanism of (S)-3-Amino-4-(difluoromethylenyl)cyclopent-1-ene-1-carboxylic Acid, a Highly Potent gamma-Aminobutyric Acid Aminotransferase Inactivator for the Treatment of Addiction. J. Am. Chem. Soc., 140, 2018
|
|
5VWN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5vwn by Molmil](/molmil-images/mine/5vwn) | Triosephosphate isomerases deletion loop 3 from Trichomonas vaginalis | 分子名称: | SODIUM ION, Triosephosphate isomerase | 著者 | Lara-Gonzalez, S, Rojas-Mendez, K, Jimenez-Sandoval, P, Estrella-Hernandez, P, Brieba, L.G. | 登録日 | 2017-05-22 | 公開日 | 2018-04-04 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.74 Å) | 主引用文献 | A competent catalytic active site is necessary for substrate induced dimer assembly in triosephosphate isomerase. Biochim. Biophys. Acta, 1865, 2017
|
|
6FTF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ftf by Molmil](/molmil-images/mine/6ftf) | Regulatory subunit of a cAMP-independent protein kinase A from Trypanosoma cruzi at 1.09 A resolution | 分子名称: | 1,2-ETHANEDIOL, 7-cyano-7-deazainosine, Protein kinase A regulatory subunit, ... | 著者 | Volpato Santos, Y, Lorentzen, E, Basquin, J, Boshart, M. | 登録日 | 2018-02-21 | 公開日 | 2019-04-03 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.09151936 Å) | 主引用文献 | Nucleoside analogue activators of cyclic AMP-independent protein kinase A of Trypanosoma. Nat Commun, 10, 2019
|
|
6B3W
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6b3w by Molmil](/molmil-images/mine/6b3w) | Structure of Hs/AcPRC2 in complex with 5,8-dichloro-7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[(4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl]-3,4-dihydroisoquinolin-1(2H)-one | 分子名称: | 5,8-dichloro-7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[(4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl]-3,4-dihydroisoquinolin-1(2H)-one, Enhancer of zeste 2 polycomb repressive complex 2 subunit,Enhancer of zeste 2 polycomb repressive complex 2 subunit, Polycomb protein EED, ... | 著者 | Gajiwala, K.S, Brooun, A, Liu, W, Deng, Y, Stewart, A.E. | 登録日 | 2017-09-25 | 公開日 | 2017-12-27 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (3.05 Å) | 主引用文献 | Optimization of Orally Bioavailable Enhancer of Zeste Homolog 2 (EZH2) Inhibitors Using Ligand and Property-Based Design Strategies: Identification of Development Candidate (R)-5,8-Dichloro-7-(methoxy(oxetan-3-yl)methyl)-2-((4-methoxy-6-methyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)-3,4-dihydroisoquinolin-1(2H)-one (PF-06821497). J. Med. Chem., 61, 2018
|
|
5VYW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5vyw by Molmil](/molmil-images/mine/5vyw) | |
5H8O
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5h8o by Molmil](/molmil-images/mine/5h8o) | Crystal structure of an ASC-binding nanobody in complex with the CARD domain of ASC | 分子名称: | Apoptosis-associated speck-like protein containing a CARD, VHH nanobody | 著者 | Lu, A, Schmidt, F.I, Ruan, J, Tang, C, Wu, H, Ploegh, H.L. | 登録日 | 2015-12-23 | 公開日 | 2016-04-06 | 最終更新日 | 2016-05-18 | 実験手法 | X-RAY DIFFRACTION (4.206 Å) | 主引用文献 | A single domain antibody fragment that recognizes the adaptor ASC defines the role of ASC domains in inflammasome assembly. J.Exp.Med., 213, 2016
|
|