7OVH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7ovh by Molmil](/molmil-images/mine/7ovh) | Crystal structure of the VIM-2 acquired metallo-beta-Lactamase in Complex with compound 14 (JMV-6931) | 分子名称: | ACETATE ION, Metallo-beta-lactamase VIM-2-like protein, UNKNOWN LIGAND, ... | 著者 | Tassone, G, Benvenuti, M, Verdirosa, F, Sannio, F, Marcoccia, F, Docquier, J.D, Pozzi, C, Mangani, S. | 登録日 | 2021-06-14 | 公開日 | 2021-10-20 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | 1,2,4-Triazole-3-thione compounds with a 4-ethyl alkyl/aryl sulfide substituent are broad-spectrum metallo-beta-lactamase inhibitors with re-sensitization activity. Eur.J.Med.Chem., 226, 2021
|
|
5VUN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5vun by Molmil](/molmil-images/mine/5vun) | Structure of rat neuronal nitric oxide synthase heme domain in complex with 7-(((3-(4-Methylpyridin-3-yl)propyl)amino)methyl)quinolin-2-amine | 分子名称: | 5,6,7,8-TETRAHYDROBIOPTERIN, 7-({[3-(4-methylpyridin-3-yl)propyl]amino}methyl)quinolin-2-amine, 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 (1.745 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
|
|
7OSE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7ose by Molmil](/molmil-images/mine/7ose) | cytochrome bd-II type oxidase with bound aurachin D | 分子名称: | Aurachin D, CIS-HEME D HYDROXYCHLORIN GAMMA-SPIROLACTONE, Cytochrome bd-II ubiquinol oxidase subunit 1, ... | 著者 | Grauel, A, Kaegi, J, Rasmussen, T, Wohlwend, D, Boettcher, B, Friedrich, T. | 登録日 | 2021-06-08 | 公開日 | 2021-11-17 | 最終更新日 | 2023-09-20 | 実験手法 | ELECTRON MICROSCOPY (3 Å) | 主引用文献 | Structure of Escherichia coli cytochrome bd-II type oxidase with bound aurachin D. Nat Commun, 12, 2021
|
|
7QR4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7qr4 by Molmil](/molmil-images/mine/7qr4) | human CPEB3 HDV-like ribozyme | 分子名称: | RNA CPEB3 ribozyme, U1 small nuclear ribonucleoprotein A | 著者 | Przytula-Mally, A.I, Engilberge, S, Johannsen, S, Olieric, V, Masquida, B, Sigel, R.K.O. | 登録日 | 2022-01-17 | 公開日 | 2022-10-26 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.83 Å) | 主引用文献 | Anticodon-like loop-mediated dimerization in the crystal structures of HdV-like CPEB3 ribozymes Biorxiv, 2022
|
|
4J9A
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4j9a by Molmil](/molmil-images/mine/4j9a) | |
4J5I
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4j5i by Molmil](/molmil-images/mine/4j5i) | |
5VUL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5vul by Molmil](/molmil-images/mine/5vul) | Structure of rat neuronal nitric oxide synthase heme domain in complex with 7-(((4-(Dimethylamino)phenethyl)amino)methyl)quinolin-2-amine | 分子名称: | 5,6,7,8-TETRAHYDROBIOPTERIN, 7-[({2-[4-(dimethylamino)phenyl]ethyl}amino)methyl]quinolin-2-amine, 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
|
|
1XG6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1xg6 by Molmil](/molmil-images/mine/1xg6) | |
5VV6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5vv6 by Molmil](/molmil-images/mine/5vv6) | Structure of bovine endothelial nitric oxide synthase heme domain in complex with 7-(((4-(Dimethylamino)phenethyl)amino)methyl)quinolin-2-amine | 分子名称: | 5,6,7,8-TETRAHYDROBIOPTERIN, 7-[({2-[4-(dimethylamino)phenyl]ethyl}amino)methyl]quinolin-2-amine, 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 | 2019-12-25 | 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
|
|
5VUM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5vum by Molmil](/molmil-images/mine/5vum) | Structure of rat neuronal nitric oxide synthase heme domain in complex with 7-(((3-(Pyridin-3-yl)propyl)amino)methyl)quinolin-2-amine | 分子名称: | 5,6,7,8-TETRAHYDROBIOPTERIN, 7-(((3-(PYRIDIN-3-YL)PROPYL)AMINO)METHYL)QUINOLIN-2-, 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 (2.1 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
|
|
5W1F
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5w1f by Molmil](/molmil-images/mine/5w1f) | Crystal structure of Ni(II)- and Ca(II)-bound human calprotectin | 分子名称: | CALCIUM ION, NICKEL (II) ION, Protein S100-A8, ... | 著者 | Nakashige, T.G, Drennan, C.L, Nolan, E.M. | 登録日 | 2017-06-03 | 公開日 | 2017-06-14 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Nickel Sequestration by the Host-Defense Protein Human Calprotectin. J. Am. Chem. Soc., 139, 2017
|
|
7QN4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7qn4 by Molmil](/molmil-images/mine/7qn4) | Endothiapepsin in complex with compound TL00150 at room-temperature (temperature ramping up structure 14) | 分子名称: | 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, DIMETHYL SULFOXIDE, Endothiapepsin, ... | 著者 | Huang, C.Y, Aumonier, S, Wang, M. | 登録日 | 2021-12-20 | 公開日 | 2022-08-17 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.79 Å) | 主引用文献 | Probing ligand binding of endothiapepsin by `temperature-resolved' macromolecular crystallography. Acta Crystallogr D Struct Biol, 78, 2022
|
|
5VUQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5vuq by Molmil](/molmil-images/mine/5vuq) | Structure of rat neuronal nitric oxide synthase heme domain in complex with 4-(2-(((2-Aminoquinolin-7-yl)methyl)amino)ethyl)benzonitrile | 分子名称: | 4-(2-{[(2-aminoquinolin-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 (2.002 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
|
|
7QMM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7qmm by Molmil](/molmil-images/mine/7qmm) | Endothiapepsin in complex with compound TL00150 at room-temperature (temperature ramping down structure 14) | 分子名称: | 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, DIMETHYL SULFOXIDE, Endothiapepsin, ... | 著者 | Huang, C.Y, Aumonier, S, Wang, M. | 登録日 | 2021-12-20 | 公開日 | 2022-08-17 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.79 Å) | 主引用文献 | Probing ligand binding of endothiapepsin by `temperature-resolved' macromolecular crystallography. Acta Crystallogr D Struct Biol, 78, 2022
|
|
7P1K
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7p1k by Molmil](/molmil-images/mine/7p1k) | Cryo EM structure of bison NHA2 in nano disc structure | 分子名称: | CHOLESTEROL HEMISUCCINATE, Phosphatidylinositol, mitochondrial sodium/hydrogen exchanger 9B2 | 著者 | Matsuoka, R, Fudim, R, Jung, S, Drew, D. | 登録日 | 2021-07-01 | 公開日 | 2022-01-26 | 最終更新日 | 2024-07-17 | 実験手法 | ELECTRON MICROSCOPY (3.64 Å) | 主引用文献 | Structure, mechanism and lipid-mediated remodeling of the mammalian Na + /H + exchanger NHA2. Nat.Struct.Mol.Biol., 29, 2022
|
|
5VUJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5vuj by Molmil](/molmil-images/mine/5vuj) | Structure of rat neuronal nitric oxide synthase heme domain in complex with 7-(((3-(Dimethylamino)benzyl)amino)methyl)quinolin-2-amine | 分子名称: | 5,6,7,8-TETRAHYDROBIOPTERIN, 7-[[[3-(dimethylamino)phenyl]methylamino]methyl]quinolin-2-amine, 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 (1.952 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
|
|
7QRC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7qrc by Molmil](/molmil-images/mine/7qrc) | X-ray structure of Trypanosoma cruzi PEX14 in complex with a PEX5-PEX14 PPI inhibitor | 分子名称: | GLYCEROL, Peroxin-14, ~{N}-(5-ethyl-6-oxidanylidene-benzo[b][1,4]benzothiazepin-2-yl)-2-(4-fluorophenyl)ethanamide | 著者 | Napolitano, V, Popowicz, G.M, Dawidowski, M, Dubin, G. | 登録日 | 2022-01-10 | 公開日 | 2022-11-23 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.18 Å) | 主引用文献 | Structure-based design, synthesis and evaluation of a novel family of PEX5-PEX14 interaction inhibitors against Trypanosoma. Eur.J.Med.Chem., 243, 2022
|
|
7P1J
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7p1j by Molmil](/molmil-images/mine/7p1j) | Cryo EM structure of bison NHA2 in detergent structure | 分子名称: | mitochondrial sodium/hydrogen exchanger 9B2 | 著者 | Matsuoka, R, Fudim, R, Jung, S, Drew, D. | 登録日 | 2021-07-01 | 公開日 | 2022-01-26 | 最終更新日 | 2024-07-17 | 実験手法 | ELECTRON MICROSCOPY (3.04 Å) | 主引用文献 | Structure, mechanism and lipid-mediated remodeling of the mammalian Na + /H + exchanger NHA2. Nat.Struct.Mol.Biol., 29, 2022
|
|
7P1I
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7p1i by Molmil](/molmil-images/mine/7p1i) | Cryo EM structure of bison NHA2 in detergent and N-terminal extension helix | 分子名称: | mitochondrial sodium/hydrogen exchanger 9B2 | 著者 | Matsuoka, R, Fudim, R, Jung, S, Drew, D. | 登録日 | 2021-07-01 | 公開日 | 2022-01-26 | 最終更新日 | 2024-07-17 | 実験手法 | ELECTRON MICROSCOPY (3.15 Å) | 主引用文献 | Structure, mechanism and lipid-mediated remodeling of the mammalian Na + /H + exchanger NHA2. Nat.Struct.Mol.Biol., 29, 2022
|
|
5UAP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5uap by Molmil](/molmil-images/mine/5uap) | Crystal Structure of CYP2B6 (Y226H/K262R) in complex with Bornyl Bromide | 分子名称: | (1R,2R,4R)-2-bromo-1,7,7-trimethylbicyclo[2.2.1]heptane, 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, Cytochrome P450 2B6, ... | 著者 | Shah, M.B, Halpert, J.R. | 登録日 | 2016-12-19 | 公開日 | 2017-04-12 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.03 Å) | 主引用文献 | Halogen-pi Interactions in the Cytochrome P450 Active Site: Structural Insights into Human CYP2B6 Substrate Selectivity. ACS Chem. Biol., 12, 2017
|
|
1XMH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1xmh by Molmil](/molmil-images/mine/1xmh) | Structure of Co(II) reconstituted methane monooxygenase hydroxylase from M. capsulatus (Bath) | 分子名称: | COBALT (II) ION, Methane monooxygenase component A alpha chain, Methane monooxygenase component A beta chain, ... | 著者 | Sazinsky, M.H, Merkx, M, Cadieux, E, Tang, S, Lippard, S.J. | 登録日 | 2004-10-02 | 公開日 | 2005-01-18 | 最終更新日 | 2023-08-23 | 実験手法 | X-RAY DIFFRACTION (2.32 Å) | 主引用文献 | Preparation and X-ray Structures of Metal-Free, Dicobalt and Dimanganese Forms of Soluble Methane Monooxygenase Hydroxylase from Methylococcus capsulatus (Bath) Biochemistry, 43, 2004
|
|
1XK5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1xk5 by Molmil](/molmil-images/mine/1xk5) | Crystal structure of the m3G-cap-binding domain of snurportin1 in complex with a m3GpppG-cap dinucleotide | 分子名称: | 2,2,7-TRIMETHYL-GUANOSINE-5'-TRIPHOSPHATE-5'-GUANOSINE, snurportin-1 | 著者 | Strasser, A, Dickmanns, A, Luehrmann, R, Ficner, R. | 登録日 | 2004-09-27 | 公開日 | 2005-06-07 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Structural basis for m(3)G-cap-mediated nuclear import of spliceosomal UsnRNPs by snurportin1 Embo J., 24, 2005
|
|
4K5F
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4k5f by Molmil](/molmil-images/mine/4k5f) | Structure of neuronal nitric oxide synthase heme domain in complex with (S)-1,3-bis((2-amino-4-methylpyridin-6-yl)-methoxy)-butan-4-amine | 分子名称: | 5,6,7,8-TETRAHYDROBIOPTERIN, 6-[({(2S)-1-amino-4-[(6-amino-4-methylpyridin-2-yl)methoxy]butan-2-yl}oxy)methyl]-4-methylpyridin-2-amine, ACETATE ION, ... | 著者 | Li, H, Poulos, T.L. | 登録日 | 2013-04-14 | 公開日 | 2013-09-18 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Chiral linkers to improve selectivity of double-headed neuronal nitric oxide synthase inhibitors. Bioorg.Med.Chem.Lett., 23, 2013
|
|
5VTA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5vta by Molmil](/molmil-images/mine/5vta) | Co-Crystal Structure of DPPIV with a Chemibody Inhibitor | 分子名称: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-{4-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]piperazin-1-yl}-N-(22-oxo-3,6,9,12,15,18-hexaoxa-21-azatricosan-1-yl)acetamide, ... | 著者 | Wang, Z, Johnstone, S, Cheng, A. | 登録日 | 2017-05-16 | 公開日 | 2018-05-09 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Structure-guided Discovery of Dual-recognition Chemibodies. Sci Rep, 8, 2018
|
|
5VUI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5vui by Molmil](/molmil-images/mine/5vui) | Structure of rat neuronal nitric oxide synthase heme domain in complex with 7-(((3-Fluorophenyl)amino)methyl)quinolin-2-amine Dihydrochloride | 分子名称: | 5,6,7,8-TETRAHYDROBIOPTERIN, 7-{[(3-fluorophenyl)amino]methyl}quinolin-2-amine, 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 (2.06 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
|
|