7Q1O
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7q1o by Molmil](/molmil-images/mine/7q1o) | Crystal structure of human butyrylcholinesterase in complex with N-[(2S)-3-[(cyclohexylmethyl)amino]-2-hydroxypropyl]-3,3-diphenylpropanamide | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ... | 著者 | Brazzolotto, X, Panek, D, Pasieka, A, Malawska, B, Nachon, F. | 登録日 | 2021-10-20 | 公開日 | 2022-11-16 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | 主引用文献 | Discovery of new, highly potent and selective inhibitors of BuChE - design, synthesis, in vitro and in vivo evaluation and crystallography studies. Eur.J.Med.Chem., 249, 2023
|
|
5O9D
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5o9d by Molmil](/molmil-images/mine/5o9d) | Crystal structure of R. ruber ADH-A, mutant Y294F, W295A, Y54F, F43H, H39Y | 分子名称: | (2~{S})-2-methylpentanedioic acid, Alcohol dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | 著者 | Dobritzsch, D, Maurer, D, Hamnevik, E, Enugala, T.R, Widersten, M. | 登録日 | 2017-06-19 | 公開日 | 2017-10-11 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.79 Å) | 主引用文献 | Relaxation of nonproductive binding and increased rate of coenzyme release in an alcohol dehydrogenase increases turnover with a nonpreferred alcohol enantiomer. FEBS J., 284, 2017
|
|
7VA1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7va1 by Molmil](/molmil-images/mine/7va1) | |
6ACB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6acb by Molmil](/molmil-images/mine/6acb) | Crystal structure of PDE5 in complex with inhibitor LW1805 | 分子名称: | 3-[(2H-1,3-benzodioxol-5-yl)methyl]-8-fluoro-6-{[2-(4-methylpiperazin-1-yl)ethyl]amino}-1-(1,3-thiazol-2-yl)[1]benzopyrano[2,3-c]pyrrol-9(2H)-one, MAGNESIUM ION, SULFATE ION, ... | 著者 | Wu, D, Huang, Y.D, Huang, Y.Y, Luo, H.B. | 登録日 | 2018-07-26 | 公開日 | 2018-09-19 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Optimization of Chromeno[2,3- c]pyrrol-9(2 H)-ones as Highly Potent, Selective, and Orally Bioavailable PDE5 Inhibitors: Structure-Activity Relationship, X-ray Crystal Structure, and Pharmacodynamic Effect on Pulmonary Arterial Hypertension. J. Med. Chem., 61, 2018
|
|
7VU7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7vu7 by Molmil](/molmil-images/mine/7vu7) | |
7VKV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7vkv by Molmil](/molmil-images/mine/7vkv) | |
6AGM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6agm by Molmil](/molmil-images/mine/6agm) | |
7KZC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7kzc by Molmil](/molmil-images/mine/7kzc) | |
7PDO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7pdo by Molmil](/molmil-images/mine/7pdo) | |
7PD5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7pd5 by Molmil](/molmil-images/mine/7pd5) | Crystal structure of Mycobacterium hassiacum glucosyl-3-phosphoglycerate synthase at pH 5.5 in complex with 4-aminobenzoic acid | 分子名称: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-AMINOBENZOIC ACID, CHLORIDE ION, ... | 著者 | Silva, A, Nunes-Costa, D, Barbosa Pereira, P.J, Macedo-Ribeiro, S. | 登録日 | 2021-08-04 | 公開日 | 2023-02-15 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Crystal structure of Mycobacterium hassiacum glucosyl-3-phosphoglycerate synthase at pH 5.5 in complex with 4-aminobenzoic acid To Be Published
|
|
3S1E
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3s1e by Molmil](/molmil-images/mine/3s1e) | Pro427Gln mutant of maize cytokinin oxidase/dehydrogenase complexed with N6-isopentenyladenine | 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, Cytokinin dehydrogenase 1, ... | 著者 | Kopecny, D, Briozzo, P, Morera, S. | 登録日 | 2011-05-15 | 公開日 | 2012-05-23 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Kinetic and structural investigation of the cytokinin oxidase/dehydrogenase active site. Febs J., 283, 2016
|
|
7KZA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7kza by Molmil](/molmil-images/mine/7kza) | |
7PHO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7pho by Molmil](/molmil-images/mine/7pho) | Crystal structure of Mycobacterium hassiacum glucosyl-3-phosphoglycerate synthase at pH 7.1 in complex with 4-hydroxybenzaldehyde | 分子名称: | BICARBONATE ION, D-MALATE, GLYCEROL, ... | 著者 | Nunes-Costa, D, Silva, A, Barbosa Pereira, P.J, Macedo-Ribeiro, S. | 登録日 | 2021-08-17 | 公開日 | 2023-03-01 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.27 Å) | 主引用文献 | Crystal structure of Mycobacterium hassiacum glucosyl-3-phosphoglycerate synthase at pH 7.1 in complex with 4-hydroxybenzaldehyde To Be Published
|
|
7PVL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7pvl by Molmil](/molmil-images/mine/7pvl) | |
7KQE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7kqe by Molmil](/molmil-images/mine/7kqe) | |
7WC5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7wc5 by Molmil](/molmil-images/mine/7wc5) | Crystal structure of serotonin 2A receptor in complex with psilocin | 分子名称: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 3-[2-(dimethylamino)ethyl]-1~{H}-indol-4-ol, 5-hydroxytryptamine receptor 2A, ... | 著者 | Cao, D, Yu, J, Wang, H, Luo, Z, Liu, X, He, L, Qi, J, Fan, L, Tang, L, Chen, Z, Li, J, Cheng, J, Wang, S. | 登録日 | 2021-12-18 | 公開日 | 2022-01-26 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | 主引用文献 | Structure-based discovery of nonhallucinogenic psychedelic analogs. Science, 375, 2022
|
|
7WC6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7wc6 by Molmil](/molmil-images/mine/7wc6) | Crystal structure of serotonin 2A receptor in complex with LSD | 分子名称: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (8alpha)-N,N-diethyl-6-methyl-9,10-didehydroergoline-8-carboxamide, 5-hydroxytryptamine receptor 2A,Soluble cytochrome b562, ... | 著者 | Cao, D, Yu, J, Wang, H, Luo, Z, Liu, X, He, L, Qi, J, Fan, L, Tang, L, Chen, Z, Li, J, Cheng, J, Wang, S. | 登録日 | 2021-12-18 | 公開日 | 2022-01-26 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Structure-based discovery of nonhallucinogenic psychedelic analogs. Science, 375, 2022
|
|
7WC9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7wc9 by Molmil](/molmil-images/mine/7wc9) | Crystal structure of serotonin 2A receptor in complex with non-hallucinogenic psychedelic analog | 分子名称: | (10~{R},15~{S})-12-[3-(2-methoxyphenyl)propyl]-4-methyl-1,4,12-triazatetracyclo[7.6.1.0^{5,16}.0^{10,15}]hexadeca-5(16),6,8-triene, (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 5-hydroxytryptamine receptor 2A,5-hydroxytryptamine receptor 2A,Soluble cytochrome b562, ... | 著者 | Cao, D, Yu, J, Wang, H, Luo, Z, Liu, X, He, L, Qi, J, Fan, L, Tang, L, Chen, Z, Li, J, Cheng, J, Wang, S. | 登録日 | 2021-12-18 | 公開日 | 2022-01-26 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Structure-based discovery of nonhallucinogenic psychedelic analogs. Science, 375, 2022
|
|
7Q5P
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7q5p by Molmil](/molmil-images/mine/7q5p) | Structure of VgrG1 from Pseudomonas protegens. | 分子名称: | Type VI secretion protein VgrG | 著者 | Guenther, P, Quentin, D, Ahmad, S, Sachar, K, Gatsogiannis, C, Whitney, J.C, Raunser, S. | 登録日 | 2021-11-04 | 公開日 | 2021-12-15 | 最終更新日 | 2024-07-17 | 実験手法 | ELECTRON MICROSCOPY (3.3 Å) | 主引用文献 | Structure of a bacterial Rhs effector exported by the type VI secretion system. Plos Pathog., 18, 2022
|
|
7WC7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7wc7 by Molmil](/molmil-images/mine/7wc7) | Crystal structure of serotonin 2A receptor in complex with lisuride | 分子名称: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 5-hydroxytryptamine receptor 2A,5-hydroxytryptamine receptor 2A,Soluble cytochrome b562, CHOLESTEROL, ... | 著者 | Cao, D, Yu, J, Wang, H, Luo, Z, Liu, X, He, L, Qi, J, Fan, L, Tang, L, Chen, Z, Li, J, Cheng, J, Wang, S. | 登録日 | 2021-12-18 | 公開日 | 2022-01-26 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Structure-based discovery of nonhallucinogenic psychedelic analogs. Science, 375, 2022
|
|
7Q97
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7q97 by Molmil](/molmil-images/mine/7q97) | Structure of the bacterial type VI secretion system effector RhsA. | 分子名称: | Rhs family protein | 著者 | Guenther, P, Quentin, D, Ahmad, S, Sachar, K, Gatsogiannis, C, Whitney, J.C, Raunser, S. | 登録日 | 2021-11-12 | 公開日 | 2021-12-22 | 最終更新日 | 2024-07-17 | 実験手法 | ELECTRON MICROSCOPY (3.3 Å) | 主引用文献 | Structure of a bacterial Rhs effector exported by the type VI secretion system. Plos Pathog., 18, 2022
|
|
7WC8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7wc8 by Molmil](/molmil-images/mine/7wc8) | Crystal structure of serotonin 2A receptor in complex with lumateperone | 分子名称: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 1-(4-fluorophenyl)-4-[(10~{R},15~{S})-4-methyl-1,4,12-triazatetracyclo[7.6.1.0^{5,16}.0^{10,15}]hexadeca-5,7,9(16)-trien-12-yl]butan-1-one, 5-hydroxytryptamine receptor 2A,5-hydroxytryptamine receptor 2A,Soluble cytochrome b562, ... | 著者 | Cao, D, Yu, J, Wang, H, Luo, Z, Liu, X, He, L, Qi, J, Fan, L, Tang, L, Chen, Z, Li, J, Cheng, J, Wang, S. | 登録日 | 2021-12-18 | 公開日 | 2022-01-26 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | 主引用文献 | Structure-based discovery of nonhallucinogenic psychedelic analogs. Science, 375, 2022
|
|
2J7E
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2j7e by Molmil](/molmil-images/mine/2j7e) | Beta-glucosidase from Thermotoga maritima in complex with methyl acetate-substituted glucoimidazole | 分子名称: | ACETATE ION, BETA-GLUCOSIDASE A, CALCIUM ION, ... | 著者 | Gloster, T.M, Zechel, D, Vasella, A, Davies, G.J. | 登録日 | 2006-10-07 | 公開日 | 2006-10-18 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.19 Å) | 主引用文献 | Glycosidase Inhibition: An Assessment of the Binding of 18 Putative Transition-State Mimics. J.Am.Chem.Soc., 129, 2007
|
|
7WC4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7wc4 by Molmil](/molmil-images/mine/7wc4) | Crystal structure of serotonin 2A receptor in complex with serotonin | 分子名称: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 5-hydroxytryptamine receptor 2A,5-hydroxytryptamine receptor 2A,5-hydroxytryptamine receptor 2A,Soluble cytochrome b562, CHOLESTEROL, ... | 著者 | Cao, D, Yu, J, Wang, H, Luo, Z, Liu, X, He, L, Qi, J, Fan, L, Tang, L, Chen, Z, Li, J, Cheng, J, Wang, S. | 登録日 | 2021-12-18 | 公開日 | 2022-01-26 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | 主引用文献 | Structure-based discovery of nonhallucinogenic psychedelic analogs. Science, 375, 2022
|
|
6ALD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ald by Molmil](/molmil-images/mine/6ald) | RABBIT MUSCLE ALDOLASE A/FRUCTOSE-1,6-BISPHOSPHATE COMPLEX | 分子名称: | 1,6-FRUCTOSE DIPHOSPHATE (LINEAR FORM), FRUCTOSE-1,6-BIS(PHOSPHATE) ALDOLASE | 著者 | Choi, K.H, Mazurkie, A.S, Morris, A.J, Utheza, D, Tolan, D.R, Allen, K.N. | 登録日 | 1998-12-23 | 公開日 | 2000-01-05 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Structure of a fructose-1,6-bis(phosphate) aldolase liganded to its natural substrate in a cleavage-defective mutant at 2.3 A(,). Biochemistry, 38, 1999
|
|