7ZUY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7zuy by Molmil](/molmil-images/mine/7zuy) | HUMAN PRMT5:MEP50 Crystal Structure With MTA and Fragment Bound | 分子名称: | 5'-DEOXY-5'-METHYLTHIOADENOSINE, GLYCEROL, Methylosome protein 50, ... | 著者 | Ahmad, M.U, Koelmel, W, Arkhipova, V, Lawson, J.D, Smith, C.R, Gunn, R.J. | 登録日 | 2022-05-13 | 公開日 | 2022-10-19 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Fragment optimization and elaboration strategies - the discovery of two lead series of PRMT5/MTA inhibitors from five fragment hits. Rsc Med Chem, 13, 2022
|
|
8R5V
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8r5v by Molmil](/molmil-images/mine/8r5v) | Crystal structure of bovine pancreatic ribonuclease A in complex with [Sp-PS]-mU-dT dinucleotide | 分子名称: | 1-[(2~{R},4~{S},5~{R})-5-[[[(2~{R},6~{S})-2-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-6-(hydroxymethyl)morpholin-4-yl]-oxidanyl-phosphinothioyl]oxymethyl]-4-oxidanyl-oxolan-2-yl]-5-methyl-pyrimidine-2,4-dione, DICHLORO-ACETIC ACID, Ribonuclease pancreatic | 著者 | Dolot, R, Jastrzebska, K, Antonczyk, P. | 登録日 | 2023-11-17 | 公開日 | 2023-12-06 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Synthesis of P-stereodefined morpholino dinucleoside-3',6'-thiophosphoramidates using unexpected activator. To Be Published
|
|
6IVL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ivl by Molmil](/molmil-images/mine/6ivl) | Crystal structure of a membrane protein L259A | 分子名称: | ACETIC ACID, CHLORIDE ION, Ibestrophin, ... | 著者 | Kittredge, A, Fukuda, F, Zhang, Y, Yang, T. | 登録日 | 2018-12-04 | 公開日 | 2019-11-06 | 最終更新日 | 2024-05-29 | 実験手法 | X-RAY DIFFRACTION (3.4 Å) | 主引用文献 | Dual Ca2+-dependent gates in human Bestrophin1 underlie disease-causing mechanisms of gain-of-function mutations. Commun Biol, 2, 2019
|
|
7ZQ3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7zq3 by Molmil](/molmil-images/mine/7zq3) | Crystal structure of photosynthetic glyceraldehyde-3-phosphate dehydrogenase from Chlamydomonas reinhardtii (CrGAPA) complexed with NADP+ | 分子名称: | Glyceraldehyde-3-phosphate dehydrogenase A, chloroplastic, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | 著者 | Fermani, S, Zaffagnini, M, Lemaire, S.D, Falini, G, Fanti, S, Rossi, J. | 登録日 | 2022-04-29 | 公開日 | 2022-07-20 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Structural snapshots of nitrosoglutathione binding and reactivity underlying S-nitrosylation of photosynthetic GAPDH. Redox Biol, 54, 2022
|
|
6XS5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6xs5 by Molmil](/molmil-images/mine/6xs5) | Crystal structure of human Vps29 complexed with RaPID-derived cyclic peptide RT-D1 | 分子名称: | 48V-DTY-ILE-ILE-ASP-THR-PRO-LEU-GLY-VAL-PHE-LEU-SER-SER-LEU-LYS-ARG, FORMIC ACID, GLYCEROL, ... | 著者 | Chen, K.-E, Guo, Q, Collins, B.M. | 登録日 | 2020-07-15 | 公開日 | 2021-07-14 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.01 Å) | 主引用文献 | De novo macrocyclic peptides for inhibiting, stabilizing, and probing the function of the retromer endosomal trafficking complex. Sci Adv, 7, 2021
|
|
6ET6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6et6 by Molmil](/molmil-images/mine/6et6) | Crystal structure of muramidase from Acinetobacter baumannii AB 5075UW prophage | 分子名称: | GLYCEROL, Lysozyme, SULFATE ION | 著者 | Boyko, K.M, Nikolaeva, A.Y, Sykilinda, N.N, Shneider, M.M, Miroshnikov, K.A, Popov, V.O. | 登録日 | 2017-10-25 | 公開日 | 2018-09-05 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | 主引用文献 | Structure of anAcinetobacterBroad-Range Prophage Endolysin Reveals a C-Terminal alpha-Helix with the Proposed Role in Activity against Live Bacterial Cells. Viruses, 10, 2018
|
|
7ZYD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7zyd by Molmil](/molmil-images/mine/7zyd) | Structure of Compound 6 Bound to CK2alpha | 分子名称: | 5-bromanyl-6-chloranyl-1~{H}-indole, ACETATE ION, ADENOSINE-5'-TRIPHOSPHATE, ... | 著者 | Brear, P, Hyvonen, M. | 登録日 | 2022-05-24 | 公開日 | 2022-10-12 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.404 Å) | 主引用文献 | A fragment-based approach leading to the discovery of inhibitors of CK2 alpha with a novel mechanism of action. Rsc Med Chem, 13, 2022
|
|
6XC9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6xc9 by Molmil](/molmil-images/mine/6xc9) | Immune receptor complex | 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, GLYCEROL, ... | 著者 | Tran, T.M, Faridi, P, Lim, J.J, Ting, T.Y, Onwukwe, G, Bhattacharjee, P, Tresoldi, M.C.E, Cameron, J.F, La-Gruta, L.N, Purcell, W.A, Mannering, I.S, Rossjohn, J, Reid, H.H. | 登録日 | 2020-06-08 | 公開日 | 2021-07-14 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | T cell receptor recognition of hybrid insulin peptides bound to HLA-DQ8. Nat Commun, 12, 2021
|
|
5TON
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5ton by Molmil](/molmil-images/mine/5ton) | |
5F37
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5f37 by Molmil](/molmil-images/mine/5f37) | Crystal structure of human KDM4A in complex with compound 58 | 分子名称: | 1,2-ETHANEDIOL, 3H-pyrido[3,4-d]pyrimidin-4-one, DIMETHYL SULFOXIDE, ... | 著者 | Le Bihan, Y.-V, Dempster, S, Westwood, I.M, van Montfort, R.L.M. | 登録日 | 2015-12-02 | 公開日 | 2016-01-20 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.22 Å) | 主引用文献 | 8-Substituted Pyrido[3,4-d]pyrimidin-4(3H)-one Derivatives As Potent, Cell Permeable, KDM4 (JMJD2) and KDM5 (JARID1) Histone Lysine Demethylase Inhibitors. J.Med.Chem., 59, 2016
|
|
5F2W
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5f2w by Molmil](/molmil-images/mine/5f2w) | Crystal structure of human KDM4A in complex with compound 16 | 分子名称: | 1,2-ETHANEDIOL, 2-(2-azanyl-1,3-thiazol-4-yl)pyridine-4-carboxamide, DIMETHYL SULFOXIDE, ... | 著者 | Le Bihan, Y.-V, Dempster, S, Westwood, I.M, van Montfort, R.L.M. | 登録日 | 2015-12-02 | 公開日 | 2016-01-20 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | 8-Substituted Pyrido[3,4-d]pyrimidin-4(3H)-one Derivatives As Potent, Cell Permeable, KDM4 (JMJD2) and KDM5 (JARID1) Histone Lysine Demethylase Inhibitors. J.Med.Chem., 59, 2016
|
|
6PG6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6pg6 by Molmil](/molmil-images/mine/6pg6) | |
7ZS3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7zs3 by Molmil](/molmil-images/mine/7zs3) | |
6B7C
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6b7c by Molmil](/molmil-images/mine/6b7c) | Crystal structure of E.coli Phosphopantetheine Adenylyltransferase (PPAT/CoaD) in complex with N-((1,3-dimethyl-1H-pyrazol-5-yl)methyl)-5-methyl-1H-imidazo[4,5-b]pyridin-2-amine | 分子名称: | DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, N-[(1,3-dimethyl-1H-pyrazol-5-yl)methyl]-5-methyl-3H-imidazo[4,5-b]pyridin-2-amine, ... | 著者 | Proudfoot, A.W, Bussiere, D, Lingel, A. | 登録日 | 2017-10-03 | 公開日 | 2017-12-27 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.564 Å) | 主引用文献 | High-Confidence Protein-Ligand Complex Modeling by NMR-Guided Docking Enables Early Hit Optimization. J. Am. Chem. Soc., 139, 2017
|
|
5TPH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5tph by Molmil](/molmil-images/mine/5tph) | Crystal structure of a de novo designed protein homodimer with curved beta-sheet | 分子名称: | CHLORIDE ION, DI(HYDROXYETHYL)ETHER, de novo NTF2 homodimer | 著者 | Basanta, B, Marcos, E, Oberdorfer, G, Chidyausiku, T.M, Sankaran, B, Baker, D. | 登録日 | 2016-10-20 | 公開日 | 2017-01-25 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (2.47 Å) | 主引用文献 | Principles for designing proteins with cavities formed by curved beta sheets. Science, 355, 2017
|
|
7KC6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7kc6 by Molmil](/molmil-images/mine/7kc6) | X-ray structure of Lfa-1 I domain in complex with Lovastatin collected at 273 K | 分子名称: | Integrin alpha-L, LOVASTATIN, MAGNESIUM ION | 著者 | Woldeyes, R.A, Hallenbeck, K.K, Pfaff, S.J, Lee, G, Cortez, S.V, Kelly, M.J, Akassoglou, K, Arkin, M.R, Fraser, J.S. | 登録日 | 2020-10-05 | 公開日 | 2021-10-06 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Divergent conformational dynamics controls allosteric ligand accessibility across evolutionarily related I-domain-containing integrins To Be Published
|
|
6EZZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ezz by Molmil](/molmil-images/mine/6ezz) | Crystal structure of Escherichia coli amine oxidase mutant E573Q | 分子名称: | CALCIUM ION, COPPER (II) ION, GLYCEROL, ... | 著者 | Gaule, T.G, Smith, M.A, Tych, K.M, Pirrat, P, Trinh, C.H, Pearson, A.R, Knowles, P.F, McPherson, M.J. | 登録日 | 2017-11-16 | 公開日 | 2018-08-29 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Oxygen Activation Switch in the Copper Amine Oxidase of Escherichia coli. Biochemistry, 57, 2018
|
|
6PGJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6pgj by Molmil](/molmil-images/mine/6pgj) | Crystal Structure of EcDsbA in a complex with unpurified reaction product A5 (Morpholine carboxylic acid 7) | 分子名称: | (3R)-4-{[4-(4-cyano-3-methylphenoxy)phenyl]acetyl}morpholine-3-carboxylic acid, (3S)-4-{[4-(4-cyano-3-methylphenoxy)phenyl]acetyl}morpholine-3-carboxylic acid, COPPER (II) ION, ... | 著者 | Ilyichova, O.V, Bentley, M, Doak, B, Scanlon, M.J. | 登録日 | 2019-06-24 | 公開日 | 2020-05-06 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Rapid Elaboration of Fragments into Leads by X-ray Crystallographic Screening of Parallel Chemical Libraries (REFiL X ). J.Med.Chem., 63, 2020
|
|
6B4K
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6b4k by Molmil](/molmil-images/mine/6b4k) | Crystal structure of human DDX19B(AMPPNP) | 分子名称: | ATP-dependent RNA helicase DDX19B, MAGNESIUM ION, MALONATE ION, ... | 著者 | Lin, D.H, Correia, A.R, Cai, S.W, Huber, F.M, Jette, C.A, Hoelz, A. | 登録日 | 2017-09-26 | 公開日 | 2018-06-20 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Structural and functional analysis of mRNA export regulation by the nuclear pore complex. Nat Commun, 9, 2018
|
|
8A0P
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8a0p by Molmil](/molmil-images/mine/8a0p) | Crystal structure of poplar glutathione transferase U20 in complex with morin | 分子名称: | 2-[2,4-bis(oxidanyl)phenyl]-3,5,7-tris(oxidanyl)chromen-4-one, CHLORIDE ION, Glutathione transferase | 著者 | Didierjean, C, Favier, F. | 登録日 | 2022-05-30 | 公開日 | 2022-07-20 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.686 Å) | 主引用文献 | Biochemical and Structural Insights on the Poplar Tau Glutathione Transferase GSTU19 and 20 Paralogs Binding Flavonoids. Front Mol Biosci, 9, 2022
|
|
7ZVU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7zvu by Molmil](/molmil-images/mine/7zvu) | HUMAN PRMT5:MEP50 Crystal Structure With MTA and Fragment Bound | 分子名称: | 5'-DEOXY-5'-METHYLTHIOADENOSINE, GLYCEROL, Methylosome protein 50, ... | 著者 | Ahmad, M.U, Koelmel, W, Arkhipova, V, Lawson, J.D, Smith, C.R, Gunn, R.J. | 登録日 | 2022-05-17 | 公開日 | 2022-10-19 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Fragment optimization and elaboration strategies - the discovery of two lead series of PRMT5/MTA inhibitors from five fragment hits. Rsc Med Chem, 13, 2022
|
|
5F5A
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5f5a by Molmil](/molmil-images/mine/5f5a) | Crystal Structure of human JMJD2D complexed with KDOAM16 | 分子名称: | 1,2-ETHANEDIOL, 2-[(furan-2-ylmethylamino)methyl]pyridine-4-carboxylic acid, Lysine-specific demethylase 4D, ... | 著者 | Krojer, T, Vollmar, M, Crawley, L, Bradley, A.R, Szykowska, A, Ruda, G.F, Yang, H, Burgess-Brown, N, Brennan, P, Bountra, C, Arrowsmith, C.H, Edwards, A, Oppermann, U, von Delft, F, Structural Genomics Consortium (SGC) | 登録日 | 2015-12-04 | 公開日 | 2015-12-16 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.41 Å) | 主引用文献 | 8-Substituted Pyrido[3,4-d]pyrimidin-4(3H)-one Derivatives As Potent, Cell Permeable, KDM4 (JMJD2) and KDM5 (JARID1) Histone Lysine Demethylase Inhibitors. J.Med.Chem., 59, 2016
|
|
7ZY0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7zy0 by Molmil](/molmil-images/mine/7zy0) | Crystal structure of compound 7 bound to CK2alpha | 分子名称: | 2-(5-bromanyl-1~{H}-indol-3-yl)ethanenitrile, ADENOSINE-5'-DIPHOSPHATE, Casein kinase II subunit alpha | 著者 | Brear, P, Fusco, C, Atkinson, E, Rossmann, M, Francis, N, Iegre, J, Hyvonen, M, Spring, D. | 登録日 | 2022-05-23 | 公開日 | 2022-10-12 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.44 Å) | 主引用文献 | A fragment-based approach leading to the discovery of inhibitors of CK2 alpha with a novel mechanism of action. Rsc Med Chem, 13, 2022
|
|
8QUG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8qug by Molmil](/molmil-images/mine/8qug) | KRAS-G12C in Complex with Compound 1 | 分子名称: | (4S)-2-azanyl-4-methyl-4-[3-[2-[(2S)-2-methyl-1,4-diazepan-1-yl]pyrimidin-4-yl]-1,2,4-oxadiazol-5-yl]-6,7-dihydro-5H-1-benzothiophene-3-carbonitrile, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... | 著者 | Fischer, G, Kratochvil, B. | 登録日 | 2023-10-16 | 公開日 | 2023-12-06 | 実験手法 | X-RAY DIFFRACTION (1.56 Å) | 主引用文献 | Targeting cancer with small molecule pan-KRAS degraders Biorxiv, 2023
|
|
7ZY8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7zy8 by Molmil](/molmil-images/mine/7zy8) | Crystal structure of compound 2 bound to CK2alpha | 分子名称: | 3-[3,5-bis(chloranyl)phenyl]propan-1-amine, ACETATE ION, Casein kinase II subunit alpha, ... | 著者 | Brear, P, Fusco, C, Atkinson, E, Rossmann, M, Francis, N, Iegre, J, Hyvonen, M, Spring, D. | 登録日 | 2022-05-24 | 公開日 | 2022-10-12 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | A fragment-based approach leading to the discovery of inhibitors of CK2 alpha with a novel mechanism of action. Rsc Med Chem, 13, 2022
|
|