6DJZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6djz by Molmil](/molmil-images/mine/6djz) | Human sigma-1 receptor bound to haloperidol | 分子名称: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(4-fluorophenyl)butan-1-one, GLYCEROL, ... | 著者 | Schmidt, H.R, Kruse, A.C. | 登録日 | 2018-05-28 | 公開日 | 2018-10-17 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (3.084 Å) | 主引用文献 | Structural basis for sigma1receptor ligand recognition. Nat. Struct. Mol. Biol., 25, 2018
|
|
7ZFG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7zfg by Molmil](/molmil-images/mine/7zfg) | VDR complex with aromatic D-ring analog | 分子名称: | (1R,3S,5Z)-4-methylidene-5-[(E)-9-methyl-3-[3-(6-methyl-6-oxidanyl-heptyl)phenyl]-9-oxidanyl-dec-2-enylidene]cyclohexane-1,3-diol, ACETATE ION, Nuclear receptor coactivator 1, ... | 著者 | Rochel, N. | 登録日 | 2022-04-01 | 公開日 | 2022-11-23 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.62 Å) | 主引用文献 | Design, Synthesis, Biological Activity, and Structural Analysis of Novel Des-C-Ring and Aromatic-D-Ring Analogues of 1 alpha ,25-Dihydroxyvitamin D 3. J.Med.Chem., 65, 2022
|
|
6XXN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6xxn by Molmil](/molmil-images/mine/6xxn) | Crystal structure of NB7, a nanobody targeting prostate specific membrane antigen | 分子名称: | NB_7_a,b,c,f, NB_7_g, NB_7_h, ... | 著者 | Shahar, A, Rosenfeld, L, Papo, N. | 登録日 | 2020-01-28 | 公開日 | 2020-06-10 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | 主引用文献 | Nanobodies Targeting Prostate-Specific Membrane Antigen for the Imaging and Therapy of Prostate Cancer. J.Med.Chem., 63, 2020
|
|
4PIE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4pie by Molmil](/molmil-images/mine/4pie) | Crystal structure of human adenovirus 2 protease a substrate based nitrile inhibitor | 分子名称: | ACETATE ION, N-{(2S)-2-(3-chlorophenyl)-2-[(methylsulfonyl)amino]acetyl}-L-phenylalanyl-N-[(2Z)-2-iminoethyl]glycinamide, Pre-protein VI, ... | 著者 | Mac Sweeney, A, Grosche, P, Ellis, D, Combrink, C, Erbel, C, Hughes, N, Sirockin, F, Melkko, S, Bernardi, A, Ramage, P, Jarousse, N, Altmann, E. | 登録日 | 2014-05-08 | 公開日 | 2014-09-10 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.94 Å) | 主引用文献 | Discovery and structure-based optimization of adenain inhibitors. Acs Med.Chem.Lett., 5, 2014
|
|
6DKJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6dkj by Molmil](/molmil-images/mine/6dkj) | human GIPR ECD and Fab complex | 分子名称: | 1,2-ETHANEDIOL, Fab heavy chain, Fab light chain, ... | 著者 | Min, X, Wang, Z. | 登録日 | 2018-05-29 | 公開日 | 2019-05-08 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Anti-obesity effects of GIPR antagonists alone and in combination with GLP-1R agonists in preclinical models. Sci Transl Med, 10, 2018
|
|
4ZW5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4zw5 by Molmil](/molmil-images/mine/4zw5) | |
4PID
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4pid by Molmil](/molmil-images/mine/4pid) | Crystal structure of human adenovirus 2 protease with a weak pyrimidine nitrile inhibitor | 分子名称: | ACETATE ION, N-benzyl-2-[(Z)-iminomethyl]pyrimidine-5-carboxamide, Pre-protein VI, ... | 著者 | Mac Sweeney, A, Grosche, P, Ellis, D, Combrink, K, Erbel, P, Hughes, N, Sirockin, F, Melkko, S, Bernardi, A, Ramage, P, Jarousse, N, Altmann, E. | 登録日 | 2014-05-08 | 公開日 | 2014-09-10 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.59 Å) | 主引用文献 | Discovery and structure-based optimization of adenain inhibitors. Acs Med.Chem.Lett., 5, 2014
|
|
6DXL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6dxl by Molmil](/molmil-images/mine/6dxl) | Linked amidobenzimidazole STING agonist | 分子名称: | 1,1'-(butane-1,4-diyl)bis{2-[(1-ethyl-3-methyl-1H-pyrazole-5-carbonyl)amino]-1H-benzimidazole-5-carboxamide}, CALCIUM ION, Stimulator of interferon protein | 著者 | Concha, N.O. | 登録日 | 2018-06-29 | 公開日 | 2018-11-07 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | 主引用文献 | Design of amidobenzimidazole STING receptor agonists with systemic activity. Nature, 564, 2018
|
|
4PIQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4piq by Molmil](/molmil-images/mine/4piq) | Crystal structure of human adenovirus 8 protease with a nitrile inhibitor | 分子名称: | N-[(3,5-dichlorophenyl)acetyl]-L-threonyl-N-[(2Z)-2-iminoethyl]glycinamide, PVI, Protease | 著者 | Mac Sweeney, A, Grosche, P, Ellis, D, Combrink, K, Erbel, P, Hughes, N, Sirockin, F, Melkko, S, Bernardi, A, Ramage, P, Jarousse, N, Altmann, E. | 登録日 | 2014-05-09 | 公開日 | 2014-09-10 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (2.07 Å) | 主引用文献 | Discovery and structure-based optimization of adenain inhibitors. Acs Med.Chem.Lett., 5, 2014
|
|
4ZW6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4zw6 by Molmil](/molmil-images/mine/4zw6) | |
6XLI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6xli by Molmil](/molmil-images/mine/6xli) | CRYSTAL STRUCTURE OF ANTI-TAU ANTIBODY PT3 Fab+pT212/pT217-TAU PEPTIDE | 分子名称: | GLYCEROL, PT3 Fab Heavy Chain, PT3 Fab Light Chain, ... | 著者 | Malia, T.J, Teplyakov, A, Luo, J. | 登録日 | 2020-06-28 | 公開日 | 2020-09-23 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Discovery and Functional Characterization of hPT3, a Humanized Anti-Phospho Tau Selective Monoclonal Antibody. J Alzheimers Dis, 77, 2020
|
|
4PJ0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4pj0 by Molmil](/molmil-images/mine/4pj0) | Structure of T.elongatus Photosystem II, rows of dimers crystal packing | 分子名称: | 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ... | 著者 | Hellmich, J, Bommer, M, Burkhardt, A, Ibrahim, M, Kern, J, Meents, A, Mueh, F, Dobbek, H, Zouni, A. | 登録日 | 2014-05-10 | 公開日 | 2014-10-22 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.437 Å) | 主引用文献 | Native-like Photosystem II Superstructure at 2.44 angstrom Resolution through Detergent Extraction from the Protein Crystal. Structure, 22, 2014
|
|
5AGV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5agv by Molmil](/molmil-images/mine/5agv) | The sliding clamp of Mycobacterium tuberculosis in complex with a natural product. | 分子名称: | (R,R)-2,3-BUTANEDIOL, CALCIUM ION, CYCLOHEXYL GRISELIMYCIN, ... | 著者 | Lukat, P, Kling, A, Heinz, D.W, Mueller, R. | 登録日 | 2015-02-03 | 公開日 | 2015-06-03 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.93 Å) | 主引用文献 | Antibiotics. Targeting Dnan for Tuberculosis Therapy Using Novel Griselimycins. Science, 348, 2015
|
|
6DDP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ddp by Molmil](/molmil-images/mine/6ddp) | Mycobacterium tuberculosis Dihydrofolate Reductase complexed with beta-NADPH and 3'-[(2R)-4-(2,4-diamino-6-ethylpyrimidin-5-yl)but-3-yn-2-yl]-5'-methoxy[1,1'-biphenyl]-4-carboxylic acid | 分子名称: | 3'-[(2R)-4-(2,4-diamino-6-ethylpyrimidin-5-yl)but-3-yn-2-yl]-5'-methoxy[1,1'-biphenyl]-4-carboxylic acid, Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | 著者 | Hajian, B, Wright, D. | 登録日 | 2018-05-10 | 公開日 | 2018-05-23 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.49 Å) | 主引用文献 | Drugging the Folate Pathway in Mycobacterium tuberculosis: The Role of Multi-targeting Agents. Cell Chem Biol, 26, 2019
|
|
4PK5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4pk5 by Molmil](/molmil-images/mine/4pk5) | Crystal structure of the indoleamine 2,3-dioxygenagse 1 (IDO1) complexed with Amg-1 | 分子名称: | Indoleamine 2,3-dioxygenase 1, N-(1,3-benzodioxol-5-yl)-2-{[5-(4-methylphenyl)[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]sulfanyl}acetamide, PROTOPORPHYRIN IX CONTAINING FE | 著者 | Kohno, T, Tojo, S, Ishii, T. | 登録日 | 2014-05-13 | 公開日 | 2014-09-03 | 最終更新日 | 2020-01-29 | 実験手法 | X-RAY DIFFRACTION (2.79 Å) | 主引用文献 | Crystal Structures and Structure-Activity Relationships of Imidazothiazole Derivatives as IDO1 Inhibitors. Acs Med.Chem.Lett., 5, 2014
|
|
6DE5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6de5 by Molmil](/molmil-images/mine/6de5) | |
4PLE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4ple by Molmil](/molmil-images/mine/4ple) | Human Nuclear Receptor Liver Receptor Homologue-1, LRH-1, Bound to an E. Coli Phospholipid and a Fragment of TIF-2 | 分子名称: | 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, L-ALPHA-PHOSPHATIDYL-BETA-OLEOYL-GAMMA-PALMITOYL-PHOSPHATIDYLETHANOLAMINE, Nuclear receptor coactivator 2, ... | 著者 | Ortlund, E.A, Musille, P.M. | 登録日 | 2014-05-16 | 公開日 | 2015-12-16 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.752 Å) | 主引用文献 | Unexpected Allosteric Network Contributes to LRH-1 Co-regulator Selectivity. J.Biol.Chem., 291, 2016
|
|
4P38
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4p38 by Molmil](/molmil-images/mine/4p38) | Human 11beta-Hydroxysteroid Dehydrogenase Type 1 in complex with AZD8329 | 分子名称: | 4-[4-(2-adamantylcarbamoyl)-5-tert-butyl-pyrazol-1-yl]benzoic acid, CHLORIDE ION, Corticosteroid 11-beta-dehydrogenase isozyme 1, ... | 著者 | Ogg, D, Hargreaves, D, Gerhardt, S. | 登録日 | 2014-03-06 | 公開日 | 2014-04-30 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Novel acidic 11 beta-hydroxysteroid dehydrogenase type 1 (11 beta-HSD1) inhibitor with reduced acyl glucuronide liability: the discovery of 4-[4-(2-adamantylcarbamoyl)-5-tert-butyl-pyrazol-1-yl]benzoic acid (AZD8329). J.Med.Chem., 55, 2012
|
|
6DXG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6dxg by Molmil](/molmil-images/mine/6dxg) | amidobenzimidazole (ABZI) STING agonists | 分子名称: | 2-[(1-ethyl-3-methyl-1H-pyrazole-5-carbonyl)amino]-1-[(2R)-2-hydroxy-2-phenylethyl]-1H-benzimidazole-5-carboxamide, CALCIUM ION, Stimulator of interferon protein | 著者 | Concha, N.O. | 登録日 | 2018-06-28 | 公開日 | 2018-11-07 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.905 Å) | 主引用文献 | Design of amidobenzimidazole STING receptor agonists with systemic activity. Nature, 564, 2018
|
|
7YXU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7yxu by Molmil](/molmil-images/mine/7yxu) | Crystal structure of agonistic antibody 1618 fab domain bound to human 4-1BB. | 分子名称: | MANGANESE (II) ION, Tumor necrosis factor receptor superfamily member 9, heavy chain of Fab, ... | 著者 | Hakansson, M, Rose, N, Petersson, J, Enell Smith, K, Thorolfsson, M, von Schantz, L. | 登録日 | 2022-02-16 | 公開日 | 2023-01-25 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.31 Å) | 主引用文献 | The Bispecific Tumor Antigen-Conditional 4-1BB x 5T4 Agonist, ALG.APV-527, Mediates Strong T-Cell Activation and Potent Antitumor Activity in Preclinical Studies. Mol.Cancer Ther., 22, 2023
|
|
4P58
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4p58 by Molmil](/molmil-images/mine/4p58) | Crystal structure of mouse comt bound to an inhibitor | 分子名称: | 1',3'-dimethyl-1H,1'H-3,4'-bipyrazole, Catechol O-methyltransferase | 著者 | Lanier, M. | 登録日 | 2014-03-15 | 公開日 | 2014-06-25 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.06 Å) | 主引用文献 | A fragment-based approach to identifying S-adenosyl-l-methionine -competitive inhibitors of catechol O-methyl transferase (COMT). J.Med.Chem., 57, 2014
|
|
8CK3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8ck3 by Molmil](/molmil-images/mine/8ck3) | STRUCTURE OF HIF2A-ARNT HETERODIMER IN COMPLEX WITH (S)-1-(3,5-Difluoro-phenyl)-5,5-difluoro-3-methanesulfonyl-5,6-dihydro-4H-cyclopenta[c]thiophen-4-ol | 分子名称: | (4~{S})-1-[3,5-bis(fluoranyl)phenyl]-5,5-bis(fluoranyl)-3-methylsulfonyl-4,6-dihydrocyclopenta[c]thiophen-4-ol, Aryl hydrocarbon receptor nuclear translocator, DIMETHYL SULFOXIDE, ... | 著者 | Musil, D, Lehmannn, M, Diehl, L. | 登録日 | 2023-02-14 | 公開日 | 2023-07-19 | 最終更新日 | 2024-06-19 | 実験手法 | X-RAY DIFFRACTION (1.707 Å) | 主引用文献 | Discovery of Cycloalkyl[ c ]thiophenes as Novel Scaffolds for Hypoxia-Inducible Factor-2 alpha Inhibitors. J.Med.Chem., 66, 2023
|
|
8CK8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8ck8 by Molmil](/molmil-images/mine/8ck8) | |
8CK4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8ck4 by Molmil](/molmil-images/mine/8ck4) | STRUCTURE OF HIF2A-ARNT HETERODIMER IN COMPLEX WITH (4S)-1-(3,5-difluorophenyl)-5,5-difluoro-3-methanesulfonyl-4,5,6,7-tetrahydro-2-benzothiophen-4-ol | 分子名称: | (4~{S})-1-[3,5-bis(fluoranyl)phenyl]-5,5-bis(fluoranyl)-3-methylsulfonyl-6,7-dihydro-4~{H}-2-benzothiophen-4-ol, Aryl hydrocarbon receptor nuclear translocator, Endothelial PAS domain-containing protein 1 | 著者 | Musil, D. | 登録日 | 2023-02-14 | 公開日 | 2023-07-19 | 最終更新日 | 2024-06-19 | 実験手法 | X-RAY DIFFRACTION (2.29 Å) | 主引用文献 | Discovery of Cycloalkyl[ c ]thiophenes as Novel Scaffolds for Hypoxia-Inducible Factor-2 alpha Inhibitors. J.Med.Chem., 66, 2023
|
|
6XTA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6xta by Molmil](/molmil-images/mine/6xta) | Recombinant human butyrylcholinesterase in complex with (2S)-N-[2-(1-benzylazepan-4-yl)ethyl]-2-(butylamino)-3-(1H-indol-3-yl)propanamide | 分子名称: | (2~{S})-2-(butylamino)-3-(1~{H}-indol-3-yl)-~{N}-[2-[(4~{R})-1-(phenylmethyl)azepan-4-yl]ethyl]propanamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Brazzolotto, X, Nachon, F, Meden, A, Knez, D, Gobec, S. | 登録日 | 2020-01-15 | 公開日 | 2020-10-28 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Structure-activity relationship study of tryptophan-based butyrylcholinesterase inhibitors. Eur.J.Med.Chem., 208, 2020
|
|