7H5V
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![BU of 7h5v by Molmil](/molmil-images/mine/7h5v) | Crystal structure of endothiapepsin PF_cryo1 in complex with JFD03909 at 100 K | 分子名称: | 1,10-PHENANTHROLINE, DIMETHYL SULFOXIDE, Endothiapepsin | 著者 | Huang, C.-Y, Aumonier, S, Olieric, V, Wang, M. | 登録日 | 2024-04-10 | 公開日 | 2024-08-07 | 実験手法 | X-RAY DIFFRACTION (1.985 Å) | 主引用文献 | Cryo2RT: a high-throughput method for room-temperature macromolecular crystallography from cryocooled crystals. Acta Crystallogr D Struct Biol, 2024
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7H5W
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7JO3
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![BU of 7jo3 by Molmil](/molmil-images/mine/7jo3) | Carbonic Anhydrase IX Mimic Complexed with N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)pivalamide | 分子名称: | 2,2-dimethyl-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propanamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... | 著者 | Andring, J.T, McKenna, R. | 登録日 | 2020-08-05 | 公開日 | 2020-11-04 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.454 Å) | 主引用文献 | Structural Basis of Nanomolar Inhibition of Tumor-Associated Carbonic Anhydrase IX: X-Ray Crystallographic and Inhibition Study of Lipophilic Inhibitors with Acetazolamide Backbone. J.Med.Chem., 63, 2020
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6FNI
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![BU of 6fni by Molmil](/molmil-images/mine/6fni) | Crystal Structure of Ephrin B4 (EphB4) Receptor Protein Kinase with NVP-BHG712 | 分子名称: | 4-methyl-3-[(1-methyl-6-pyridin-3-yl-pyrazolo[3,4-d]pyrimidin-4-yl)amino]-~{N}-[3-(trifluoromethyl)phenyl]benzamide, Ephrin type-B receptor 4 | 著者 | Kudlinzki, D, Troester, A, Witt, K, Linhard, V.L, Saxena, K, Schwalbe, H. | 登録日 | 2018-02-04 | 公開日 | 2018-08-08 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.468 Å) | 主引用文献 | NVP-BHG712: Effects of Regioisomers on the Affinity and Selectivity toward the EPHrin Family. ChemMedChem, 13, 2018
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7JNX
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![BU of 7jnx by Molmil](/molmil-images/mine/7jnx) | Carbonic Anhydrase II Complexed with N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)pivalamide | 分子名称: | 2,2-dimethyl-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propanamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... | 著者 | Andring, J.T, McKenna, R. | 登録日 | 2020-08-05 | 公開日 | 2020-11-04 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.286 Å) | 主引用文献 | Structural Basis of Nanomolar Inhibition of Tumor-Associated Carbonic Anhydrase IX: X-Ray Crystallographic and Inhibition Study of Lipophilic Inhibitors with Acetazolamide Backbone. J.Med.Chem., 63, 2020
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7JO0
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![BU of 7jo0 by Molmil](/molmil-images/mine/7jo0) | Carbonic Anhydrase IX Mimic Complexed with N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propionamide | 分子名称: | Carbonic anhydrase 2, N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propanamide, ZINC ION | 著者 | Andring, J.T, McKenna, R. | 登録日 | 2020-08-05 | 公開日 | 2020-11-04 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.607 Å) | 主引用文献 | Structural Basis of Nanomolar Inhibition of Tumor-Associated Carbonic Anhydrase IX: X-Ray Crystallographic and Inhibition Study of Lipophilic Inhibitors with Acetazolamide Backbone. J.Med.Chem., 63, 2020
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6N72
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7K99
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![BU of 7k99 by Molmil](/molmil-images/mine/7k99) | Crystal Structure of P. aeruginosa LpxC with N-Hydroxyformamide inhibitor 19 | 分子名称: | (hydroxy{(1S)-1-(methylsulfanyl)-2-[5-({4-[(morpholin-4-yl)methyl]phenyl}ethynyl)-1H-benzotriazol-1-yl]ethyl}amino)methanol, GLYCEROL, SULFATE ION, ... | 著者 | Sacco, M, Chen, Y. | 登録日 | 2020-09-28 | 公開日 | 2020-11-25 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | N-Hydroxyformamide LpxC inhibitors, their in vivo efficacy in a mouse Escherichia coli infection model, and their safety in a rat hemodynamic assay. Bioorg.Med.Chem., 28, 2020
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7JO1
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![BU of 7jo1 by Molmil](/molmil-images/mine/7jo1) | Carbonic Anhydrase IX Mimic Complexed with N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)butyramide | 分子名称: | Carbonic anhydrase 2, DIMETHYL SULFOXIDE, N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)butanamide, ... | 著者 | Andring, J.T, McKenna, R. | 登録日 | 2020-08-05 | 公開日 | 2020-11-04 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.499 Å) | 主引用文献 | Structural Basis of Nanomolar Inhibition of Tumor-Associated Carbonic Anhydrase IX: X-Ray Crystallographic and Inhibition Study of Lipophilic Inhibitors with Acetazolamide Backbone. J.Med.Chem., 63, 2020
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7JOB
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![BU of 7job by Molmil](/molmil-images/mine/7job) | Carbonic Anhydrase IX Mimic Complexed with N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide | 分子名称: | Carbonic anhydrase 2, DIMETHYL SULFOXIDE, N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide, ... | 著者 | Andring, J.T, McKenna, R. | 登録日 | 2020-08-06 | 公開日 | 2020-11-04 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.381 Å) | 主引用文献 | Structural Basis of Nanomolar Inhibition of Tumor-Associated Carbonic Anhydrase IX: X-Ray Crystallographic and Inhibition Study of Lipophilic Inhibitors with Acetazolamide Backbone. J.Med.Chem., 63, 2020
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6N76
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7K3T
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![BU of 7k3t by Molmil](/molmil-images/mine/7k3t) | Crystal Structure of SARS-CoV-2 Main Protease (3CLpro/Mpro) at 1.2 A Resolution and a Possible Capture of Zinc Binding Intermediate | 分子名称: | 3C-like proteinase, DIMETHYL SULFOXIDE, ZINC ION | 著者 | Andi, B, Kumaran, D, Kreitler, D.F, Soares, A.S, Shi, W, Jakoncic, J, Fuchs, M.R, Keereetaweep, J, Shanklin, J, McSweeney, S. | 登録日 | 2020-09-13 | 公開日 | 2020-09-23 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | 主引用文献 | Hepatitis C virus NS3/4A inhibitors and other drug-like compounds as covalent binders of SARS-CoV-2 main protease. Sci Rep, 12, 2022
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6G5J
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![BU of 6g5j by Molmil](/molmil-images/mine/6g5j) | Secreted phospholipase A2 type X in complex with ligand | 分子名称: | (3~{R})-3-[3-[2-aminocarbonyl-6-(trifluoromethyloxy)indol-1-yl]phenyl]butanoic acid, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... | 著者 | Sandmark, J, Oster, L. | 登録日 | 2018-03-29 | 公開日 | 2018-09-05 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Design of Selective sPLA2-X Inhibitor (-)-2-{2-[Carbamoyl-6-(trifluoromethoxy)-1H-indol-1-yl]pyridine-2-yl}propanoic Acid. ACS Med Chem Lett, 9, 2018
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7LYE
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6G83
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![BU of 6g83 by Molmil](/molmil-images/mine/6g83) | Crystal structure of M. tuberculosis DprE1 in complex with sPBTZ169 (sulfonylPBTZ) | 分子名称: | Decaprenylphosphoryl-beta-D-ribose oxidase, FLAVIN-ADENINE DINUCLEOTIDE, [2-(4-cyclohexylsulfonylpiperazin-1-yl)-4-oxidanylidene-6-(trifluoromethyl)-1,3-benzothiazin-8-yl]-oxidanylidene-azanium | 著者 | Piton, J, Makarov, V, Cole, S.T. | 登録日 | 2018-04-07 | 公開日 | 2018-08-01 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Structure-Based Drug Design and Characterization of Sulfonyl-Piperazine Benzothiazinone Inhibitors of DprE1 from Mycobacterium tuberculosis. Antimicrob. Agents Chemother., 62, 2018
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6GB6
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![BU of 6gb6 by Molmil](/molmil-images/mine/6gb6) | Structure of H-2Kb with dipeptide GL | 分子名称: | Beta-2-microglobulin, GLYCEROL, GLYCINE, ... | 著者 | Hafstrand, I, Sandalova, T, Achour, A. | 登録日 | 2018-04-13 | 公開日 | 2019-03-06 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.78 Å) | 主引用文献 | Successive crystal structure snapshots suggest the basis for MHC class I peptide loading and editing by tapasin. Proc.Natl.Acad.Sci.USA, 116, 2019
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6N8D
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7LUE
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6NF6
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![BU of 6nf6 by Molmil](/molmil-images/mine/6nf6) | Structure of chicken Otop3 in nanodiscs | 分子名称: | CHOLESTEROL HEMISUCCINATE, Otopetrin3 | 著者 | Saotome, K, Lee, W.H, Liman, E.R, Ward, A.B. | 登録日 | 2018-12-18 | 公開日 | 2019-06-05 | 最終更新日 | 2024-03-20 | 実験手法 | ELECTRON MICROSCOPY (3.32 Å) | 主引用文献 | Structures of the otopetrin proton channels Otop1 and Otop3. Nat.Struct.Mol.Biol., 26, 2019
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7LUD
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![BU of 7lud by Molmil](/molmil-images/mine/7lud) | Crystal structure of Fab ADI-14442 | 分子名称: | ADI-14442 Fab Heavy chain, ADI-14442 Fab Light chain, SULFATE ION | 著者 | Rush, S.A, McLellan, J.S. | 登録日 | 2021-02-22 | 公開日 | 2021-06-16 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | Vaccination with prefusion-stabilized respiratory syncytial virus fusion protein induces genetically and antigenically diverse antibody responses. Immunity, 54, 2021
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6N3K
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![BU of 6n3k by Molmil](/molmil-images/mine/6n3k) | Crystal structure of an epoxide hydrolase from Trichoderma reesei in complex with inhibitor 1 | 分子名称: | Epoxide hydrolase, N-{cis-4-[(2,6-difluorophenyl)methoxy]cyclohexyl}-N'-(3-phenylpropyl)urea | 著者 | de Oliveira, G.S, Adriani, P.P, Ribeiro, J.A, Morisseau, C, Hammock, B.D, Dias, M.V, Chambergo, F.S. | 登録日 | 2018-11-15 | 公開日 | 2019-11-20 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | The molecular structure of an epoxide hydrolase from Trichoderma reesei in complex with urea or amide-based inhibitors. Int. J. Biol. Macromol., 129, 2019
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6FNF
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![BU of 6fnf by Molmil](/molmil-images/mine/6fnf) | Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with NVP-BHG712 | 分子名称: | 4-methyl-3-[(1-methyl-6-pyridin-3-yl-pyrazolo[3,4-d]pyrimidin-4-yl)amino]-~{N}-[3-(trifluoromethyl)phenyl]benzamide, Ephrin type-A receptor 2 | 著者 | Kudlinzki, D, Troester, A, Witt, K, Linhard, V.L, Gande, S.L, Saxena, K, Schwalbe, H. | 登録日 | 2018-02-04 | 公開日 | 2018-08-08 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.556 Å) | 主引用文献 | NVP-BHG712: Effects of Regioisomers on the Affinity and Selectivity toward the EPHrin Family. ChemMedChem, 13, 2018
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6N73
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6FNK
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![BU of 6fnk by Molmil](/molmil-images/mine/6fnk) | Crystal Structure of Ephrin B4 (EphB4) Receptor Protein Kinase with a pyrazolo[3,4-d]pyrimidine fragment of NVP-BHG712 | 分子名称: | 1,2-ETHANEDIOL, 1-methyl-6-pyridin-3-yl-pyrazolo[3,4-d]pyrimidin-4-amine, Ephrin type-B receptor 4 | 著者 | Kudlinzki, D, Troester, A, Witt, K, Linhard, V.L, Saxena, K, Schwalbe, H. | 登録日 | 2018-02-04 | 公開日 | 2018-08-08 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.049 Å) | 主引用文献 | NVP-BHG712: Effects of Regioisomers on the Affinity and Selectivity toward the EPHrin Family. ChemMedChem, 13, 2018
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7K88
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![BU of 7k88 by Molmil](/molmil-images/mine/7k88) | Crystal structure of bovine RPE65 in complex with hexaethylene glycol monooctyl ether | 分子名称: | 3,6,9,12,15,18-hexaoxahexacosan-1-ol, FE (II) ION, Retinoid isomerohydrolase, ... | 著者 | Kiser, P.D. | 登録日 | 2020-09-26 | 公開日 | 2021-06-02 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Rational Alteration of Pharmacokinetics of Chiral Fluorinated and Deuterated Derivatives of Emixustat for Retinal Therapy. J.Med.Chem., 64, 2021
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