6T7U
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![BU of 6t7u by Molmil](/molmil-images/mine/6t7u) | Carborane inhibitor of Carbonic Anhydrase IX | 分子名称: | Carbonic anhydrase 2, Carborane inhibitor, ZINC ION | 著者 | Brynda, J, Rezacova, P, Kugler, M, Gruner, B. | 登録日 | 2019-10-23 | 公開日 | 2020-06-17 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | 主引用文献 | Sulfonamido carboranes as highly selective inhibitors of cancer-specific carbonic anhydrase IX. Eur.J.Med.Chem., 200, 2020
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6T9Z
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![BU of 6t9z by Molmil](/molmil-images/mine/6t9z) | Nidocarborane inhibitor of Carbonic Anhydrase IX | 分子名称: | Carbonic anhydrase 2, DIMETHYL SULFOXIDE, Nidocarborane, ... | 著者 | Brynda, J, Rezacova, P, Kugler, M, Gruner, B. | 登録日 | 2019-10-29 | 公開日 | 2020-06-17 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.12 Å) | 主引用文献 | Sulfonamido carboranes as highly selective inhibitors of cancer-specific carbonic anhydrase IX. Eur.J.Med.Chem., 200, 2020
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8DG8
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8DG9
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7OX9
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![BU of 7ox9 by Molmil](/molmil-images/mine/7ox9) | Target-bound SpCas9 complex with AAVS1 all-RNA guide | 分子名称: | AAVS1 non-target DNA strand, AAVS1 target DNA strand, CRISPR-associated endonuclease Cas9/Csn1, ... | 著者 | Pacesa, M, Donohoue, P, May, A.P, Jinek, M, Cameron, P. | 登録日 | 2021-06-22 | 公開日 | 2021-09-15 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | 主引用文献 | Conformational control of Cas9 by CRISPR hybrid RNA-DNA guides mitigates off-target activity in T cells. Mol.Cell, 81, 2021
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4R7C
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![BU of 4r7c by Molmil](/molmil-images/mine/4r7c) | Crystal Structure of CNG mimicking NaK-ETPP mutant cocrystallized with DiMethylammonium | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, DIMETHYLAMINE, GLYCINE, ... | 著者 | De March, M, Napolitano, L.M.R, Onesti, S. | 登録日 | 2014-08-27 | 公開日 | 2015-07-01 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | A structural, functional, and computational analysis suggests pore flexibility as the base for the poor selectivity of CNG channels. Proc.Natl.Acad.Sci.USA, 112, 2015
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4QQC
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![BU of 4qqc by Molmil](/molmil-images/mine/4qqc) | Crystal Structure of FGF Receptor (FGFR) 4 Kinase Domain in Complex with FIIN-2, an Irreversible Tyrosine Kinase Inhibitor Capable of Overcoming FGFR Kinase Gate-Keeper Mutations | 分子名称: | Fibroblast growth factor receptor 4, N-(4-{[3-(3,5-dimethoxyphenyl)-7-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-2-oxo-3,4-dihydropyrimido[4,5-d]pyrimidin-1(2H)-yl]methyl}phenyl)propanamide, SULFATE ION | 著者 | Huang, Z, Mohammadi, M. | 登録日 | 2014-06-27 | 公開日 | 2014-10-29 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Development of covalent inhibitors that can overcome resistance to first-generation FGFR kinase inhibitors. Proc.Natl.Acad.Sci.USA, 111, 2014
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7P11
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![BU of 7p11 by Molmil](/molmil-images/mine/7p11) | Galectin-8 N-terminal carbohydrate recognition domain in complex with quinoline D-galactal ligand | 分子名称: | 2-[[(2~{R},3~{R},4~{R})-2-(hydroxymethyl)-3-oxidanyl-3,4-dihydro-2~{H}-pyran-4-yl]oxymethyl]quinoline-7-carboxylic acid, CHLORIDE ION, Galectin-8, ... | 著者 | Hassan, M, Hakansson, M, Nilsson, J.U, Kovacic, R. | 登録日 | 2021-07-01 | 公開日 | 2021-12-15 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Structure-Guided Design of d-Galactal Derivatives with High Affinity and Selectivity for the Galectin-8 N-Terminal Domain. Acs Med.Chem.Lett., 12, 2021
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4R6V
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![BU of 4r6v by Molmil](/molmil-images/mine/4r6v) | Crystal Structure of FGF Receptor (FGFR) 4 Kinase Harboring the V550L Gate-Keeper Mutation in Complex with FIIN-3, an Irreversible Tyrosine Kinase Inhibitor Capable of Overcoming FGFR kinase Gate-Keeper Mutations | 分子名称: | Fibroblast growth factor receptor 4, N-[4-({[(2,6-dichloro-3,5-dimethoxyphenyl)carbamoyl](6-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)amino}methyl)phenyl]propanamide, SULFATE ION | 著者 | Huang, Z, Mohammadi, M. | 登録日 | 2014-08-26 | 公開日 | 2014-10-29 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.353 Å) | 主引用文献 | Development of covalent inhibitors that can overcome resistance to first-generation FGFR kinase inhibitors. Proc.Natl.Acad.Sci.USA, 111, 2014
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4R6Z
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![BU of 4r6z by Molmil](/molmil-images/mine/4r6z) | Crystal Structure of CNG mimicking NaK mutant, NaK-ETPP, Cs+ complex | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, CESIUM ION, GLYCINE, ... | 著者 | De March, M, Napolitano, L.M.R, Onesti, S. | 登録日 | 2014-08-26 | 公開日 | 2015-07-01 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | A structural, functional, and computational analysis suggests pore flexibility as the base for the poor selectivity of CNG channels. Proc.Natl.Acad.Sci.USA, 112, 2015
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7P1M
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![BU of 7p1m by Molmil](/molmil-images/mine/7p1m) | Galectin-8 N-terminal carbohydrate recognition domain in complex with benzimidazole D-galactal ligand | 分子名称: | 2-[[(2R,3R,4R)-2-(hydroxymethyl)-3-oxidanyl-3,4-dihydro-2H-pyran-4-yl]oxymethyl]-3-methyl-benzimidazole-5-carboxylic acid, CHLORIDE ION, Galectin-8 | 著者 | Hassan, M, Hakansson, M, Nilsson, J.U, Kovacic, R. | 登録日 | 2021-07-02 | 公開日 | 2021-12-15 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.52 Å) | 主引用文献 | Structure-Guided Design of d-Galactal Derivatives with High Affinity and Selectivity for the Galectin-8 N-Terminal Domain. Acs Med.Chem.Lett., 12, 2021
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4R8C
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![BU of 4r8c by Molmil](/molmil-images/mine/4r8c) | Crystal Structure of CNG mimicking NaK-ETPP mutant in complex with Rb+ | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, GLYCINE, Potassium channel protein, ... | 著者 | De March, M, Napolitano, L.M.R, Onesti, S. | 登録日 | 2014-09-01 | 公開日 | 2015-07-01 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | A structural, functional, and computational analysis suggests pore flexibility as the base for the poor selectivity of CNG channels. Proc.Natl.Acad.Sci.USA, 112, 2015
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8GNG
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![BU of 8gng by Molmil](/molmil-images/mine/8gng) | Crystal structure of human adenosine A2A receptor in complex with istradefylline. | 分子名称: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 8-[(~{E})-2-(3,4-dimethoxyphenyl)ethenyl]-1,3-diethyl-7-methyl-purine-2,6-dione, Adenosine receptor A2a, ... | 著者 | Suzuki, M, Saito, J, Miyagi, H, Yasunaga, M. | 登録日 | 2022-08-23 | 公開日 | 2023-03-22 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | 主引用文献 | In Vitro Pharmacological Profile of KW-6356, a Novel Adenosine A 2A Receptor Antagonist/Inverse Agonist. Mol.Pharmacol., 103, 2023
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8GNE
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![BU of 8gne by Molmil](/molmil-images/mine/8gne) | Crystal structure of human adenosine A2A receptor in complex with an insurmountable inverse agonist, KW-6356. | 分子名称: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, Adenosine receptor A2a,Soluble cytochrome b562, ... | 著者 | Suzuki, M, Saito, J, Miyagi, H, Yasunaga, M. | 登録日 | 2022-08-23 | 公開日 | 2023-03-22 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | In Vitro Pharmacological Profile of KW-6356, a Novel Adenosine A 2A Receptor Antagonist/Inverse Agonist. Mol.Pharmacol., 103, 2023
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4RBZ
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4RAI
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![BU of 4rai by Molmil](/molmil-images/mine/4rai) | Crystal Structure of CNG mimicking NaK-ETPP mutant in complex with Na+ | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, GLYCINE, Potassium channel protein, ... | 著者 | De March, M, Napolitano, L.M.R, Onesti, S. | 登録日 | 2014-09-10 | 公開日 | 2015-07-01 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.31 Å) | 主引用文献 | A structural, functional, and computational analysis suggests pore flexibility as the base for the poor selectivity of CNG channels. Proc.Natl.Acad.Sci.USA, 112, 2015
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5GV0
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![BU of 5gv0 by Molmil](/molmil-images/mine/5gv0) | Crystal structure of the membrane-proximal domain of mouse lysosome-associated membrane protein 1 (LAMP-1) | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Lysosome-associated membrane glycoprotein 1, SULFATE ION | 著者 | Tomabechi, Y, Ehara, H, Kukimoto-Niino, M, Shirouzu, M. | 登録日 | 2016-09-01 | 公開日 | 2016-10-12 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Lysosome-associated membrane proteins-1 and -2 (LAMP-1 and LAMP-2) assemble via distinct modes Biochem.Biophys.Res.Commun., 479, 2016
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7OPQ
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![BU of 7opq by Molmil](/molmil-images/mine/7opq) | Rab27a fusion with Slp2a-RBDa1 effector covalent adduct with CA1 in C188 | 分子名称: | 1-[(2~{S})-2-(4-methoxyphenyl)pyrrolidin-1-yl]propan-1-one, GLYCEROL, MAGNESIUM ION, ... | 著者 | Jamshidiha, M, Tersa, M, Lanyon-Hogg, T, Perez-Dorado, I, Sutherell, C.L, De Vita, E, Morgan, R.M.L, Tate, E.W, Cota, E. | 登録日 | 2021-06-01 | 公開日 | 2022-04-06 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.23 Å) | 主引用文献 | Identification of the first structurally validated covalent ligands of the small GTPase RAB27A. Rsc Med Chem, 13, 2022
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7OPR
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![BU of 7opr by Molmil](/molmil-images/mine/7opr) | Rab27a fusion with Slp2a-RBDa1 effector covalent adduct with CB1 in C123 | 分子名称: | GLYCEROL, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ... | 著者 | Jamshidiha, M, Tersa, M, Lanyon-Hogg, T, Perez-Dorado, I, Sutherell, C.L, De Vita, E, Morgan, R.M.L, Tate, E.W, Cota, E. | 登録日 | 2021-06-01 | 公開日 | 2022-04-06 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.32 Å) | 主引用文献 | Identification of the first structurally validated covalent ligands of the small GTPase RAB27A. Rsc Med Chem, 13, 2022
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7OPP
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![BU of 7opp by Molmil](/molmil-images/mine/7opp) | Crystal structure of the Rab27a fusion with Slp2a-RBDa1 effector for SF4 pocket drug targeting | 分子名称: | MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, Synaptotagmin-like protein 2,Ras-related protein Rab-27A | 著者 | Jamshidiha, M, Tersa, M, Lanyon-Hogg, T, Perez-Dorado, I, Sutherell, C.L, De Vita, E, Morgan, R.M.L, Tate, E.W, Cota, E. | 登録日 | 2021-06-01 | 公開日 | 2022-04-06 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.32 Å) | 主引用文献 | Identification of the first structurally validated covalent ligands of the small GTPase RAB27A. Rsc Med Chem, 13, 2022
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6Z0F
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![BU of 6z0f by Molmil](/molmil-images/mine/6z0f) | Crystal structure of the membrane pseudokinase YukC/EssB from Bacillus subtilis T7SS | 分子名称: | ESX secretion system protein YukC | 著者 | Tassinari, M, Bellinzoni, M, Alzari, P.M, Fronzes, R, Gubellini, F. | 登録日 | 2020-05-08 | 公開日 | 2021-05-19 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.553 Å) | 主引用文献 | The Antibacterial Type VII Secretion System of Bacillus subtilis: Structure and Interactions of the Pseudokinase YukC/EssB. Mbio, 13, 2022
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6WJ5
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![BU of 6wj5 by Molmil](/molmil-images/mine/6wj5) | Structure of human TRPA1 in complex with inhibitor GDC-0334 | 分子名称: | (4R,5S)-4-fluoro-1-[(4-fluorophenyl)sulfonyl]-5-methyl-N-({5-(trifluoromethyl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]pyridin-4-yl}methyl)-L-prolinamide, Transient receptor potential cation channel subfamily A member 1 | 著者 | Rohou, A, Rouge, L, Arthur, C.P, Volgraf, M, Chen, H. | 登録日 | 2020-04-11 | 公開日 | 2021-02-17 | 最終更新日 | 2024-05-29 | 実験手法 | ELECTRON MICROSCOPY (3.6 Å) | 主引用文献 | A TRPA1 inhibitor suppresses neurogenic inflammation and airway contraction for asthma treatment. J.Exp.Med., 218, 2021
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7OY9
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5VZX
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![BU of 5vzx by Molmil](/molmil-images/mine/5vzx) | Crystal structure of crenezumab Fab | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Crenezumab Fab heavy chain, ... | 著者 | Ultsch, M, Wang, W. | 登録日 | 2017-05-29 | 公開日 | 2017-08-09 | 実験手法 | X-RAY DIFFRACTION (2.501 Å) | 主引用文献 | Structure of Crenezumab Complex with Abeta Shows Loss of beta-Hairpin. Sci Rep, 6, 2016
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5GV3
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![BU of 5gv3 by Molmil](/molmil-images/mine/5gv3) | Crystal structure of the membrane-distal domain of mouse lysosome-associated membrane protein 2 (LAMP-2) | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Lysosome-associated membrane glycoprotein 2, ZINC ION | 著者 | Tomabechi, Y, Ehara, H, Kukimoto-Niino, M, Shirouzu, M. | 登録日 | 2016-09-01 | 公開日 | 2017-09-06 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (2.096 Å) | 主引用文献 | Lysosome-associated membrane proteins-1 and -2 (LAMP-1 and LAMP-2) assemble via distinct modes. Biochem. Biophys. Res. Commun., 479, 2016
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