8QE3
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8QE1
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8QDY
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6T2W
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![BU of 6t2w by Molmil](/molmil-images/mine/6t2w) | Crystal structure of the CSF1R kinase domain with a dihydropurinone inhibitor (compound 4) | 分子名称: | 2-[(4-methoxy-2-methyl-phenyl)amino]-7-methyl-9-(4-oxidanylcyclohexyl)purin-8-one, Macrophage colony-stimulating factor 1 receptor, SULFATE ION | 著者 | Schimpl, M, Goldberg, F.W, Finlay, M.R.V, Ting, A.K.T, Beattie, D, Lamont, G.M, Fallan, C, Wrigley, G.L, Howard, M.R, Williamson, B, Davies, B.R, Cadogan, E.B, Ramos-Montoya, A, Dean, E. | 登録日 | 2019-10-09 | 公開日 | 2020-01-01 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | The Discovery of 7-Methyl-2-[(7-methyl[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]-9-(tetrahydro-2H-pyran-4-yl)-7,9-dihydro-8H-purin-8-one (AZD7648), a Potent and Selective DNA-Dependent Protein Kinase (DNA-PK) Inhibitor. J.Med.Chem., 63, 2020
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8QE2
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8QE0
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6D2M
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![BU of 6d2m by Molmil](/molmil-images/mine/6d2m) | Beta Carbonic anhydrase in complex with thiocyanate | 分子名称: | Carbonic anhydrase, IMIDAZOLE, ZINC ION | 著者 | Murray, A, Aggarwal, M, Pinard, M, McKenna, R. | 登録日 | 2018-04-13 | 公開日 | 2018-09-05 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Structural Mapping of Anion Inhibitors to beta-Carbonic Anhydrase psCA3 from Pseudomonas aeruginosa. ChemMedChem, 13, 2018
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6D2J
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![BU of 6d2j by Molmil](/molmil-images/mine/6d2j) | Beta Carbonic anhydrase in complex with thiocyanate | 分子名称: | Carbonic anhydrase, POTASSIUM ION, THIOCYANATE ION, ... | 著者 | Murray, A, Aggarwal, M, Pinard, M, McKenna, R. | 登録日 | 2018-04-13 | 公開日 | 2018-09-05 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Structural Mapping of Anion Inhibitors to beta-Carbonic Anhydrase psCA3 from Pseudomonas aeruginosa. ChemMedChem, 13, 2018
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6D2O
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![BU of 6d2o by Molmil](/molmil-images/mine/6d2o) | Beta Carbonic anhydrase in complex with 4-methylimidazole | 分子名称: | 4-METHYLIMIDAZOLE, Carbonic anhydrase, ZINC ION | 著者 | Murray, A, Aggarwal, M, Pinard, M, McKenna, R. | 登録日 | 2018-04-13 | 公開日 | 2018-09-05 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Structural Mapping of Anion Inhibitors to beta-Carbonic Anhydrase psCA3 from Pseudomonas aeruginosa. ChemMedChem, 13, 2018
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6URC
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![BU of 6urc by Molmil](/molmil-images/mine/6urc) | Crystal structure of IRE1a in complex with compound 18 | 分子名称: | 2-chloro-N-(6-methyl-5-{[3-(2-{[(3S)-piperidin-3-yl]amino}pyrimidin-4-yl)pyridin-2-yl]oxy}naphthalen-1-yl)benzene-1-sulfonamide, GLYCEROL, Serine/threonine-protein kinase/endoribonuclease IRE1 | 著者 | Wallweber, H.H, Wang, W. | 登録日 | 2019-10-23 | 公開日 | 2019-11-06 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Disruption of IRE1 alpha through its kinase domain attenuates multiple myeloma. Proc. Natl. Acad. Sci. U.S.A., 116, 2019
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7Z61
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![BU of 7z61 by Molmil](/molmil-images/mine/7z61) | Crystal structure of PI3Kgamma with a dihydropurinone inhibitor (compound 18) | 分子名称: | 9-[(3~{R},4~{R})-4-fluoranylpyrrolidin-3-yl]-7-methyl-2-[(7-methylquinolin-6-yl)amino]purin-8-one, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | 著者 | Goldberg, F.W, Ting, A.K.T, Schimpl, M. | 登録日 | 2022-03-10 | 公開日 | 2022-07-13 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (2.738 Å) | 主引用文献 | Optimization of hERG and Pharmacokinetic Properties for Basic Dihydro-8 H -purin-8-one Inhibitors of DNA-PK. Acs Med.Chem.Lett., 13, 2022
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6D2N
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![BU of 6d2n by Molmil](/molmil-images/mine/6d2n) | Beta Carbonic anhydrase in complex with a sulfonamide anion | 分子名称: | Carbonic anhydrase, ZINC ION, sulfuric diamide | 著者 | Murray, A, Aggarwal, M, Pinard, M, McKenna, R. | 登録日 | 2018-04-13 | 公開日 | 2018-09-05 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Structural Mapping of Anion Inhibitors to beta-Carbonic Anhydrase psCA3 from Pseudomonas aeruginosa. ChemMedChem, 13, 2018
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6Z3S
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![BU of 6z3s by Molmil](/molmil-images/mine/6z3s) | Crystal structure of delta466-491 cystathionine beta-synthase from Toxoplasma gondii with O-Acetylserine | 分子名称: | 2-[({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYL)AMINO]ACRYLIC ACID, Cystathionine beta-synthase | 著者 | Fernandez-Rodriguez, C, Oyenarte, I, Conter, C, Gonzalez-Recio, I, Quintana, I, Martinez-Chantar, M, Astegno, A, Martinez-Cruz, L.A. | 登録日 | 2020-05-21 | 公開日 | 2021-06-02 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (3.048 Å) | 主引用文献 | Structural insight into the unique conformation of cystathionine beta-synthase from Toxoplasma gondii . Comput Struct Biotechnol J, 19, 2021
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6DXH
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![BU of 6dxh by Molmil](/molmil-images/mine/6dxh) | Structure of USP5 zinc-finger ubiquitin binding domain co-crystallized with 4-(4-tert-butylphenyl)-4-oxobutanoate | 分子名称: | 4-(4-tert-butylphenyl)-4-oxobutanoic acid, UNKNOWN ATOM OR ION, Ubiquitin carboxyl-terminal hydrolase 5, ... | 著者 | Harding, R.J, Mann, M.K, Ravichandran, M, Ferreira de Freitas, R, Franzoni, I, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Schapira, M, Structural Genomics Consortium (SGC) | 登録日 | 2018-06-28 | 公開日 | 2018-07-18 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Discovery of Small Molecule Antagonists of the USP5 Zinc Finger Ubiquitin-Binding Domain. J.Med.Chem., 62, 2019
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6DXT
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![BU of 6dxt by Molmil](/molmil-images/mine/6dxt) | Structure of USP5 zinc-finger ubiquitin binding domain co-crystallized with 3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoate | 分子名称: | 1,2-ETHANEDIOL, 3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoic acid, UNKNOWN ATOM OR ION, ... | 著者 | Mann, M.K, Harding, R.J, Ravichandran, M, Ferreira de Freitas, R, Franzoni, I, Bountra, C, Edwards, A.M, Arrowsmith, C.M, Schapira, M, Structural Genomics Consortium (SGC) | 登録日 | 2018-06-29 | 公開日 | 2018-08-08 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Discovery of Small Molecule Antagonists of the USP5 Zinc Finger Ubiquitin-Binding Domain. J.Med.Chem., 62, 2019
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6OE7
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![BU of 6oe7 by Molmil](/molmil-images/mine/6oe7) | Crystal structure of HMCES cross-linked to DNA abasic site | 分子名称: | 1,2-ETHANEDIOL, DNA (5'-D(*CP*CP*AP*GP*AP*CP*GP*TP*(DRZ)P*GP*TP*T)-3'), DNA (5'-D(*GP*TP*CP*TP*GP*G)-3'), ... | 著者 | Halabelian, L, Li, Y, Zeng, H, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Structural Genomics Consortium (SGC) | 登録日 | 2019-03-27 | 公開日 | 2019-04-24 | 最終更新日 | 2019-07-17 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Structural basis of HMCES interactions with abasic DNA and multivalent substrate recognition. Nat.Struct.Mol.Biol., 26, 2019
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6ZS7
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![BU of 6zs7 by Molmil](/molmil-images/mine/6zs7) | Crystal structure of delta466-491 cystathionine beta-synthase from Toxoplasma gondii with L-cysteine | 分子名称: | 2-[({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYL)AMINO]ACRYLIC ACID, Cystathionine beta-synthase | 著者 | Fernandez-Rodriguez, C, Oyenarte, I, Conter, C, Gonzalez-Recio, I, Quintana, I, Martinez-Chantar, M, Astegno, A, Martinez-Cruz, L.A. | 登録日 | 2020-07-15 | 公開日 | 2021-07-28 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (3.5 Å) | 主引用文献 | Structural insight into the unique conformation of cystathionine beta-synthase from Toxoplasma gondii . Comput Struct Biotechnol J, 19, 2021
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3I91
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![BU of 3i91 by Molmil](/molmil-images/mine/3i91) | Crystal structure of human chromobox homolog 8 (CBX8) with H3K9 peptide | 分子名称: | Chromobox protein homolog 8, H3K9 peptide | 著者 | Amaya, M.F, Ravichandran, M, Loppnau, P, Kozieradzki, I, Edwards, A.M, Arrowsmith, C.H, Weigelt, J, Bountra, C, Bochkarev, A, Min, J, Ouyang, H, Structural Genomics Consortium (SGC) | 登録日 | 2009-07-10 | 公開日 | 2009-09-08 | 最終更新日 | 2017-11-01 | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | 主引用文献 | Recognition and specificity determinants of the human cbx chromodomains. J.Biol.Chem., 286, 2011
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3I90
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![BU of 3i90 by Molmil](/molmil-images/mine/3i90) | Crystal structure of human chromobox homolog 6 (CBX6) with H3K27 peptide | 分子名称: | Chromobox protein homolog 6, H3K27 peptide | 著者 | Amaya, M.F, Ravichandran, M, Loppnau, P, Kozieradzki, I, Edwards, A.M, Arrowsmith, C.H, Weigelt, J, Bountra, C, Bochkarev, A, Min, J, Ouyang, H, Structural Genomics Consortium (SGC) | 登録日 | 2009-07-10 | 公開日 | 2009-09-08 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Recognition and specificity determinants of the human cbx chromodomains. J.Biol.Chem., 286, 2011
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3FDT
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![BU of 3fdt by Molmil](/molmil-images/mine/3fdt) | Crystal structure of the complex of human chromobox homolog 5 (CBX5) with H3K9(me)3 peptide | 分子名称: | Chromobox protein homolog 5, H3K9(me)3 peptide | 著者 | Amaya, M.F, Ravichandran, M, Loppnau, P, Kozieradzki, I, Edwards, A.M, Arrowsmith, C.H, Weigelt, J, Bountra, C, Bochkarev, A, Min, J, Ouyang, H, Structural Genomics Consortium (SGC) | 登録日 | 2008-11-26 | 公開日 | 2009-01-13 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Recognition and specificity determinants of the human cbx chromodomains. J.Biol.Chem., 286, 2011
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3H91
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![BU of 3h91 by Molmil](/molmil-images/mine/3h91) | Crystal structure of the complex of human chromobox homolog 2 (CBX2) and H3K27 peptide | 分子名称: | Chromobox protein homolog 2, H3K27 peptide | 著者 | Amaya, M.F, Ravichandran, M, Loppnau, P, Kozieradzki, I, Edwards, A.M, Arrowsmith, C.H, Weigelt, J, Bountra, C, Bochkarev, A, Min, J, Ouyang, H, Structural Genomics Consortium (SGC) | 登録日 | 2009-04-29 | 公開日 | 2009-08-18 | 最終更新日 | 2017-11-01 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Recognition and specificity determinants of the human cbx chromodomains. J.Biol.Chem., 286, 2011
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4WV1
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6Q9N
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![BU of 6q9n by Molmil](/molmil-images/mine/6q9n) | Crystal structure of PBP2a from MRSA in complex with piperacillin and quinazolinone | 分子名称: | 3-[2-[(~{E})-2-(4-ethynylphenyl)ethenyl]-4-oxidanylidene-quinazolin-3-yl]benzoic acid, CADMIUM ION, CHLORIDE ION, ... | 著者 | Martinez-Caballero, S, Batuecas, M.T, Hermoso, J.A. | 登録日 | 2018-12-18 | 公開日 | 2019-11-27 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | The Quinazolinone Allosteric Inhibitor of PBP 2a Synergizes with Piperacillin and Tazobactam against Methicillin-Resistant Staphylococcus aureus. Antimicrob.Agents Chemother., 63, 2019
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3H5Z
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![BU of 3h5z by Molmil](/molmil-images/mine/3h5z) | Crystal Structure of Leishmania major N-myristoyltransferase with bound myristoyl-CoA | 分子名称: | 1,2-ETHANEDIOL, Glycylpeptide N-tetradecanoyltransferase, TETRADECANOYL-COA, ... | 著者 | Qiu, W, Hutchinson, A, Lin, Y.-H, Wernimont, A, Mackenzie, F, Ravichandran, M, Cossar, D, Zhao, Y, Schapira, M, Arrowsmith, C.H, Bountra, C, Weigelt, J, Edwards, A.M, Ferguson, M.A.J, Fairlamb, A.H, Hui, R, Structural Genomics Consortium (SGC) | 登録日 | 2009-04-22 | 公開日 | 2009-05-12 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (1.49 Å) | 主引用文献 | N-myristoyltransferase inhibitors as new leads to treat sleeping sickness. Nature, 464, 2010
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8E1O
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![BU of 8e1o by Molmil](/molmil-images/mine/8e1o) | Crystal structure of hTEAD2 bound to a methoxypyridine lipid pocket binder | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5-methoxy-N-({3-[2-(methylamino)-2-oxoethyl]phenyl}methyl)-4-{(E)-2-[trans-4-(trifluoromethyl)cyclohexyl]ethenyl}pyridine-2-carboxamide, Transcriptional enhancer factor TEF-4 | 著者 | Noland, C.L, Dey, A, Zbieg, J, Crawford, J. | 登録日 | 2022-08-10 | 公開日 | 2023-08-16 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | 主引用文献 | Targeting the Hippo pathway in cancers via ubiquitination dependent TEAD degradation Biorxiv, 2024
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