5MT4
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5N5K
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5NB7
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![BU of 5nb7 by Molmil](/molmil-images/mine/5nb7) | Complement factor D | 分子名称: | 1-[2-[(1~{R},3~{S},5~{R})-3-[(6-bromanylpyridin-2-yl)carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxidanylidene-ethyl]indazole-3-carboxamide, Complement factor D, DIMETHYL SULFOXIDE | 著者 | Mac Sweeney, A, Ostermann, N. | 登録日 | 2017-03-01 | 公開日 | 2017-06-28 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.33 Å) | 主引用文献 | Discovery of Highly Potent and Selective Small-Molecule Reversible Factor D Inhibitors Demonstrating Alternative Complement Pathway Inhibition in Vivo. J. Med. Chem., 60, 2017
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5NO1
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6H1I
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![BU of 6h1i by Molmil](/molmil-images/mine/6h1i) | Crystal structure of human Pirin in complex with bisamide compound 2 | 分子名称: | FE (III) ION, GLYCEROL, Pirin, ... | 著者 | Ali, S, Le Bihan, Y.V, van Montfort, R.L.M. | 登録日 | 2018-07-11 | 公開日 | 2018-11-28 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.69 Å) | 主引用文献 | Privileged Structures and Polypharmacology within and between Protein Families. ACS Med Chem Lett, 9, 2018
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5NOB
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![BU of 5nob by Molmil](/molmil-images/mine/5nob) | Crystal structure of human tankyrase 2 in complex with OD336 | 分子名称: | 1-[3-[4-(2-chlorophenyl)-5-pyrimidin-4-yl-1,2,4-triazol-3-yl]cyclobutyl]-2-oxidanylidene-3~{H}-benzimidazole-5-carbonitrile, Tankyrase-2, ZINC ION | 著者 | Ignatev, A, Lehtio, L. | 登録日 | 2017-04-11 | 公開日 | 2017-11-29 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Discovery of a Novel Series of Tankyrase Inhibitors by a Hybridization Approach. J. Med. Chem., 60, 2017
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5NCZ
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![BU of 5ncz by Molmil](/molmil-images/mine/5ncz) | mPI3Kd IN COMPLEX WITH inh1 | 分子名称: | 1,2-ETHANEDIOL, 4-azanyl-6-[[(1~{S})-1-[6-[3-[(dimethylamino)methyl]phenyl]-3-methyl-5-oxidanylidene-[1,3]thiazolo[3,2-a]pyridin-7-yl]ethyl]amino]pyrimidine-5-carbonitrile, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | 著者 | Petersen, J. | 登録日 | 2017-03-06 | 公開日 | 2017-06-21 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.94 Å) | 主引用文献 | Design and Synthesis of Soluble and Cell-Permeable PI3K delta Inhibitors for Long-Acting Inhaled Administration. J. Med. Chem., 60, 2017
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6H6Q
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![BU of 6h6q by Molmil](/molmil-images/mine/6h6q) | Fragment Derived XIAP inhibitor | 分子名称: | 2-[(2~{R},5~{R})-2-[[(3~{R},5~{R})-3,5-dimethylmorpholin-4-yl]methyl]-5-methyl-piperazin-1-yl]-1-[6-[(~{S})-(4-fluorophenyl)-oxidanyl-methyl]-3,3-dimethyl-2~{H}-pyrrolo[3,2-b]pyridin-1-yl]ethanone, E3 ubiquitin-protein ligase XIAP, ZINC ION | 著者 | Williams, P.A. | 登録日 | 2018-07-30 | 公開日 | 2018-08-22 | 最終更新日 | 2024-05-15 | 実験手法 | X-RAY DIFFRACTION (2.63 Å) | 主引用文献 | A Fragment-Derived Clinical Candidate for Antagonism of X-Linked and Cellular Inhibitor of Apoptosis Proteins: 1-(6-[(4-Fluorophenyl)methyl]-5-(hydroxymethyl)-3,3-dimethyl-1 H,2 H,3 H-pyrrolo[3,2- b]pyridin-1-yl)-2-[(2 R,5 R)-5-methyl-2-([(3R)-3-methylmorpholin-4-yl]methyl)piperazin-1-yl]ethan-1-one (ASTX660). J. Med. Chem., 61, 2018
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5NAR
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5NAW
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![BU of 5naw by Molmil](/molmil-images/mine/5naw) | Complement factor D in complex with the inhibitor (1R,3S,5R)-2-Aza-bicyclo[3.1.0]hexane-2,3-dicarboxylic acid 2-[(1-carbamoyl-1H-indol-3-yl)-amide] 3-[(3-trifluoromethoxy-phenyl)-amide] | 分子名称: | (1~{R},3~{S},5~{R})-~{N}2-(1-aminocarbonylindol-3-yl)-~{N}3-[3-(trifluoromethyloxy)phenyl]-2-azabicyclo[3.1.0]hexane-2,3-dicarboxamide, Complement factor D | 著者 | Mac Sweeney, A, Ostermann, N. | 登録日 | 2017-02-28 | 公開日 | 2017-06-28 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.25 Å) | 主引用文献 | Discovery of Highly Potent and Selective Small-Molecule Reversible Factor D Inhibitors Demonstrating Alternative Complement Pathway Inhibition in Vivo. J. Med. Chem., 60, 2017
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5W5O
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5W5J
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8VKO
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![BU of 8vko by Molmil](/molmil-images/mine/8vko) | Cryo-EM structure of SARS-CoV-2 XBB.1.5 spike protein in complex with human ACE2 | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, ... | 著者 | Zhu, X, Mannar, D, Saville, J, Poloni, C, Bezeruk, A, Tidey, K, Ahmed, S, Tuttle, K, Vahdatihassani, F, Cholak, S, Cook, L, Steiner, T.S, Subramaniam, S. | 登録日 | 2024-01-09 | 公開日 | 2024-02-14 | 実験手法 | ELECTRON MICROSCOPY (2.68 Å) | 主引用文献 | SARS-CoV-2 XBB.1.5 Spike Protein: Altered Receptor Binding, Antibody Evasion, and Retention of T Cell Recognition To Be Published
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6OMO
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![BU of 6omo by Molmil](/molmil-images/mine/6omo) | Human BMP6 homodimer | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Bone morphogenetic protein 6, ... | 著者 | Juo, Z.S, Seeherman, H. | 登録日 | 2019-04-19 | 公開日 | 2019-05-08 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | A BMP/activin A chimera is superior to native BMPs and induces bone repair in nonhuman primates when delivered in a composite matrix. Sci Transl Med, 11, 2019
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2LJS
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![BU of 2ljs by Molmil](/molmil-images/mine/2ljs) | Solution structure of MCoTI-V | 分子名称: | Trypsin inhibitor 3 | 著者 | Daly, N.L, Craik, D.J. | 登録日 | 2011-09-23 | 公開日 | 2012-08-08 | 最終更新日 | 2019-12-25 | 実験手法 | SOLUTION NMR | 主引用文献 | Cyclic Peptides Arising by Evolutionary Parallelism via Asparaginyl-Endopeptidase-Mediated Biosynthesis. Plant Cell, 24, 2012
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6S1I
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![BU of 6s1i by Molmil](/molmil-images/mine/6s1i) | Crystal Structure of DYRK1A with small molecule inhibitor | 分子名称: | Dual specificity tyrosine-phosphorylation-regulated kinase 1A, SULFATE ION, TETRAETHYLENE GLYCOL, ... | 著者 | Sorrell, F.J, Henderson, S.H, Redondo, C, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Elkins, J.M. | 登録日 | 2019-06-18 | 公開日 | 2019-06-26 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.38 Å) | 主引用文献 | Mining Public Domain Data to Develop Selective DYRK1A Inhibitors. Acs Med.Chem.Lett., 11, 2020
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6OMN
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![BU of 6omn by Molmil](/molmil-images/mine/6omn) | Glycosylated BMP2 homodimer | 分子名称: | Bone morphogenetic protein 2, alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | 著者 | Juo, Z.S, Seeherman, H. | 登録日 | 2019-04-19 | 公開日 | 2019-05-08 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (2.68 Å) | 主引用文献 | A BMP/activin A chimera is superior to native BMPs and induces bone repair in nonhuman primates when delivered in a composite matrix. Sci Transl Med, 11, 2019
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5PZM
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5PZO
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![BU of 5pzo by Molmil](/molmil-images/mine/5pzo) | CRYSTAL STRUCTURE OF THE HEPATITIS C VIRUS NS5B RNA-DEPENDENT RNA POLYMERASE C316N IN COMPLEX WITH 2-(4-FLUOROPHENYL)-N-METHYL-5-[3-({2-METHYL-1-OXO-1-[(1,3,4-THIADIAZOL-2-YL)AMINO]PROPAN-2-YL}CARBAMOYL)PHENYL]-1-BENZOFURAN-3-CARBOXAMIDE | 分子名称: | (2E)-3-(4-{[(1-{[(13-cyclohexyl-6-oxo-6,7-dihydro-5H-indolo[1,2-d][1,4]benzodiazepin-10-yl)carbonyl]amino}cyclopentyl)carbonyl]amino}phenyl)prop-2-enoic acid, 2-(4-fluorophenyl)-N-methyl-5-[3-({2-methyl-1-oxo-1-[(1,3,4-thiadiazol-2-yl)amino]propan-2-yl}carbamoyl)phenyl]-1-benzofuran-3-carboxamide, GLYCEROL, ... | 著者 | Sheriff, S. | 登録日 | 2017-02-27 | 公開日 | 2017-05-10 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Discovery of a Hepatitis C Virus NS5B Replicase Palm Site Allosteric Inhibitor (BMS-929075) Advanced to Phase 1 Clinical Studies. J. Med. Chem., 60, 2017
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7N2G
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![BU of 7n2g by Molmil](/molmil-images/mine/7n2g) | MicroED structure of human CPEB3 segment(154-161) kinked polymorph phased by ARCIMBOLDO-BORGES | 分子名称: | CPEB3 | 著者 | Flores, M.D, Richards, L.S, Zee, C.T, Glynn, C, Gallagher-Jones, M, Sawaya, M.R. | 登録日 | 2021-05-29 | 公開日 | 2022-06-01 | 最終更新日 | 2024-05-22 | 実験手法 | ELECTRON CRYSTALLOGRAPHY (1.201 Å) | 主引用文献 | Fragment-Based Ab Initio Phasing of Peptidic Nanocrystals by MicroED. Acs Bio Med Chem Au, 3, 2023
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7N2J
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![BU of 7n2j by Molmil](/molmil-images/mine/7n2j) | MicroED structure of a mutant mammalian prion segment phased by ARCIMBOLDO-BORGES | 分子名称: | prion protein | 著者 | Richards, L.S, Flores, M.D, Zee, C.T, Glynn, C, Gallagher-Jones, M, Sawaya, M.R. | 登録日 | 2021-05-29 | 公開日 | 2022-06-01 | 最終更新日 | 2024-05-22 | 実験手法 | ELECTRON CRYSTALLOGRAPHY (1.5 Å) | 主引用文献 | Fragment-Based Ab Initio Phasing of Peptidic Nanocrystals by MicroED. Acs Bio Med Chem Au, 3, 2023
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7N2K
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![BU of 7n2k by Molmil](/molmil-images/mine/7n2k) | MicroED structure of sequence variant of repeat segment of the yeast prion New1p phased by ARCIMBOLDO-BORGES | 分子名称: | prion New1p | 著者 | Flores, M.D, Richards, L.S, Zee, C.T, Glynn, C, Gallagher-Jones, M, Sawaya, M.R. | 登録日 | 2021-05-29 | 公開日 | 2022-06-01 | 最終更新日 | 2024-05-22 | 実験手法 | ELECTRON CRYSTALLOGRAPHY (1.301 Å) | 主引用文献 | Fragment-Based Ab Initio Phasing of Peptidic Nanocrystals by MicroED. Acs Bio Med Chem Au, 3, 2023
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7N2L
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![BU of 7n2l by Molmil](/molmil-images/mine/7n2l) | MicroED structure of a mutant mammalian prion segment | 分子名称: | prion protein | 著者 | Flores, M.D, Richards, L.S, Zee, C.T, Glynn, C, Gallagher-Jones, M, Sawaya, M.R. | 登録日 | 2021-05-29 | 公開日 | 2022-06-01 | 最終更新日 | 2024-05-22 | 実験手法 | ELECTRON CRYSTALLOGRAPHY (0.9 Å) | 主引用文献 | Fragment-Based Ab Initio Phasing of Peptidic Nanocrystals by MicroED. Acs Bio Med Chem Au, 3, 2023
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7N2F
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![BU of 7n2f by Molmil](/molmil-images/mine/7n2f) | MicroED structure of human CPEB3 segment (154-161) straight polymorph phased by ARCIMBOLDO-BORGES | 分子名称: | CPEB3 | 著者 | Flores, M.D, Richards, L.S, Zee, C.T, Glynn, C, Gallagher-Jones, M, Sawaya, M.R. | 登録日 | 2021-05-29 | 公開日 | 2022-06-01 | 最終更新日 | 2024-05-22 | 実験手法 | ELECTRON CRYSTALLOGRAPHY (1.2 Å) | 主引用文献 | Fragment-Based Ab Initio Phasing of Peptidic Nanocrystals by MicroED. Acs Bio Med Chem Au, 3, 2023
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7N2H
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![BU of 7n2h by Molmil](/molmil-images/mine/7n2h) | X-Ray structure of a sequence variant of a repeat segment of the yeast prion New1p | 分子名称: | prion New1p | 著者 | Richards, L.S, Flores, M.D, Zee, C.T, Glynn, C, Gallagher-Jones, M, Sawaya, M.R. | 登録日 | 2021-05-29 | 公開日 | 2022-06-01 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (1.102 Å) | 主引用文献 | Fragment-Based Ab Initio Phasing of Peptidic Nanocrystals by MicroED. Acs Bio Med Chem Au, 3, 2023
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