7ZOZ
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![BU of 7zoz by Molmil](/molmil-images/mine/7zoz) | Crystal structure of Siglec-15 in complex with Fab | 分子名称: | Anti-Siglec 15 Fab HC, Anti-Siglec 15 Fab LC, Sialic acid-binding Ig-like lectin 15 | 著者 | Lenza, M.P, Oyenarte, I, Jimenez-Barbero, J, Ereno-Orbea, J. | 登録日 | 2022-04-26 | 公開日 | 2023-06-28 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.104 Å) | 主引用文献 | Structural insights into Siglec-15 reveal glycosylation dependency for its interaction with T cells through integrin CD11b. Nat Commun, 14, 2023
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7ZOR
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![BU of 7zor by Molmil](/molmil-images/mine/7zor) | Crystal structure of anti-Siglec-15 Fab | 分子名称: | Anti-siglec15 FAB HC, Anti-siglec15 FAB LC | 著者 | Lenza, M.P, Oyenarte, I, Jimenez-Barbero, J, Ereno-Orbea, J. | 登録日 | 2022-04-26 | 公開日 | 2023-06-28 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (3.933 Å) | 主引用文献 | Structural insights into Siglec-15 reveal glycosylation dependency for its interaction with T cells through integrin CD11b. Nat Commun, 14, 2023
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2M1R
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![BU of 2m1r by Molmil](/molmil-images/mine/2m1r) | PHD domain of ING4 N214D mutant | 分子名称: | Inhibitor of growth protein 4, ZINC ION | 著者 | Blanco, F.J. | 登録日 | 2012-12-05 | 公開日 | 2012-12-26 | 最終更新日 | 2024-05-01 | 実験手法 | SOLUTION NMR | 主引用文献 | Functional impact of cancer-associated mutations in the tumor suppressor protein ING4. Carcinogenesis, 31, 2010
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8Q1O
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![BU of 8q1o by Molmil](/molmil-images/mine/8q1o) | S-layer protein SlpA from Lactobacillus amylovorus, domain I (aa 32-209), important for Self-assembly | 分子名称: | PHOSPHATE ION, S-layer | 著者 | Sagmeister, T, Grininger, C, Eder, M, Pavkov-Keller, T. | 登録日 | 2023-08-01 | 公開日 | 2023-09-06 | 最終更新日 | 2024-06-19 | 実験手法 | X-RAY DIFFRACTION (3.401 Å) | 主引用文献 | The molecular architecture of Lactobacillus S-layer: Assembly and attachment to teichoic acids. Proc.Natl.Acad.Sci.USA, 121, 2024
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5W2E
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![BU of 5w2e by Molmil](/molmil-images/mine/5w2e) | HCV NS5B RNA-dependent RNA polymerase in complex with non-nucleoside inhibitor MK-8876 | 分子名称: | 2-(4-fluorophenyl)-5-(11-fluoro-6H-pyrido[2',3':5,6][1,3]oxazino[3,4-a]indol-2-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide, Genome polyprotein | 著者 | Lesburg, C.A, Ummat, A. | 登録日 | 2017-06-06 | 公開日 | 2017-08-16 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Development of a New Structural Class of Broadly Acting HCV Non-Nucleoside Inhibitors Leading to the Discovery of MK-8876. ChemMedChem, 12, 2017
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7QEC
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![BU of 7qec by Molmil](/molmil-images/mine/7qec) | Crystal structure of SlpA - domain II, domain that is involved in the self-assembly of the S-layer from Lactobacillus amylovorus | 分子名称: | S-layer | 著者 | Eder, M, Dordic, A, Millan, C, Sagmeister, T, Uson, I, Pavkov-Keller, T. | 登録日 | 2021-12-02 | 公開日 | 2022-12-14 | 最終更新日 | 2024-06-19 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | The molecular architecture of Lactobacillus S-layer: Assembly and attachment to teichoic acids. Proc.Natl.Acad.Sci.USA, 121, 2024
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7QEH
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![BU of 7qeh by Molmil](/molmil-images/mine/7qeh) | LTA-binding domain of SlpA, the S-layer protein from Lactobacillus amylovorus | 分子名称: | PHOSPHATE ION, S-layer | 著者 | Eder, M, Dordic, A, Sagmeister, T, Pavkov-Keller, T. | 登録日 | 2021-12-03 | 公開日 | 2022-12-14 | 最終更新日 | 2024-06-19 | 実験手法 | X-RAY DIFFRACTION (1.67 Å) | 主引用文献 | The molecular architecture of Lactobacillus S-layer: Assembly and attachment to teichoic acids. Proc.Natl.Acad.Sci.USA, 121, 2024
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7QFL
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![BU of 7qfl by Molmil](/molmil-images/mine/7qfl) | Crystal structure of S-layer protein SlpA from Lactobacillus acidophilus, domain II (aa 199-308) | 分子名称: | ACETATE ION, PHOSPHATE ION, S-layer protein | 著者 | Sagmeister, T, Dordic, A, Eder, E, Pavkov-Keller, T. | 登録日 | 2021-12-06 | 公開日 | 2022-12-21 | 最終更新日 | 2024-06-19 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | The molecular architecture of Lactobacillus S-layer: Assembly and attachment to teichoic acids. Proc.Natl.Acad.Sci.USA, 121, 2024
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7QLD
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![BU of 7qld by Molmil](/molmil-images/mine/7qld) | Crystal structure of S-layer protein SlpA from Lactobacillus acidophilus, domain I, Co-crystallization with HgCl2, Mutation Ser146Cys, (aa 32-198) | 分子名称: | CHLORIDE ION, MERCURY (II) ION, S-layer protein | 著者 | Sagmeister, T, Vejzovic, D, Eder, M, Dordic, A, Pavkov-Keller, T. | 登録日 | 2021-12-20 | 公開日 | 2022-12-28 | 最終更新日 | 2024-06-19 | 実験手法 | X-RAY DIFFRACTION (2.153 Å) | 主引用文献 | The molecular architecture of Lactobacillus S-layer: Assembly and attachment to teichoic acids. Proc.Natl.Acad.Sci.USA, 121, 2024
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7QLE
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![BU of 7qle by Molmil](/molmil-images/mine/7qle) | Crystal structure of S-layer protein SlpA from Lactobacillus acidophilus, domain I (aa 32-198) | 分子名称: | S-layer protein | 著者 | Sagmeister, T, Eder, M, Vejzovic, D, Dordic, A, Pavkov-Keller, T. | 登録日 | 2021-12-20 | 公開日 | 2022-12-28 | 最終更新日 | 2024-06-26 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | The molecular architecture of Lactobacillus S-layer: Assembly and attachment to teichoic acids. Proc.Natl.Acad.Sci.USA, 121, 2024
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6VNS
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![BU of 6vns by Molmil](/molmil-images/mine/6vns) | Crystal structure of TYK2 kinase with compound 13 | 分子名称: | (1R,2R)-2-cyano-N-[(1S,5R)-3-(5-fluoro-2-{[1-(2-hydroxyethyl)-1H-pyrazol-4-yl]amino}pyrimidin-4-yl)-3-azabicyclo[3.1.0]hexan-1-yl]cyclopropane-1-carboxamide, Non-receptor tyrosine-protein kinase TYK2 | 著者 | Vajdos, F.F. | 登録日 | 2020-01-29 | 公開日 | 2020-04-08 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2.09 Å) | 主引用文献 | Design and optimization of a series of 4-(3-azabicyclo[3.1.0]hexan-3-yl)pyrimidin-2-amines: Dual inhibitors of TYK2 and JAK1. Bioorg.Med.Chem., 28, 2020
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6VNY
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![BU of 6vny by Molmil](/molmil-images/mine/6vny) | Crystal structure of TYK2 kinase with compound 10 | 分子名称: | N-[(1S,5R)-3-(5-fluoro-2-{[1-(2-hydroxyethyl)-1H-pyrazol-4-yl]amino}pyrimidin-4-yl)-3-azabicyclo[3.1.0]hexan-1-yl]cyclopropanecarboxamide, Non-receptor tyrosine-protein kinase TYK2 | 著者 | Vajdos, F.F. | 登録日 | 2020-01-29 | 公開日 | 2020-04-08 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Design and optimization of a series of 4-(3-azabicyclo[3.1.0]hexan-3-yl)pyrimidin-2-amines: Dual inhibitors of TYK2 and JAK1. Bioorg.Med.Chem., 28, 2020
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6VNX
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![BU of 6vnx by Molmil](/molmil-images/mine/6vnx) | Crystal structure of TYK2 kinase with compound 19 | 分子名称: | (1S)-2,2-difluoro-N-[(1S,5R,6R)-3-{5-fluoro-2-[(1-methyl-1H-pyrazol-4-yl)amino]pyrimidin-4-yl}-6-methyl-3-azabicyclo[3.1.0]hexan-1-yl]cyclopropane-1-carboxamide, Non-receptor tyrosine-protein kinase TYK2 | 著者 | Vajdos, F.F. | 登録日 | 2020-01-29 | 公開日 | 2020-04-08 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2.18 Å) | 主引用文献 | Design and optimization of a series of 4-(3-azabicyclo[3.1.0]hexan-3-yl)pyrimidin-2-amines: Dual inhibitors of TYK2 and JAK1. Bioorg.Med.Chem., 28, 2020
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6W8L
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![BU of 6w8l by Molmil](/molmil-images/mine/6w8l) | Crystal structure of JAK1 kinase with compound 10 | 分子名称: | N-[(1S,5R)-3-(5-fluoro-2-{[1-(2-hydroxyethyl)-1H-pyrazol-4-yl]amino}pyrimidin-4-yl)-3-azabicyclo[3.1.0]hexan-1-yl]cyclopropanecarboxamide, Tyrosine-protein kinase JAK1 | 著者 | Vajdos, F.F. | 登録日 | 2020-03-20 | 公開日 | 2020-04-08 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2.11 Å) | 主引用文献 | Design and optimization of a series of 4-(3-azabicyclo[3.1.0]hexan-3-yl)pyrimidin-2-amines: Dual inhibitors of TYK2 and JAK1. Bioorg.Med.Chem., 28, 2020
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6VNV
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![BU of 6vnv by Molmil](/molmil-images/mine/6vnv) | Crystal structure of TYK2 kinase with compound 14 | 分子名称: | (1S,2S)-2-cyano-N-[(1S,5R)-3-(5-fluoro-2-{[1-(2-hydroxyethyl)-1H-pyrazol-4-yl]amino}pyrimidin-4-yl)-3-azabicyclo[3.1.0]hexan-1-yl]cyclopropane-1-carboxamide, Non-receptor tyrosine-protein kinase TYK2 | 著者 | Vajdos, F.F. | 登録日 | 2020-01-29 | 公開日 | 2020-04-08 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | 主引用文献 | Design and optimization of a series of 4-(3-azabicyclo[3.1.0]hexan-3-yl)pyrimidin-2-amines: Dual inhibitors of TYK2 and JAK1. Bioorg.Med.Chem., 28, 2020
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1CL5
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4KB7
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![BU of 4kb7 by Molmil](/molmil-images/mine/4kb7) | HCV NS5B GT1B N316Y with CMPD 32 | 分子名称: | 5-cyclopropyl-2-(4-fluorophenyl)-6-[{2-[(3R)-1-hydroxy-1,3-dihydro-2,1-benzoxaborol-3-yl]ethyl}(methylsulfonyl)amino]-N-methyl-1-benzofuran-3-carboxamide, HCV Polymerase | 著者 | Williams, S.P, Kahler, K.M, Shotwell, J.B. | 登録日 | 2013-04-23 | 公開日 | 2013-05-08 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Discovery of a Potent Boronic Acid Derived Inhibitor of the HCV RNA-Dependent RNA Polymerase. J.Med.Chem., 57, 2014
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6XKR
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![BU of 6xkr by Molmil](/molmil-images/mine/6xkr) | Structure of Sasanlimab Fab in complex with PD-1 | 分子名称: | GLYCEROL, Programmed cell death protein 1, Sasanlimab Fab Heavy chain, ... | 著者 | Kimberlin, C.R, Chin, S.M. | 登録日 | 2020-06-27 | 公開日 | 2020-09-09 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.59 Å) | 主引用文献 | Pharmacologic Properties and Preclinical Activity of Sasanlimab, A High-affinity Engineered Anti-Human PD-1 Antibody. Mol.Cancer Ther., 19, 2020
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4KHM
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![BU of 4khm by Molmil](/molmil-images/mine/4khm) | HCV NS5B GT1A with GSK5852 | 分子名称: | HCV Polymerase, SULFATE ION, [4-({[5-cyclopropyl-2-(4-fluorophenyl)-3-(methylcarbamoyl)-1-benzofuran-6-yl](methylsulfonyl)amino}methyl)-2-fluorophenyl]boronic acid | 著者 | Williams, S.P, Kahler, K.M, Shotwell, J.B. | 登録日 | 2013-04-30 | 公開日 | 2013-05-15 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Discovery of a Potent Boronic Acid Derived Inhibitor of the HCV RNA-Dependent RNA Polymerase. J.Med.Chem., 57, 2014
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4KAI
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![BU of 4kai by Molmil](/molmil-images/mine/4kai) | HCV NS5B GT1B N316 with GSK5852A | 分子名称: | HCV Polymerase, [4-({[5-cyclopropyl-2-(4-fluorophenyl)-3-(methylcarbamoyl)-1-benzofuran-6-yl](methylsulfonyl)amino}methyl)-2-fluorophenyl]boronic acid | 著者 | Williams, S.P, Kahler, K.M, Shotwell, J.B. | 登録日 | 2013-04-22 | 公開日 | 2013-05-08 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Discovery of a Potent Boronic Acid Derived Inhibitor of the HCV RNA-Dependent RNA Polymerase. J.Med.Chem., 57, 2014
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4KE5
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![BU of 4ke5 by Molmil](/molmil-images/mine/4ke5) | HCV NS5B GT1B N316Y with GSK5852 | 分子名称: | HCV Polymerase, [4-({[5-cyclopropyl-2-(4-fluorophenyl)-3-(methylcarbamoyl)-1-benzofuran-6-yl](methylsulfonyl)amino}methyl)-2-fluorophenyl]boronic acid | 著者 | Williams, S.P, Kahler, K.M, Shotwell, J.B. | 登録日 | 2013-04-25 | 公開日 | 2013-05-15 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (2.11 Å) | 主引用文献 | Discovery of a Potent Boronic Acid Derived Inhibitor of the HCV RNA-Dependent RNA Polymerase. J.Med.Chem., 57, 2014
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4KBI
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![BU of 4kbi by Molmil](/molmil-images/mine/4kbi) | HCV NS5B GT1B N316Y with CMPD 4 | 分子名称: | 5-cyclopropyl-6-{[(7-fluoro-1-hydroxy-1,3-dihydro-2,1-benzoxaborol-5-yl)methyl](methylsulfonyl)amino}-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide, HCV Polymerase | 著者 | Williams, S.P, Kahler, K.M, Shotwell, J.B. | 登録日 | 2013-04-23 | 公開日 | 2013-05-08 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (2.06 Å) | 主引用文献 | Discovery of a Potent Boronic Acid Derived Inhibitor of the HCV RNA-Dependent RNA Polymerase. J.Med.Chem., 57, 2014
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4KHR
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![BU of 4khr by Molmil](/molmil-images/mine/4khr) | HCV NS5B GT1A C316Y with GSK5852 | 分子名称: | NS5B RNA-dependent RNA polymerase, SULFATE ION, [4-({[5-cyclopropyl-2-(4-fluorophenyl)-3-(methylcarbamoyl)-1-benzofuran-6-yl](methylsulfonyl)amino}methyl)-2-fluorophenyl]boronic acid | 著者 | Williams, S.P, Kahler, K.M, Shotwell, J.B. | 登録日 | 2013-05-01 | 公開日 | 2013-05-29 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | 主引用文献 | Discovery of a Potent Boronic Acid Derived Inhibitor of the HCV RNA-Dependent RNA Polymerase. J.Med.Chem., 57, 2014
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6DBK
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![BU of 6dbk by Molmil](/molmil-images/mine/6dbk) | Tyk2 with compound 8 | 分子名称: | 4-({4-[(1S,4S)-5-(cyanoacetyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrimidin-2-yl}amino)-N-ethylbenzamide, Non-receptor tyrosine-protein kinase TYK2 | 著者 | Vajdos, F.F. | 登録日 | 2018-05-03 | 公開日 | 2018-08-29 | 最終更新日 | 2018-11-07 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Dual Inhibition of TYK2 and JAK1 for the Treatment of Autoimmune Diseases: Discovery of (( S)-2,2-Difluorocyclopropyl)((1 R,5 S)-3-(2-((1-methyl-1 H-pyrazol-4-yl)amino)pyrimidin-4-yl)-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone (PF-06700841). J. Med. Chem., 61, 2018
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7QFI
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![BU of 7qfi by Molmil](/molmil-images/mine/7qfi) | Crystal structure of S-layer protein SlpX from Lactobacillus acidophilus, domain I (aa 31-182) | 分子名称: | CALCIUM ION, SlpX | 著者 | Sagmeister, T, Damisch, E, Millan, C, Uson, I, Eder, M, Pavkov-Keller, T. | 登録日 | 2021-12-06 | 公開日 | 2022-12-21 | 最終更新日 | 2024-06-19 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | The molecular architecture of Lactobacillus S-layer: Assembly and attachment to teichoic acids. Proc.Natl.Acad.Sci.USA, 121, 2024
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