1EID
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1EIC
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4E4L
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![BU of 4e4l by Molmil](/molmil-images/mine/4e4l) | JAK1 kinase (JH1 domain) in complex with compound 30 | 分子名称: | 1-[4-methyl-1-(methylsulfonyl)piperidin-4-yl]-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridine, Tyrosine-protein kinase JAK1 | 著者 | Eigenbrot, C. | 登録日 | 2012-03-13 | 公開日 | 2012-05-30 | 最終更新日 | 2012-07-11 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Identification of Imidazo-Pyrrolopyridines as Novel and Potent JAK1 Inhibitors. J.Med.Chem., 55, 2012
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6MNZ
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![BU of 6mnz by Molmil](/molmil-images/mine/6mnz) | Crystal structure of RibBX, a two domain 3,4-dihydroxy-2-butanone 4-phosphate synthase from A. baumannii. | 分子名称: | 3,4-dihydroxy-2-butanone 4-phosphate synthase, CHLORIDE ION, SULFATE ION | 著者 | Wang, J, Gonzalez-Gutierrez, G, Giedroc, D.P. | 登録日 | 2018-10-03 | 公開日 | 2019-04-17 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (2.66 Å) | 主引用文献 | Multi-metal Restriction by Calprotectin Impacts De Novo Flavin Biosynthesis in Acinetobacter baumannii. Cell Chem Biol, 26, 2019
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4E4M
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![BU of 4e4m by Molmil](/molmil-images/mine/4e4m) | JAK2 kinase (JH1 domain) in complex with compound 30 | 分子名称: | 1-[4-methyl-1-(methylsulfonyl)piperidin-4-yl]-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridine, Tyrosine-protein kinase JAK2 | 著者 | Eigenbrot, C. | 登録日 | 2012-03-13 | 公開日 | 2012-05-30 | 最終更新日 | 2023-12-06 | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | 主引用文献 | Identification of Imidazo-Pyrrolopyridines as Novel and Potent JAK1 Inhibitors. J.Med.Chem., 55, 2012
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4EI4
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![BU of 4ei4 by Molmil](/molmil-images/mine/4ei4) | JAK1 kinase (JH1 domain) in complex with compound 20 | 分子名称: | (1R,3R)-3-(2-methylimidazo[4,5-d]pyrrolo[2,3-b]pyridin-1(8H)-yl)cyclohexanol, Tyrosine-protein kinase JAK1 | 著者 | Eigenbrot, C, Steffek, M. | 登録日 | 2012-04-04 | 公開日 | 2012-07-04 | 最終更新日 | 2023-12-06 | 実験手法 | X-RAY DIFFRACTION (2.22 Å) | 主引用文献 | Discovery and optimization of C-2 methyl imidazopyrrolopyridines as potent and orally bioavailable JAK1 inhibitors with selectivity over JAK2. J.Med.Chem., 55, 2012
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4E4N
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![BU of 4e4n by Molmil](/molmil-images/mine/4e4n) | JAK1 kinase (JH1 domain) in complex with compound 49 | 分子名称: | Tyrosine-protein kinase JAK1, tert-butyl [(1R,3R)-3-(imidazo[4,5-d]pyrrolo[2,3-b]pyridin-1(6H)-yl)cyclopentyl]carbamate | 著者 | Eigenbrot, C. | 登録日 | 2012-03-13 | 公開日 | 2012-05-30 | 最終更新日 | 2023-12-06 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Identification of Imidazo-Pyrrolopyridines as Novel and Potent JAK1 Inhibitors. J.Med.Chem., 55, 2012
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5PGU
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5PGX
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5PGZ
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![BU of 5pgz by Molmil](/molmil-images/mine/5pgz) | CRYSTAL STRUCTURE OF MURINE 11BETA- HYDROXYSTEROIDDEHYDROGENASE COMPLEXED WITH 2-[(5R,7S)-6-HYDROXY-2-PHENYLADAMANTAN-2-YL]-1-(3-HYDROXYAZETIDIN-1-YL)ETHAN-1-ONE (BMS-816336) | 分子名称: | 2-[(5R,7S)-6-HYDROXY-2-PHENYLADAMANTAN-2-YL]-1-(3-HYDROXYAZETIDIN-1-YL)ETHAN-1-ONE, Corticosteroid 11-beta-dehydrogenase isozyme 1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | 著者 | Sheriff, S. | 登録日 | 2017-02-06 | 公開日 | 2017-11-01 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | Discovery of Clinical Candidate 2-((2S,6S)-2-Phenyl-6-hydroxyadamantan-2-yl)-1-(3'-hydroxyazetidin-1-yl)ethanone [BMS-816336], an Orally Active Novel Selective 11 beta-Hydroxysteroid Dehydrogenase Type 1 Inhibitor. J. Med. Chem., 60, 2017
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6WTQ
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![BU of 6wtq by Molmil](/molmil-images/mine/6wtq) | Human JAK2 JH1 domain in complex with PROTAC-intermediate linker handle 4 | 分子名称: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, N-methyl-4-{[4-(1-propyl-1H-pyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino}benzamide, ... | 著者 | Yu, S, Nithianantham, S, Fischer, M. | 登録日 | 2020-05-03 | 公開日 | 2021-05-05 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (1.79968476 Å) | 主引用文献 | Degradation of Janus kinases in CRLF2-rearranged acute lymphoblastic leukemia. Blood, 138, 2021
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6WTN
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![BU of 6wtn by Molmil](/molmil-images/mine/6wtn) | Human JAK2 JH1 domain in complex with Ruxolitinib | 分子名称: | (3R)-3-cyclopentyl-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]propanenitrile, 1,2-ETHANEDIOL, Tyrosine-protein kinase JAK2 | 著者 | Yu, S, Nithianantham, S, Fischer, M. | 登録日 | 2020-05-03 | 公開日 | 2021-05-05 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (1.83 Å) | 主引用文献 | Degradation of Janus kinases in CRLF2-rearranged acute lymphoblastic leukemia. Blood, 138, 2021
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6WTP
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![BU of 6wtp by Molmil](/molmil-images/mine/6wtp) | Human JAK2 JH1 domain in complex with PROTAC-intermediate linker handle 3 | 分子名称: | GLYCEROL, Tyrosine-protein kinase JAK2, tert-butyl 4-[(4-{1-[3-(cyanomethyl)-1-(ethylsulfonyl)azetidin-3-yl]-1H-pyrazol-4-yl}-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]benzoate | 著者 | Yu, S, Nithianantham, S, Fischer, M. | 登録日 | 2020-05-03 | 公開日 | 2021-05-05 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Degradation of Janus kinases in CRLF2-rearranged acute lymphoblastic leukemia. Blood, 138, 2021
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6WTO
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![BU of 6wto by Molmil](/molmil-images/mine/6wto) | Human JAK2 JH1 domain in complex with Baricitinib | 分子名称: | 1,2-ETHANEDIOL, Baricitinib, Tyrosine-protein kinase JAK2 | 著者 | Yu, S, Nithianantham, S, Fischer, M. | 登録日 | 2020-05-03 | 公開日 | 2021-05-05 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (1.74 Å) | 主引用文献 | Degradation of Janus kinases in CRLF2-rearranged acute lymphoblastic leukemia. Blood, 138, 2021
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6XYG
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![BU of 6xyg by Molmil](/molmil-images/mine/6xyg) | Femtosecond structure of bovine trypsin at room temperature | 分子名称: | BENZAMIDINE, CALCIUM ION, Cationic trypsin, ... | 著者 | Jensen, M. | 登録日 | 2020-01-30 | 公開日 | 2021-02-10 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.50000238 Å) | 主引用文献 | High-resolution macromolecular crystallography at the FemtoMAX beamline with time-over-threshold photon detection J.Synchrotron Radiat., 2021
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8DSO
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![BU of 8dso by Molmil](/molmil-images/mine/8dso) | Structure of cIAP1, BTK and BCCov | 分子名称: | (4S)-4-[2-(2-{4-[(2E)-4-{(3R)-3-[4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl}-4-oxobut-2-en-1-yl]piperazin-1-yl}ethoxy)acetamido]-1-{(2S)-2-cyclohexyl-2-[(N-methyl-L-alanyl)amino]acetyl}-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-L-prolinamide bound form, Baculoviral IAP repeat-containing protein 2, Tyrosine-protein kinase BTK, ... | 著者 | Schiemer, J.S, Calabrese, M.F. | 登録日 | 2022-07-22 | 公開日 | 2023-03-08 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (2.334 Å) | 主引用文献 | A covalent BTK ternary complex compatible with targeted protein degradation. Nat Commun, 14, 2023
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8DSF
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![BU of 8dsf by Molmil](/molmil-images/mine/8dsf) | Structure of cIAP1 with BCCov | 分子名称: | (4S)-4-[2-(2-{4-[(2E)-4-{(3R)-3-[4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl}-4-oxobut-2-en-1-yl]piperazin-1-yl}ethoxy)acetamido]-1-{(2S)-2-cyclohexyl-2-[(N-methyl-L-alanyl)amino]acetyl}-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-L-prolinamide unbound form, Baculoviral IAP repeat-containing protein 2, ZINC ION | 著者 | Schiemer, J.S, Calabrese, M.F. | 登録日 | 2022-07-22 | 公開日 | 2023-03-08 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | A covalent BTK ternary complex compatible with targeted protein degradation. Nat Commun, 14, 2023
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6TNS
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![BU of 6tns by Molmil](/molmil-images/mine/6tns) | PI3K delta in complex with 2methoxyN[2methoxy5(7{[(2R)4(oxetan3 yl)morpholin2yl]methoxy}1,3dihydro2 benzofuran5yl)pyridin3yl]ethane1 sulfonamide | 分子名称: | 2-methoxy-~{N}-[2-methoxy-5-[7-[[(2~{R})-4-(oxetan-3-yl)morpholin-2-yl]methoxy]-1,3-dihydro-2-benzofuran-5-yl]pyridin-3-yl]ethanesulfonamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | 著者 | Convery, M.A, Rowland, P, Henley, Z.A, Barton, N, Down, K. | 登録日 | 2019-12-10 | 公開日 | 2020-01-01 | 最終更新日 | 2024-06-19 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Optimization of Orally Bioavailable PI3K delta Inhibitors and Identification of Vps34 as a Key Selectivity Target. J.Med.Chem., 63, 2020
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1EJE
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![BU of 1eje by Molmil](/molmil-images/mine/1eje) | CRYSTAL STRUCTURE OF AN FMN-BINDING PROTEIN | 分子名称: | FLAVIN MONONUCLEOTIDE, FMN-BINDING PROTEIN, NICKEL (II) ION, ... | 著者 | Christendat, D, Saridakis, V, Bochkarev, A, Arrowsmith, C, Edwards, A.M, Northeast Structural Genomics Consortium (NESG) | 登録日 | 2000-03-02 | 公開日 | 2000-10-11 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Structural proteomics of an archaeon. Nat.Struct.Biol., 7, 2000
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1EIJ
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![BU of 1eij by Molmil](/molmil-images/mine/1eij) | NMR ENSEMBLE OF METHANOBACTERIUM THERMOAUTOTROPHICUM PROTEIN 1615 | 分子名称: | HYPOTHETICAL PROTEIN MTH1615 | 著者 | Christendat, D, Booth, V, Gernstein, M, Arrowsmith, C.H, Edwards, A.M, Northeast Structural Genomics Consortium (NESG) | 登録日 | 2000-02-25 | 公開日 | 2000-11-03 | 最終更新日 | 2024-05-22 | 実験手法 | SOLUTION NMR | 主引用文献 | Structural proteomics of an archaeon. Nat.Struct.Biol., 7, 2000
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6TRE
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![BU of 6tre by Molmil](/molmil-images/mine/6tre) | Structure of the RBM3/collar region of the Salmonella flagella MS-ring protein FliF with 32-fold symmetry applied | 分子名称: | Flagellar M-ring protein | 著者 | Johnson, S, Fong, Y.H, Deme, J.C, Furlong, E.J, Kuhlen, L, Lea, S.M. | 登録日 | 2019-12-18 | 公開日 | 2020-03-18 | 最終更新日 | 2024-05-22 | 実験手法 | ELECTRON MICROSCOPY (3.3 Å) | 主引用文献 | Structure of the bacterial flagellar rotor MS-ring: a minimum inventory/maximum diversity system. To Be Published
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6TNR
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![BU of 6tnr by Molmil](/molmil-images/mine/6tnr) | PI3K delta in complex with N[5(7{2[4(2hydroxypropan2yl)piperidin1 yl]ethoxy}1,3dihydro2benzofuran5yl)2 methoxypyridin3yl]methanesulfonamide | 分子名称: | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform, ~{N}-[2-methoxy-5-[7-[2-[4-(2-oxidanylpropan-2-yl)piperidin-1-yl]ethoxy]-1,3-dihydro-2-benzofuran-5-yl]pyridin-3-yl]methanesulfonamide | 著者 | Convery, M.A, Rowland, P, Henley, Z.A, Barton, N, Down, K. | 登録日 | 2019-12-10 | 公開日 | 2020-01-01 | 最終更新日 | 2024-06-19 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Optimization of Orally Bioavailable PI3K delta Inhibitors and Identification of Vps34 as a Key Selectivity Target. J.Med.Chem., 63, 2020
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1FS3
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1GH9
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![BU of 1gh9 by Molmil](/molmil-images/mine/1gh9) | |
6QPK
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