3T9T
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![BU of 3t9t by Molmil](/molmil-images/mine/3t9t) | Crystal structure of BTK mutant (F435T,K596R) complexed with Imidazo[1,5-a]quinoxaline | 分子名称: | (2Z)-4-(dimethylamino)-N-{7-fluoro-4-[(2-methylphenyl)amino]imidazo[1,5-a]quinoxalin-8-yl}-N-methylbut-2-enamide, GLYCEROL, Tyrosine-protein kinase ITK/TSK | 著者 | Han, S, Caspers, N. | 登録日 | 2011-08-03 | 公開日 | 2011-10-12 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | Imidazo[1,5-a]quinoxalines as irreversible BTK inhibitors for the treatment of rheumatoid arthritis. Bioorg.Med.Chem.Lett., 21, 2011
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4HCV
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![BU of 4hcv by Molmil](/molmil-images/mine/4hcv) | Crystal structure of ITK in complex with compound 53 | 分子名称: | 3-{4-amino-1-[(3S)-1-propanoylpiperidin-3-yl]-1H-pyrazolo[3,4-d]pyrimidin-3-yl}-N-[4-(propan-2-yl)phenyl]benzamide, Tyrosine-protein kinase ITK/TSK | 著者 | Han, S, Caspers, N. | 登録日 | 2012-10-01 | 公開日 | 2012-11-14 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.48 Å) | 主引用文献 | Covalent inhibitors of interleukin-2 inducible T cell kinase (itk) with nanomolar potency in a whole-blood assay. J.Med.Chem., 55, 2012
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3TUB
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3TGE
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![BU of 3tge by Molmil](/molmil-images/mine/3tge) | A novel series of potent and selective PDE5 inhibitor1 | 分子名称: | 7-(6-methoxypyridin-3-yl)-3-{[2-(morpholin-4-yl)ethyl]amino}-1-(2-propoxyethyl)pyrido[3,4-b]pyrazin-2(1H)-one, MAGNESIUM ION, ZINC ION, ... | 著者 | Han, S. | 登録日 | 2011-08-17 | 公開日 | 2011-11-09 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.96 Å) | 主引用文献 | Investigation of the pyrazinones as PDE5 inhibitors: Evaluation of regioisomeric projections into the solvent region. Bioorg.Med.Chem.Lett., 21, 2011
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3TGG
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![BU of 3tgg by Molmil](/molmil-images/mine/3tgg) | A novel series of potent and selective PDE5 inhibitor2 | 分子名称: | 7-(6-methoxypyridin-3-yl)-4-{[2-(propan-2-yloxy)ethyl]amino}-1-(2-propoxyethyl)pyrido[4,3-d]pyrimidin-2(1H)-one, MAGNESIUM ION, ZINC ION, ... | 著者 | Han, S. | 登録日 | 2011-08-17 | 公開日 | 2012-01-25 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.91 Å) | 主引用文献 | Investigation of the pyrazinones as PDE5 inhibitors: evaluation of regioisomeric projections into the solvent region. Bioorg.Med.Chem.Lett., 21, 2011
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4U1F
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1QS2
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![BU of 1qs2 by Molmil](/molmil-images/mine/1qs2) | CRYSTAL STRUCTURE OF VIP2 WITH NAD | 分子名称: | ADP-RIBOSYLTRANSFERASE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | 著者 | Han, S, Craig, J.A, Putnam, C.D, Carozzi, N.B, Tainer, J.A. | 登録日 | 1999-06-25 | 公開日 | 1999-12-29 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Evolution and mechanism from structures of an ADP-ribosylating toxin and NAD complex. Nat.Struct.Biol., 6, 1999
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4HEE
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![BU of 4hee by Molmil](/molmil-images/mine/4hee) | Crystal structure of PPARgamma in complex with compound 13 | 分子名称: | 5-benzyl-2-ethyl-3-{(1S)-5-[2-(1H-tetrazol-5-yl)phenyl]-2,3-dihydro-1H-inden-1-yl}-3,5-dihydro-4H-imidazo[4,5-c]pyridin-4-one, Nuclear receptor coactivator 1, Peroxisome proliferator-activated receptor gamma | 著者 | Han, S. | 登録日 | 2012-10-03 | 公開日 | 2013-08-21 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Design, synthesis, and evaluation of imidazo[4,5-c]pyridin-4-one derivatives with dual activity at angiotensin II type 1 receptor and peroxisome proliferator-activated receptor-gamma Bioorg.Med.Chem.Lett., 23, 2013
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1QS1
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![BU of 1qs1 by Molmil](/molmil-images/mine/1qs1) | CRYSTAL STRUCTURE OF VEGETATIVE INSECTICIDAL PROTEIN2 (VIP2) | 分子名称: | ADP-RIBOSYLTRANSFERASE | 著者 | Han, S, Craig, J.A, Putnam, C.D, Carozzi, N.B, Tainer, J.A. | 登録日 | 1999-06-25 | 公開日 | 1999-12-29 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Evolution and mechanism from structures of an ADP-ribosylating toxin and NAD complex. Nat.Struct.Biol., 6, 1999
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3ET7
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![BU of 3et7 by Molmil](/molmil-images/mine/3et7) | Crystal structure of PYK2 complexed with PF-2318841 | 分子名称: | 5-{[4-{[2-(pyrrolidin-1-ylsulfonyl)benzyl]amino}-5-(trifluoromethyl)pyrimidin-2-yl]amino}-1,3-dihydro-2H-indol-2-one, PHOSPHATE ION, Protein tyrosine kinase 2 beta | 著者 | Han, S. | 登録日 | 2008-10-07 | 公開日 | 2009-06-23 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Trifluoromethylpyrimidine-based inhibitors of proline-rich tyrosine kinase 2 (PYK2): structure-activity relationships and strategies for the elimination of reactive metabolite formation. Bioorg.Med.Chem.Lett., 18, 2008
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3FZO
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![BU of 3fzo by Molmil](/molmil-images/mine/3fzo) | Crystal Structure of PYK2-Apo, Proline-rich Tyrosine Kinase | 分子名称: | Protein tyrosine kinase 2 beta | 著者 | Han, S. | 登録日 | 2009-01-26 | 公開日 | 2009-03-31 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Structural characterization of proline-rich tyrosine kinase 2 (PYK2) reveals a unique (DFG-out) conformation and enables inhibitor design. J.Biol.Chem., 284, 2009
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3FZR
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![BU of 3fzr by Molmil](/molmil-images/mine/3fzr) | Crystal structure of PYK2 complexed with PF-431396 | 分子名称: | N-methyl-N-{2-[({2-[(2-oxo-2,3-dihydro-1H-indol-5-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl}amino)methyl]phenyl}methanesulfonamide, PHOSPHATE ION, Protein tyrosine kinase 2 beta | 著者 | Han, S. | 登録日 | 2009-01-26 | 公開日 | 2009-03-31 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Structural characterization of proline-rich tyrosine kinase 2 (PYK2) reveals a unique (DFG-out) conformation and enables inhibitor design. J.Biol.Chem., 284, 2009
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3FZP
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![BU of 3fzp by Molmil](/molmil-images/mine/3fzp) | Crystal structure of PYK2 complexed with ATPgS | 分子名称: | PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, Protein tyrosine kinase 2 beta, SULFATE ION | 著者 | Han, S. | 登録日 | 2009-01-26 | 公開日 | 2009-03-31 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Structural characterization of proline-rich tyrosine kinase 2 (PYK2) reveals a unique (DFG-out) conformation and enables inhibitor design. J.Biol.Chem., 284, 2009
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3FZT
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![BU of 3fzt by Molmil](/molmil-images/mine/3fzt) | Crystal structure of PYK2 complexed with PF-4618433 | 分子名称: | 1-[5-tert-butyl-2-(4-methylphenyl)-1,2-dihydro-3H-pyrazol-3-ylidene]-3-{3-[(pyridin-3-yloxy)methyl]-1H-pyrazol-5-yl}urea, Protein tyrosine kinase 2 beta | 著者 | Han, S. | 登録日 | 2009-01-26 | 公開日 | 2009-03-31 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Structural characterization of proline-rich tyrosine kinase 2 (PYK2) reveals a unique (DFG-out) conformation and enables inhibitor design. J.Biol.Chem., 284, 2009
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3FZS
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![BU of 3fzs by Molmil](/molmil-images/mine/3fzs) | Crystal Structure of PYK2 complexed with BIRB796 | 分子名称: | 1-(5-TERT-BUTYL-2-P-TOLYL-2H-PYRAZOL-3-YL)-3-[4-(2-MORPHOLIN-4-YL-ETHOXY)-NAPHTHALEN-1-YL]-UREA, Protein tyrosine kinase 2 beta | 著者 | Han, S. | 登録日 | 2009-01-26 | 公開日 | 2009-03-31 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | Structural characterization of proline-rich tyrosine kinase 2 (PYK2) reveals a unique (DFG-out) conformation and enables inhibitor design. J.Biol.Chem., 284, 2009
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3H3C
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6DGC
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![BU of 6dgc by Molmil](/molmil-images/mine/6dgc) | Crystal structure of the C-terminal catalytic domain of ISC1926 TnpA, an IS607-like serine recombinase | 分子名称: | ISC1926 TnpA C-terminal catalytic domain | 著者 | Hancock, S.P, Kumar, P, Cascio, D, Johnson, R.C. | 登録日 | 2018-05-17 | 公開日 | 2018-07-18 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.92 Å) | 主引用文献 | Multiple serine transposase dimers assemble the transposon-end synaptic complex during IS607-family transposition. Elife, 7, 2018
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1G24
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3UE1
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![BU of 3ue1 by Molmil](/molmil-images/mine/3ue1) | Crystal strucuture of Acinetobacter baumanni PBP1A in complex with MC-1 | 分子名称: | (4S,7Z)-7-(2-amino-1,3-thiazol-4-yl)-1-[({4-[(2R)-2,3-dihydroxypropyl]-3-(4,5-dihydroxypyridin-2-yl)-5-oxo-4,5-dihydro- 1H-1,2,4-triazol-1-yl}sulfonyl)amino]-4-formyl-10,10-dimethyl-1,6-dioxo-9-oxa-2,5,8-triazaundec-7-en-11-oate, Penicillin-binding protein 1a | 著者 | Han, S. | 登録日 | 2011-10-28 | 公開日 | 2011-12-14 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (2.73 Å) | 主引用文献 | Distinctive attributes of beta-lactam target proteins in Acinetobacter baumannii relevant to development of new antibiotics J.Am.Chem.Soc., 133, 2011
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3UE3
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![BU of 3ue3 by Molmil](/molmil-images/mine/3ue3) | Crystal structure of Acinetobacter baumanni PBP3 | 分子名称: | Septum formation, penicillin binding protein 3, peptidoglycan synthetase | 著者 | Han, S. | 登録日 | 2011-10-28 | 公開日 | 2011-12-14 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Distinctive attributes of beta-lactam target proteins in Acinetobacter baumannii relevant to development of new antibiotics J.Am.Chem.Soc., 133, 2011
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1HAN
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4M14
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4M15
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4M12
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4M0Z
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