4K5Z
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![BU of 4k5z by Molmil](/molmil-images/mine/4k5z) | Crystal Structure of Human Chymase in Complex with Fragment Inhibitor 6-chloro-2,3-dihydro-1H-isoindol-1-one | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 6-chloro-2,3-dihydro-1H-isoindol-1-one, Chymase, ... | 著者 | Collins, B.K, Padyana, A.K. | 登録日 | 2013-04-15 | 公開日 | 2013-05-29 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Discovery of Potent, Selective Chymase Inhibitors via Fragment Linking Strategies. J.Med.Chem., 56, 2013
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3UPX
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3EQB
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![BU of 3eqb by Molmil](/molmil-images/mine/3eqb) | X-ray structure of the human mitogen-activated protein kinase kinase 1 (MEK1) in a complex with ligand and MgATP | 分子名称: | ADENOSINE-5'-TRIPHOSPHATE, Dual specificity mitogen-activated protein kinase kinase 1, MAGNESIUM ION, ... | 著者 | Ohren, J.F, Pavlovsky, A, Zhang, E. | 登録日 | 2008-09-30 | 公開日 | 2008-11-11 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (2.62 Å) | 主引用文献 | 2-Alkylamino- and alkoxy-substituted 2-amino-1,3,4-oxadiazoles-O-Alkyl benzohydroxamate esters replacements retain the desired inhibition and selectivity against MEK (MAP ERK kinase). Bioorg.Med.Chem.Lett., 18, 2008
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3V51
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3V5P
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1FV9
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![BU of 1fv9 by Molmil](/molmil-images/mine/1fv9) | |
2FIE
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![BU of 2fie by Molmil](/molmil-images/mine/2fie) | |
2FIX
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5EOB
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![BU of 5eob by Molmil](/molmil-images/mine/5eob) | Crystal structure of CMET in complex with novel inhibitor | 分子名称: | 6-[bis(fluoranyl)-[6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl]methyl]quinoline, Hepatocyte growth factor receptor | 著者 | Liu, Q, Chen, T, Xu, Y. | 登録日 | 2015-11-10 | 公開日 | 2016-10-19 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | Discovery of 6-(difluoro(6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl)quinoline as a highly potent and selective c-Met inhibitor Eur.J.Med.Chem., 116, 2016
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6OPJ
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![BU of 6opj by Molmil](/molmil-images/mine/6opj) | Menin in complex with peptide inhibitor 25 | 分子名称: | DIMETHYL SULFOXIDE, Menin, Peptide inhibitor 25, ... | 著者 | Linhares, B.M, Fortuna, P, Cierpicki, T, Grembecka, J, Berlicki, L. | 登録日 | 2019-04-25 | 公開日 | 2020-09-02 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (1.5006572 Å) | 主引用文献 | Covalent and noncovalent constraints yield a figure eight-like conformation of a peptide inhibiting the menin-MLL interaction. Eur.J.Med.Chem., 207, 2020
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1RFI
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![BU of 1rfi by Molmil](/molmil-images/mine/1rfi) | Crystal structure of human Tyrosyl-DNA Phosphodiesterase complexed with vanadate, pentapeptide KLNYK, and tetranucleotide AGTC | 分子名称: | 5'-D(*AP*GP*TP*C)-3', SPERMINE, Topoisomerase I-Derived Peptide, ... | 著者 | Davies, D.R, Interthal, H, Champoux, J.J, Hol, W.G. | 登録日 | 2003-11-10 | 公開日 | 2004-03-02 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Explorations of peptide and oligonucleotide binding sites of tyrosyl-DNA phosphodiesterase using vanadate complexes. J.Med.Chem., 47, 2004
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1RFF
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![BU of 1rff by Molmil](/molmil-images/mine/1rff) | Crystal structure of human Tyrosyl-DNA Phosphodiesterase complexed with vanadate, octapeptide KLNYYDPR, and tetranucleotide AGTT. | 分子名称: | 5'-D(*AP*GP*TP*T)-3', SPERMINE, Topoisomerase I-Derived Peptide, ... | 著者 | Davies, D.R, Interthal, H, Champoux, J.J, Hol, W.G. | 登録日 | 2003-11-08 | 公開日 | 2004-03-02 | 最終更新日 | 2023-08-23 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Explorations of peptide and oligonucleotide binding sites of tyrosyl-DNA phosphodiesterase using vanadate complexes. J.Med.Chem., 47, 2004
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1RG2
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![BU of 1rg2 by Molmil](/molmil-images/mine/1rg2) | Crystal structure of human Tyrosyl-DNA Phosphodiesterase complexed with vanadate, octopamine, and tetranucleotide AGTA | 分子名称: | 4-(2R-AMINO-1-HYDROXYETHYL)PHENOL, 4-(2S-AMINO-1-HYDROXYETHYL)PHENOL, 5'-D(*AP*GP*TP*A)-3', ... | 著者 | Davies, D.R, Interthal, H, Champoux, J.J, Hol, W.G. | 登録日 | 2003-11-11 | 公開日 | 2004-03-02 | 最終更新日 | 2023-08-23 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Explorations of peptide and oligonucleotide binding sites of tyrosyl-DNA phosphodiesterase using vanadate complexes. J.Med.Chem., 47, 2004
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1RGU
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![BU of 1rgu by Molmil](/molmil-images/mine/1rgu) | The crystal structure of human Tyrosyl-DNA Phosphodiesterase complexed with vanadate, octopamine, and tetranucleotide AGTG | 分子名称: | 4-(2S-AMINO-1-HYDROXYETHYL)PHENOL, 5'-D(*AP*GP*TP*G)-3', SPERMINE, ... | 著者 | Davies, D.R, Interthal, H, Champoux, J.J, Hol, W.G. | 登録日 | 2003-11-13 | 公開日 | 2004-03-02 | 最終更新日 | 2023-08-23 | 実験手法 | X-RAY DIFFRACTION (2.22 Å) | 主引用文献 | Explorations of peptide and oligonucleotide binding sites of tyrosyl-DNA phosphodiesterase using vanadate complexes. J.Med.Chem., 47, 2004
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1RG1
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![BU of 1rg1 by Molmil](/molmil-images/mine/1rg1) | Crystal structure of human Tyrosyl-DNA Phosphodiesterase complexed with vanadate, octopamine, and tetranucleotide AGTT | 分子名称: | 4-(2S-AMINO-1-HYDROXYETHYL)PHENOL, 5'-D(*AP*GP*TP*T)-3', SPERMINE, ... | 著者 | Davies, D.R, Interthal, H, Champoux, J.J, Hol, W.G. | 登録日 | 2003-11-10 | 公開日 | 2004-03-02 | 最終更新日 | 2023-08-23 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Explorations of peptide and oligonucleotide binding sites of tyrosyl-DNA phosphodiesterase using vanadate complexes. J.Med.Chem., 47, 2004
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1RGT
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![BU of 1rgt by Molmil](/molmil-images/mine/1rgt) | Crystal structure of human Tyrosyl-DNA Phosphodiesterase complexed with vanadate, octopamine, and tetranucleotide AGTC | 分子名称: | 4-(2R-AMINO-1-HYDROXYETHYL)PHENOL, 4-(2S-AMINO-1-HYDROXYETHYL)PHENOL, 5'-D(*AP*GP*TP*C)-3', ... | 著者 | Davies, D.R, Interthal, H, Champoux, J.J, Hol, W.G. | 登録日 | 2003-11-12 | 公開日 | 2004-03-02 | 最終更新日 | 2023-08-23 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Explorations of peptide and oligonucleotide binding sites of tyrosyl-DNA phosphodiesterase using vanadate complexes. J.Med.Chem., 47, 2004
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4LKO
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![BU of 4lko by Molmil](/molmil-images/mine/4lko) | Crystal structure of human DPP-IV in complex with BMS-744891 | 分子名称: | 3-(aminomethyl)-4-(2,4-dichlorophenyl)-6-(2-methoxyethyl)-2-methyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-5-one, Dipeptidyl peptidase 4 | 著者 | Klei, H.E. | 登録日 | 2013-07-08 | 公開日 | 2013-09-04 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.43 Å) | 主引用文献 | Optimization of Activity, Selectivity, and Liability Profiles in 5-Oxopyrrolopyridine DPP4 Inhibitors Leading to Clinical Candidate (Sa)-2-(3-(Aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-5-oxo-5H-pyrrolo[3,4-b]pyridin-6(7H)-yl)-N,N-dimethylacetamide (BMS-767778). J.Med.Chem., 56, 2013
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1RH0
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![BU of 1rh0 by Molmil](/molmil-images/mine/1rh0) | Crystal structure of human Tyrosyl-DNA Phosphodiesterase complexed with vanadate, octopamine and trinucleotide GTT | 分子名称: | 4-(2S-AMINO-1-HYDROXYETHYL)PHENOL, 5'-D(*GP*TP*T)-3', SPERMINE, ... | 著者 | Davies, D.R, Interthal, H, Champoux, J.J, Hol, W.G. | 登録日 | 2003-11-13 | 公開日 | 2004-03-02 | 最終更新日 | 2023-08-23 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Explorations of peptide and oligonucleotide binding sites of tyrosyl-DNA phosphodiesterase using vanadate complexes. J.Med.Chem., 47, 2004
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7KDO
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![BU of 7kdo by Molmil](/molmil-images/mine/7kdo) | Crystal structure of Escherichia coli HPPK in complex with bisubstrate inhibitor HP-73 | 分子名称: | 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase, 5'-S-[(2R,4R)-1-{2-[(2-amino-7,7-dimethyl-4-oxo-3,4,7,8-tetrahydropteridine-6-carbonyl)amino]ethyl}-2-carboxypiperidin-4-yl]-5'-thioadenosine | 著者 | Shaw, G.X, Shi, G, Ji, X. | 登録日 | 2020-10-09 | 公開日 | 2020-12-02 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Bisubstrate inhibitors of 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase: Transition state analogs for high affinity binding. Bioorg.Med.Chem., 29, 2021
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7KDR
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![BU of 7kdr by Molmil](/molmil-images/mine/7kdr) | Crystal structure of Escherichia coli HPPK in complex with bisubstrate inhibitor HP-75 | 分子名称: | 1,2-ETHANEDIOL, 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase, 5'-{[(2R,4R)-1-{2-[(2-amino-7,7-dimethyl-4-oxo-3,4,7,8-tetrahydropteridine-6-carbonyl)amino]ethyl}-2-carboxypiperidin-4-yl]sulfonyl}-5'-deoxyadenosine, ... | 著者 | Shaw, G.X, Shi, G, Ji, X. | 登録日 | 2020-10-09 | 公開日 | 2020-12-02 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.488 Å) | 主引用文献 | Bisubstrate inhibitors of 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase: Transition state analogs for high affinity binding. Bioorg.Med.Chem., 29, 2021
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1QPL
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5FWQ
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![BU of 5fwq by Molmil](/molmil-images/mine/5fwq) | Apo structure of human Leukotriene A4 hydrolase | 分子名称: | ACETATE ION, HUMAN LEUKOTRIENE A4 HYDROLASE, IMIDAZOLE, ... | 著者 | Wittmann, S.K, Kalinowsky, L, Kramer, J, Bloecher, R, Steinhilber, D, Pogoryelov, D, Proschak, E, Heering, J. | 登録日 | 2016-02-19 | 公開日 | 2016-10-05 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.047 Å) | 主引用文献 | Thermodynamic properties of leukotriene A4hydrolase inhibitors. Bioorg.Med.Chem., 24, 2016
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2ZA5
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![BU of 2za5 by Molmil](/molmil-images/mine/2za5) | Crystal Structure of human tryptase with potent non-peptide inhibitor | 分子名称: | (5-(aminomethyl)-2H-spiro[benzofuran-3,4'-piperidine]-1'-yl)(5-(phenylethynyl)furan-2-yl)methanone, Tryptase beta 2 | 著者 | Spurlino, J.C, Barnakov, S.A, Lewandowski, F, Milligan, C. | 登録日 | 2007-10-02 | 公開日 | 2008-02-26 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Potent, nonpeptide inhibitors of human mast cell tryptase. Synthesis and biological evaluation of novel spirocyclic piperidine amide derivatives Bioorg.Med.Chem.Lett., 18, 2008
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3ZXR
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3ZXV
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