2LCJ
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2WKM
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![BU of 2wkm by Molmil](/molmil-images/mine/2wkm) | X-ray Structure of PHA-00665752 bound to the kinase domain of c-Met | Descriptor: | (3Z)-5-[(2,6-DICHLOROBENZYL)SULFONYL]-3-[(3,5-DIMETHYL-4-{[(2S)-2-(PYRROLIDIN-1-YLMETHYL)PYRROLIDIN-1-YL]CARBONYL}-1H-PYRROL-2-YL)METHYLIDENE]-1,3-DIHYDRO-2H-INDOL-2-ONE, HEPATOCYTE GROWTH FACTOR RECEPTOR | Authors: | McTigue, M, Grodsky, N, Ryan, K, Cui, J.J. | Deposit date: | 2009-06-15 | Release date: | 2010-08-25 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structure Based Drug Design of Crizotinib (Pf-02341066), a Potent and Selective Dual Inhibitor of Mesenchymal-Epithelial Transition Factor (C-met) Kinase and Anaplastic Lymphoma Kinase (Alk). J.Med.Chem, 54, 2011
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2XP2
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![BU of 2xp2 by Molmil](/molmil-images/mine/2xp2) | Structure of the Human Anaplastic Lymphoma Kinase in Complex with Crizotinib (PF-02341066) | Descriptor: | 3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-yl-1H-pyrazol-4-yl)pyridin-2-amine, TYROSINE-PROTEIN KINASE RECEPTOR | Authors: | McTigue, M, Deng, Y, Liu, W, Brooun, A, Timofeevski, S, Marrone, T, Cui, J.J. | Deposit date: | 2010-08-24 | Release date: | 2010-09-15 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure Based Drug Design of Crizotinib (Pf-02341066), a Potent and Selective Dual Inhibitor of Mesenchymal-Epithelial Transition Factor (C-met) Kinase and Anaplastic Lymphoma Kinase (Alk). J.Med.Chem, 54, 2011
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2WGJ
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![BU of 2wgj by Molmil](/molmil-images/mine/2wgj) | X-ray Structure of PF-02341066 bound to the kinase domain of c-Met | Descriptor: | 3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-yl-1H-pyrazol-4-yl)pyridin-2-amine, HEPATOCYTE GROWTH FACTOR RECEPTOR | Authors: | McTigue, M, Grodsky, N, Ryan, K, Tran-Dube, M, Cui, J.J, Mroczkowski, B. | Deposit date: | 2009-04-20 | Release date: | 2009-06-02 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure Based Drug Design of Crizotinib (Pf-02341066), a Potent and Selective Dual Inhibitor of Mesenchymal-Epithelial Transition Factor (C-met) Kinase and Anaplastic Lymphoma Kinase (Alk). J.Med.Chem, 54, 2011
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3ZXZ
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![BU of 3zxz by Molmil](/molmil-images/mine/3zxz) | X-ray Structure of PF-04217903 bound to the kinase domain of c-Met | Descriptor: | 2-{4-[1-(QUINOLIN-6-YLMETHYL)-1H-[1,2,3]TRIAZOLO[4,5-B]PYRAZIN-6-YL]-1H-PYRAZOL-1-YL}ETHANOL, HEPATOCYTE GROWTH FACTOR RECEPTOR | Authors: | McTigue, M, Grodsky, N, Ryan, K, Cui, J.J. | Deposit date: | 2011-08-16 | Release date: | 2011-08-31 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Discovery of a Novel Class of Exquisitely Selective Mesenchymal-Epithelial Transition Factor (C-met) Protein Kinase Inhibitors and Identification of the Clinical Candidate 2-(4-(1-(Quinolin-6-Ylmethyl)-1H-[1,2, 3]Triazolo[4,5-B]Pyrazin-6-Yl)-1H-Pyrazol-1-Yl)Ethanol (Pf-04217903) for the Treatment of Cancer. J.Med.Chem., 55, 2012
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4AOI
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![BU of 4aoi by Molmil](/molmil-images/mine/4aoi) | Crystal structure of C-MET kinase domain in complex with 4-(3-((1H- pyrrolo(2,3-b)pyridin-3-yl)methyl)-(1,2,4)triazolo(4,3-b)(1,2,4) triazin-6-yl)benzonitrile | Descriptor: | 4-[3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazin-6-yl]benzenecarbonitrile, HEPATOCYTE GROWTH FACTOR RECEPTOR | Authors: | McTigue, M, Grodsky, N, Ryan, K, Cui, J.J. | Deposit date: | 2012-03-27 | Release date: | 2012-09-26 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Discovery of a Novel Class of Exquisitely Selective Mesenchymal-Epithelial Transition Factor (C-met) Protein Kinase Inhibitors and Identification of the Clinical Candidate 2-(4-(1-(Quinolin-6-Ylmethyl)-1H-[1,2, 3]Triazolo[4,5-B]Pyrazin-6-Yl)-1H-Pyrazol-1-Yl)Ethanol (Pf-04217903) for the Treatment of Cancer. J.Med.Chem., 55, 2012
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4AP7
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![BU of 4ap7 by Molmil](/molmil-images/mine/4ap7) | Crystal structure of C-MET kinase domain in complex with 4-((6-(4- fluorophenyl)-(1,2,4)triazolo(4,3-b)(1,2,4)triazin-3-yl)methyl)phenol | Descriptor: | 4-[[6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl]methyl]phenol, HEPATOCYTE GROWTH FACTOR RECEPTOR | Authors: | McTigue, M, Wickersham, J. | Deposit date: | 2012-03-30 | Release date: | 2012-09-26 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Discovery of a Novel Class of Exquisitely Selective Mesenchymal-Epithelial Transition Factor (C-met) Protein Kinase Inhibitors and Identification of the Clinical Candidate 2-(4-(1-(Quinolin-6-Ylmethyl)-1H-[1,2, 3]Triazolo[4,5-B]Pyrazin-6-Yl)-1H-Pyrazol-1-Yl)Ethanol (Pf-04217903) for the Treatment of Cancer. J.Med.Chem., 55, 2012
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3ZZE
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![BU of 3zze by Molmil](/molmil-images/mine/3zze) | Crystal structure of C-MET kinase domain in complex with N'-((3Z)-4- chloro-7-methyl-2-oxo-1,2-dihydro-3H-indol-3-ylidene)-2-(4- hydroxyphenyl)propanohydrazide | Descriptor: | (2S)-N'-[(3R)-4-chloro-7-methyl-2-oxo-2,3-dihydro-1H-indol-3-yl]-2-(4-hydroxyphenyl)propanehydrazide, HEPATOCYTE GROWTH FACTOR RECEPTOR | Authors: | McTigue, M, Deng, Y, Ryan, K, Cui, J.J. | Deposit date: | 2011-08-31 | Release date: | 2011-09-14 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | Discovery of a Novel Class of Exquisitely Selective Mesenchymal-Epithelial Transition Factor (C-met) Protein Kinase Inhibitors and Identification of the Clinical Candidate 2-(4-(1-(Quinolin-6-Ylmethyl)-1H-[1,2, 3]Triazolo[4,5-B]Pyrazin-6-Yl)-1H-Pyrazol-1-Yl)Ethanol (Pf-04217903) for the Treatment of Cancer. J.Med.Chem., 55, 2012
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5YY5
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![BU of 5yy5 by Molmil](/molmil-images/mine/5yy5) | Structural definition of a unique neutralization epitope on the receptor-binding domain of MERS-CoV spike glycoprotein | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain, Light chain, ... | Authors: | Zhang, S, Wang, P, Zhou, P, Wang, X, Zhang, L. | Deposit date: | 2017-12-08 | Release date: | 2018-08-01 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural Definition of a Unique Neutralization Epitope on the Receptor-Binding Domain of MERS-CoV Spike Glycoprotein Cell Rep, 24, 2018
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5ZXV
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5Z9R
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3KM4
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![BU of 3km4 by Molmil](/molmil-images/mine/3km4) | Optimization of Orally Bioavailable Alkyl Amine Renin Inhibitors | Descriptor: | (3R)-3-[(1S)-4-(acetylamino)-1-(3-chlorophenyl)-1-hydroxybutyl]-N-{(1S)-2-cyclohexyl-1-[(methylamino)methyl]ethyl}piperidine-1-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Wu, Z, McKeever, B.M. | Deposit date: | 2009-11-09 | Release date: | 2010-01-12 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Optimization of orally bioavailable alkyl amine renin inhibitors. Bioorg.Med.Chem.Lett., 20, 2010
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4QPM
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![BU of 4qpm by Molmil](/molmil-images/mine/4qpm) | Structure of Bub1 kinase domain | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, MAGNESIUM ION, ... | Authors: | Lin, Z.H, Jia, L.Y, Tomchick, D.R, Luo, X.L, Yu, H.T. | Deposit date: | 2014-06-24 | Release date: | 2014-10-22 | Last modified: | 2014-12-24 | Method: | X-RAY DIFFRACTION (2.202 Å) | Cite: | Substrate-Specific Activation of the Mitotic Kinase Bub1 through Intramolecular Autophosphorylation and Kinetochore Targeting. Structure, 22, 2014
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7SOL
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![BU of 7sol by Molmil](/molmil-images/mine/7sol) | Crystal Structures of the bispecific ubiquitin/FAT10 activating enzyme, Uba6 | Descriptor: | ADENOSINE MONOPHOSPHATE, INOSITOL HEXAKISPHOSPHATE, Ubiquitin, ... | Authors: | Olsen, S.K, Gao, F, Lv, Z. | Deposit date: | 2021-10-31 | Release date: | 2022-11-02 | Last modified: | 2024-04-17 | Method: | X-RAY DIFFRACTION (2.25000644 Å) | Cite: | Crystal structures reveal catalytic and regulatory mechanisms of the dual-specificity ubiquitin/FAT10 E1 enzyme Uba6. Nat Commun, 13, 2022
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3Q3T
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![BU of 3q3t by Molmil](/molmil-images/mine/3q3t) | Alkyl Amine Renin Inhibitors: Filling S1 from S3 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, ... | Authors: | Wu, Z, McKeever, B. | Deposit date: | 2010-12-22 | Release date: | 2011-08-03 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Biphenyl/diphenyl ether renin inhibitors: Filling the S1 pocket of renin via the S3 pocket. Bioorg.Med.Chem.Lett., 21, 2011
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7X53
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![BU of 7x53 by Molmil](/molmil-images/mine/7x53) | cytochrome P450 monooxygenase | Descriptor: | Cytochrome P450 family protein, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Yan, Y, Zheng, C. | Deposit date: | 2022-03-03 | Release date: | 2023-03-08 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (3.35 Å) | Cite: | Structure of cytochrome P450 monooxygenase at 3.35 Angstroms resolution. To Be Published
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7DZE
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![BU of 7dze by Molmil](/molmil-images/mine/7dze) | Fabp ground state captured by XFELs | Descriptor: | Fatty acid-binding protein, liver, PALMITIC ACID | Authors: | Li, H, Yu, L.-J, Liu, X, Shen, J.-R, Wang, J. | Deposit date: | 2021-01-25 | Release date: | 2022-07-27 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Excited-state intermediates in a designer protein encoding a phototrigger caught by an X-ray free-electron laser. Nat.Chem., 14, 2022
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7DZH
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![BU of 7dzh by Molmil](/molmil-images/mine/7dzh) | intermediate of FABP with a delay time of 100 ns | Descriptor: | Fatty acid-binding protein, liver, PALMITIC ACID | Authors: | Li, H, Yu, L.-J, Liu, X, Shen, J.-R, Wang, J. | Deposit date: | 2021-01-25 | Release date: | 2022-07-27 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Excited-state intermediates in a designer protein encoding a phototrigger caught by an X-ray free-electron laser. Nat.Chem., 14, 2022
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7DZF
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![BU of 7dzf by Molmil](/molmil-images/mine/7dzf) | Intermediate of FABP with a delay time of 10 ns | Descriptor: | Fatty acid-binding protein, liver, PALMITIC ACID | Authors: | Li, H, Yu, L.-J, Liu, X, Shen, J.-R, Wang, J. | Deposit date: | 2021-01-25 | Release date: | 2022-07-27 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Excited-state intermediates in a designer protein encoding a phototrigger caught by an X-ray free-electron laser. Nat.Chem., 14, 2022
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7DZG
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![BU of 7dzg by Molmil](/molmil-images/mine/7dzg) | Intermediate of FABP with a delay time of 30 ns | Descriptor: | Fatty acid-binding protein, liver, PALMITIC ACID | Authors: | Li, H, Yu, L.-J, Liu, X, Shen, J.-R, Wang, J. | Deposit date: | 2021-01-25 | Release date: | 2022-07-27 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Excited-state intermediates in a designer protein encoding a phototrigger caught by an X-ray free-electron laser. Nat.Chem., 14, 2022
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7DZI
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![BU of 7dzi by Molmil](/molmil-images/mine/7dzi) | intermediate of FABP with a delay time of 300 ns | Descriptor: | Fatty acid-binding protein, liver, PALMITIC ACID | Authors: | Li, H, Yu, L.-J, Liu, X, Shen, J.-R, Wang, J. | Deposit date: | 2021-01-25 | Release date: | 2022-07-27 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Excited-state intermediates in a designer protein encoding a phototrigger caught by an X-ray free-electron laser. Nat.Chem., 14, 2022
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7DZJ
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![BU of 7dzj by Molmil](/molmil-images/mine/7dzj) | Fabp protein before hv | Descriptor: | Fatty acid-binding protein, liver, PALMITIC ACID | Authors: | Li, H, Yu, L.-J, Liu, X, Shen, J.-R, Wang, J. | Deposit date: | 2021-01-25 | Release date: | 2022-07-27 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | Excited-state intermediates in a designer protein encoding a phototrigger caught by an X-ray free-electron laser. Nat.Chem., 14, 2022
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7DZK
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![BU of 7dzk by Molmil](/molmil-images/mine/7dzk) | Fabp protein after hv | Descriptor: | Fatty acid-binding protein, liver, PALMITIC ACID | Authors: | Li, H, Yu, L.-J, Liu, X, Shen, J.-R, Wang, J. | Deposit date: | 2021-01-25 | Release date: | 2022-07-27 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | Excited-state intermediates in a designer protein encoding a phototrigger caught by an X-ray free-electron laser. Nat.Chem., 14, 2022
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7DZL
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![BU of 7dzl by Molmil](/molmil-images/mine/7dzl) | A69C-M71L mutant of Fabp protein | Descriptor: | Fatty acid-binding protein, liver, PALMITIC ACID | Authors: | Li, H, Yu, L.-J, Liu, X, Shen, J.-R, Wang, J. | Deposit date: | 2021-01-25 | Release date: | 2022-07-27 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.64 Å) | Cite: | Excited-state intermediates in a designer protein encoding a phototrigger caught by an X-ray free-electron laser. Nat.Chem., 14, 2022
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7FEF
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![BU of 7fef by Molmil](/molmil-images/mine/7fef) | Crystal structure of AtMBD6 with DNA | Descriptor: | DNA (5'-D(*GP*CP*CP*AP*AP*(5CM)P*GP*TP*TP*GP*GP*C)-3'), Methyl-CpG-binding domain-containing protein 6 | Authors: | Wu, Z.B, Liu, K, Min, J.R. | Deposit date: | 2021-07-19 | Release date: | 2021-12-29 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.39 Å) | Cite: | Family-wide Characterization of Methylated DNA Binding Ability of Arabidopsis MBDs. J.Mol.Biol., 434, 2022
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