2YHV
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2YJR
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2YJS
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2YFX
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![BU of 2yfx by Molmil](/molmil-images/mine/2yfx) | Structure of L1196M Mutant Anaplastic Lymphoma Kinase in Complex with Crizotinib | 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. | Deposit date: | 2011-04-08 | Release date: | 2011-05-04 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Design of Potent and Selective Inhibitors to Overcome Clinical Anaplastic Lymphoma Kinase Mutations Resistant to Crizotinib. J.Med.Chem., 57, 2014
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2P4Q
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![BU of 2p4q by Molmil](/molmil-images/mine/2p4q) | Crystal Structure Analysis of Gnd1 in Saccharomyces cerevisiae | Descriptor: | 6-phosphogluconate dehydrogenase, decarboxylating 1, CITRATE ANION | Authors: | He, W, Wang, Y, Liu, W, Zhou, C.Z. | Deposit date: | 2007-03-12 | Release date: | 2007-07-24 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.37 Å) | Cite: | Crystal structure of Saccharomyces cerevisiae 6-phosphogluconate dehydrogenase Gnd1 Bmc Struct.Biol., 7, 2007
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7JRE
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3VSG
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![BU of 3vsg by Molmil](/molmil-images/mine/3vsg) | Crystal structure of iron free 1,6-APD, 2-Animophenol-1,6-Dioxygenase | Descriptor: | 2-amino-5-chlorophenol 1,6-dioxygenase alpha subunit, 2-amino-5-chlorophenol 1,6-dioxygenase beta subunit | Authors: | Li, D.F, Hou, Y.J, Hu, Y, Wang, D.C, Liu, W. | Deposit date: | 2012-04-25 | Release date: | 2013-01-16 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structures of aminophenol dioxygenase in complex with intermediate, product and inhibitor Acta Crystallogr.,Sect.D, 69, 2013
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3VSJ
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![BU of 3vsj by Molmil](/molmil-images/mine/3vsj) | Crystal structure of 1,6-APD (2-ANIMOPHENOL-1,6-DIOXYGENASE) complexed with intermediate products | Descriptor: | (2Z,4Z)-2-imino-6-oxohex-4-enoic acid, (3E)-3-iminooxepin-2(3H)-one, 2-amino-5-chlorophenol 1,6-dioxygenase alpha subunit, ... | Authors: | Li, D.F, Hou, Y.J, Hu, Y, Wang, D.C, Liu, W. | Deposit date: | 2012-04-25 | Release date: | 2013-01-16 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structures of aminophenol dioxygenase in complex with intermediate, product and inhibitor Acta Crystallogr.,Sect.D, 69, 2013
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3VSI
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![BU of 3vsi by Molmil](/molmil-images/mine/3vsi) | Crystal structure of native 1,6-APD (2-Animophenol-1,6-dioxygenase) complex with 4-Nitrocatechol | Descriptor: | 2-amino-5-chlorophenol 1,6-dioxygenase alpha subunit, 2-amino-5-chlorophenol 1,6-dioxygenase beta subunit, 4-NITROCATECHOL, ... | Authors: | Li, D.F, Hou, Y.J, Hu, Y, Wang, D.C, Liu, W. | Deposit date: | 2012-04-25 | Release date: | 2013-01-16 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structures of aminophenol dioxygenase in complex with intermediate, product and inhibitor Acta Crystallogr.,Sect.D, 69, 2013
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3VSH
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![BU of 3vsh by Molmil](/molmil-images/mine/3vsh) | Crystal structure of native 1,6-APD (with Iron), 2-Animophenol-1,6-Dioxygenase | Descriptor: | 2-amino-5-chlorophenol 1,6-dioxygenase alpha subunit, 2-amino-5-chlorophenol 1,6-dioxygenase beta subunit, FE (II) ION | Authors: | Li, D.F, Hou, Y.J, Hu, Y, Wang, D.C, Liu, W. | Deposit date: | 2012-04-25 | Release date: | 2013-01-16 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structures of aminophenol dioxygenase in complex with intermediate, product and inhibitor Acta Crystallogr.,Sect.D, 69, 2013
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2HZ8
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![BU of 2hz8 by Molmil](/molmil-images/mine/2hz8) | QM/MM structure refined from NMR-structure of a single chain diiron protein | Descriptor: | De novo designed diiron protein, ZINC ION | Authors: | Calhoun, J.R, Liu, W, Spiegel, K, Dal Peraro, M, Klein, M.L, Wand, A.J, DeGrado, W.F. | Deposit date: | 2006-08-08 | Release date: | 2007-07-17 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | Solution NMR structure of a designed metalloprotein and complementary molecular dynamics refinement. Structure, 16, 2008
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1Z3Z
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![BU of 1z3z by Molmil](/molmil-images/mine/1z3z) | The crystal structure of a DGD mutant: Q52A | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, POTASSIUM ION, PYRIDOXAL-5'-PHOSPHATE, ... | Authors: | Fogle, E.J, Liu, W, Toney, M.D. | Deposit date: | 2005-03-14 | Release date: | 2006-01-03 | Last modified: | 2021-10-20 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Role of q52 in catalysis of decarboxylation and transamination in dialkylglycine decarboxylase. Biochemistry, 44, 2005
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5HEK
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![BU of 5hek by Molmil](/molmil-images/mine/5hek) | crystal structure of M1.HpyAVI | Descriptor: | Adenine specific DNA methyltransferase (DpnA) | Authors: | Ma, B, Zhang, H, Liu, W. | Deposit date: | 2016-01-06 | Release date: | 2016-11-16 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Biochemical and structural characterization of a DNA N6-adenine methyltransferase from Helicobacter pylori Oncotarget, 7, 2016
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5HFJ
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![BU of 5hfj by Molmil](/molmil-images/mine/5hfj) | crystal structure of M1.HpyAVI-SAM complex | Descriptor: | Adenine specific DNA methyltransferase (DpnA), S-ADENOSYLMETHIONINE | Authors: | Ma, B, Liu, W, Zhang, H. | Deposit date: | 2016-01-07 | Release date: | 2016-11-16 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Biochemical and structural characterization of a DNA N6-adenine methyltransferase from Helicobacter pylori Oncotarget, 7, 2016
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1YWN
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![BU of 1ywn by Molmil](/molmil-images/mine/1ywn) | Vegfr2 in complex with a novel 4-amino-furo[2,3-d]pyrimidine | Descriptor: | N-{4-[4-AMINO-6-(4-METHOXYPHENYL)FURO[2,3-D]PYRIMIDIN-5-YL]PHENYL}-N'-[2-FLUORO-5-(TRIFLUOROMETHYL)PHENYL]UREA, Vascular endothelial growth factor receptor 2 | Authors: | Miyazaki, Y, Matsunaga, S, Tang, J, Maeda, Y, Nakano, M, Philippe, R.J, Shibahara, M, Liu, W, Sato, H, Wang, L, Nolte, R.T. | Deposit date: | 2005-02-18 | Release date: | 2005-08-23 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.71 Å) | Cite: | Novel 4-amino-furo[2,3-d]pyrimidines as Tie-2 and VEGFR2 dual inhibitors Bioorg.Med.Chem.Lett., 15, 2005
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1ZC9
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![BU of 1zc9 by Molmil](/molmil-images/mine/1zc9) | The crystal structure of dialkylglycine decarboxylase complex with pyridoxamine 5-phosphate | Descriptor: | 2,2-dialkylglycine decarboxylase, 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, POTASSIUM ION, ... | Authors: | Fogle, E.J, Liu, W, Toney, M.D. | Deposit date: | 2005-04-11 | Release date: | 2006-01-03 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Role of q52 in catalysis of decarboxylation and transamination in dialkylglycine decarboxylase. Biochemistry, 44, 2005
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2CTN
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![BU of 2ctn by Molmil](/molmil-images/mine/2ctn) | STRUCTURE OF CALCIUM-SATURATED CARDIAC TROPONIN C, NMR, 30 STRUCTURES | Descriptor: | CALCIUM ION, TROPONIN C | Authors: | Sia, S.K, Li, M.X, Spyracopoulos, L, Gagne, S.M, Liu, W, Putkey, J.A, Sykes, B.D. | Deposit date: | 1997-05-06 | Release date: | 1998-05-06 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Structure of cardiac muscle troponin C unexpectedly reveals a closed regulatory domain. J.Biol.Chem., 272, 1997
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7MXN
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![BU of 7mxn by Molmil](/molmil-images/mine/7mxn) | PRMT5(M420T mutant):MEP50 complexed with inhibitor PF-06939999 | Descriptor: | (1S,2S,3S,5R)-3-{[6-(difluoromethyl)-5-fluoro-1,2,3,4-tetrahydroisoquinolin-8-yl]oxy}-5-(4-methyl-7H-pyrrolo[2,3-d]pyrimidin-7-yl)cyclopentane-1,2-diol, Methylosome protein 50, Protein arginine N-methyltransferase 5 | Authors: | McTigue, M, Deng, Y.L, Liu, W, Brooun, A. | Deposit date: | 2021-05-19 | Release date: | 2021-11-17 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | SAM-Competitive PRMT5 Inhibitor PF-06939999 Demonstrates Antitumor Activity in Splicing Dysregulated NSCLC with Decreased Liability of Drug Resistance. Mol.Cancer Ther., 21, 2022
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7MX7
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![BU of 7mx7 by Molmil](/molmil-images/mine/7mx7) | PRMT5:MEP50 complexed with inhibitor PF-06939999 | Descriptor: | (1S,2S,3S,5R)-3-{[6-(difluoromethyl)-5-fluoro-1,2,3,4-tetrahydroisoquinolin-8-yl]oxy}-5-(4-methyl-7H-pyrrolo[2,3-d]pyrimidin-7-yl)cyclopentane-1,2-diol, Methylosome protein 50, Protein arginine N-methyltransferase 5 | Authors: | McTigue, M, Deng, Y.L, Liu, W, Brooun, A. | Deposit date: | 2021-05-18 | Release date: | 2021-11-17 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.49 Å) | Cite: | SAM-Competitive PRMT5 Inhibitor PF-06939999 Demonstrates Antitumor Activity in Splicing Dysregulated NSCLC with Decreased Liability of Drug Resistance. Mol.Cancer Ther., 21, 2022
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7MXA
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![BU of 7mxa by Molmil](/molmil-images/mine/7mxa) | PRMT5:MEP50 complexed with inhibitor PF-06855800 | Descriptor: | 7-[(5R)-5-C-(4-chloro-3-fluorophenyl)-beta-D-ribofuranosyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine, Methylosome protein 50, Protein arginine N-methyltransferase 5 | Authors: | McTigue, M, Deng, Y.L, Liu, W, Brooun, A. | Deposit date: | 2021-05-18 | Release date: | 2021-11-17 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.713 Å) | Cite: | SAM-Competitive PRMT5 Inhibitor PF-06939999 Demonstrates Antitumor Activity in Splicing Dysregulated NSCLC with Decreased Liability of Drug Resistance. Mol.Cancer Ther., 21, 2022
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7MXG
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![BU of 7mxg by Molmil](/molmil-images/mine/7mxg) | PRMT5(M420T mutant):MEP50 complexed with inhibitor PF-06855800 | Descriptor: | 7-[(5R)-5-C-(4-chloro-3-fluorophenyl)-beta-D-ribofuranosyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine, Methylosome protein 50, Protein arginine N-methyltransferase 5 | Authors: | McTigue, M, Deng, Y.L, Liu, W, Brooun, A. | Deposit date: | 2021-05-19 | Release date: | 2021-11-17 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.395 Å) | Cite: | SAM-Competitive PRMT5 Inhibitor PF-06939999 Demonstrates Antitumor Activity in Splicing Dysregulated NSCLC with Decreased Liability of Drug Resistance. Mol.Cancer Ther., 21, 2022
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7MXC
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![BU of 7mxc by Molmil](/molmil-images/mine/7mxc) | PRMT5:MEP50 complexed with adenosine | Descriptor: | ADENOSINE, Methylosome protein 50, Protein arginine N-methyltransferase 5 | Authors: | McTigue, M, Deng, Y.L, Liu, W, Brooun, A. | Deposit date: | 2021-05-18 | Release date: | 2021-11-17 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.41 Å) | Cite: | SAM-Competitive PRMT5 Inhibitor PF-06939999 Demonstrates Antitumor Activity in Splicing Dysregulated NSCLC with Decreased Liability of Drug Resistance. Mol.Cancer Ther., 21, 2022
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7RFR
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![BU of 7rfr by Molmil](/molmil-images/mine/7rfr) | Structure of SARS-CoV-2 main protease in complex with a covalent inhibitor | Descriptor: | (1R,2S,5S)-N-{(1S,2S)-1-(1,3-benzothiazol-2-yl)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-3-(4-methoxy-1H-indole-2-carbonyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase | Authors: | Gajiwala, K.S, Ferre, R.A, Liu, W, Stewart, A.E. | Deposit date: | 2021-07-14 | Release date: | 2021-11-10 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.626 Å) | Cite: | An oral SARS-CoV-2 M pro inhibitor clinical candidate for the treatment of COVID-19. Science, 374, 2021
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7RFU
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![BU of 7rfu by Molmil](/molmil-images/mine/7rfu) | Structure of SARS-CoV-2 main protease in complex with a covalent inhibitor | Descriptor: | (1R,2S,5S)-N-{(1S,2S)-1-(1,3-benzothiazol-2-yl)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-3-[N-(methanesulfonyl)-L-valyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase | Authors: | Greasley, S.E, Ferre, R.A, Liu, W, Stewart, A.E. | Deposit date: | 2021-07-14 | Release date: | 2021-11-10 | Last modified: | 2022-01-05 | Method: | X-RAY DIFFRACTION (2.498 Å) | Cite: | An oral SARS-CoV-2 M pro inhibitor clinical candidate for the treatment of COVID-19. Science, 374, 2021
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7RFW
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![BU of 7rfw by Molmil](/molmil-images/mine/7rfw) | Structure of SARS-CoV-2 main protease in complex with a covalent inhibitor | Descriptor: | (1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase | Authors: | Greasley, S.E, Ferre, R.A, Liu, W, Stewart, A.E. | Deposit date: | 2021-07-14 | Release date: | 2021-11-10 | Last modified: | 2022-01-05 | Method: | X-RAY DIFFRACTION (1.729 Å) | Cite: | An oral SARS-CoV-2 M pro inhibitor clinical candidate for the treatment of COVID-19. Science, 374, 2021
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