6DAM
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![BU of 6dam by Molmil](/molmil-images/mine/6dam) | Crystal structure of lanthanide-dependent methanol dehydrogenase XoxF from Methylomicrobium buryatense 5G | Descriptor: | LANTHANUM (III) ION, Lanthanide-dependent methanol dehydrogenase XoxF, PYRROLOQUINOLINE QUINONE, ... | Authors: | Deng, Y, Ro, S.Y, Rosenzweig, A.C. | Deposit date: | 2018-05-01 | Release date: | 2018-09-05 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structure and function of the lanthanide-dependent methanol dehydrogenase XoxF from the methanotroph Methylomicrobium buryatense 5GB1C. J. Biol. Inorg. Chem., 23, 2018
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4QYY
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![BU of 4qyy by Molmil](/molmil-images/mine/4qyy) | Discovery of Novel, Dual Mechanism ERK Inhibitors by Affinity Selection Screening of an Inactive Kinase State | Descriptor: | (3R)-1-{2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl}-N-(3-chloro-4-hydroxyphenyl)pyrrolidine-3-carboxamide, Mitogen-activated protein kinase 1, SULFATE ION | Authors: | Deng, Y, Shipps, G.W, Cooper, A, English, J.M, Annis, D.A, Carr, D, Nan, Y, Wang, T, Zhu, Y.H, Chuang, C, Dayananth, P, Hruza, A.W, Xiao, L, Jin, W, Kirschmeier, P, Windsor, W.T, Samatar, A.A. | Deposit date: | 2014-07-26 | Release date: | 2014-11-12 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Discovery of Novel, Dual Mechanism ERK Inhibitors by Affinity Selection Screening of an Inactive Kinase. J.Med.Chem., 57, 2014
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2B1F
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![BU of 2b1f by Molmil](/molmil-images/mine/2b1f) | Antiparallel four-stranded coiled coil specified by a 3-3-1 hydrophobic heptad repeat | Descriptor: | General control protein GCN4 | Authors: | Deng, Y, Liu, J, Zheng, Q, Eliezer, D, Kallenbach, N.R, Lu, M. | Deposit date: | 2005-09-15 | Release date: | 2006-01-31 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Antiparallel four-stranded coiled coil specified by a 3-3-1 hydrophobic heptad repeat. Structure, 14, 2006
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2B22
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![BU of 2b22 by Molmil](/molmil-images/mine/2b22) | Antiparallel four-stranded coiled coil specified by a 3-3-1 hydrophobic heptad repeat | Descriptor: | General control protein GCN4, SODIUM ION | Authors: | Deng, Y, Liu, J, Zheng, Q, Eliezer, D, Kallenbach, N.R, Lu, M. | Deposit date: | 2005-09-16 | Release date: | 2006-01-31 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Antiparallel four-stranded coiled coil specified by a 3-3-1 hydrophobic heptad repeat. Structure, 14, 2006
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1ZVB
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![BU of 1zvb by Molmil](/molmil-images/mine/1zvb) | A structure-based mechanism of SARS virus membrane fusion | Descriptor: | E2 glycoprotein | Authors: | Deng, Y, Liu, J, Zheng, Q, Yong, W, Dai, J, Lu, M. | Deposit date: | 2005-06-01 | Release date: | 2006-05-16 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structures and Polymorphic Interactions of Two Heptad-Repeat Regions of the SARS Virus S2 Protein. Structure, 14, 2006
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1ZV8
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![BU of 1zv8 by Molmil](/molmil-images/mine/1zv8) | A structure-based mechanism of SARS virus membrane fusion | Descriptor: | ACETATE ION, CACODYLATE ION, E2 glycoprotein, ... | Authors: | Deng, Y, Liu, J, Zheng, Q, Yong, W, Dai, J, Lu, M. | Deposit date: | 2005-06-01 | Release date: | 2006-05-16 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Structures and Polymorphic Interactions of Two Heptad-Repeat Regions of the SARS Virus S2 Protein. Structure, 14, 2006
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1ZVA
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![BU of 1zva by Molmil](/molmil-images/mine/1zva) | A structure-based mechanism of SARS virus membrane fusion | Descriptor: | E2 glycoprotein | Authors: | Deng, Y, Liu, J, Zheng, Q, Yong, W, Dai, J, Lu, M. | Deposit date: | 2005-06-01 | Release date: | 2006-05-16 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structures and Polymorphic Interactions of Two Heptad-Repeat Regions of the SARS Virus S2 Protein. Structure, 14, 2006
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1ZV7
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![BU of 1zv7 by Molmil](/molmil-images/mine/1zv7) | A structure-based mechanism of SARS virus membrane fusion | Descriptor: | CHLORIDE ION, spike glycoprotein | Authors: | Deng, Y, Liu, J, Zheng, Q, Yong, W, Dai, J, Lu, M. | Deposit date: | 2005-06-01 | Release date: | 2006-05-16 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structures and Polymorphic Interactions of Two Heptad-Repeat Regions of the SARS Virus S2 Protein. Structure, 14, 2006
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7EN0
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![BU of 7en0 by Molmil](/molmil-images/mine/7en0) | Structure and Activity of SLAC1 Channels for Stomatal Signaling in Leaves | Descriptor: | DIUNDECYL PHOSPHATIDYL CHOLINE, SLow Anion Channel 1, SPHINGOSINE | Authors: | Deng, Y, Kashtoh, H, Wang, Q, Zhen, G, Li, Q, Tang, L, Gao, H, Zhang, C, Qin, L, Su, M, Li, F, Huang, X, Wang, Y, Xie, Q, Clarke, O.B, Hendrickson, W.A, Chen, Y. | Deposit date: | 2021-04-15 | Release date: | 2021-05-19 | Last modified: | 2024-06-05 | Method: | ELECTRON MICROSCOPY (2.97 Å) | Cite: | Structure and activity of SLAC1 channels for stomatal signaling in leaves. Proc.Natl.Acad.Sci.USA, 118, 2021
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4UXL
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![BU of 4uxl by Molmil](/molmil-images/mine/4uxl) | Structure of Human ROS1 Kinase Domain in Complex with PF-06463922 | Descriptor: | (10R)-7-amino-12-fluoro-2,10,16-trimethyl-15-oxo-10,15,16,17-tetrahydro-2H-8,4-(metheno)pyrazolo[4,3-h][2,5,11]benzoxadiazacyclotetradecine-3-carbonitrile, PROTO-ONCOGENE TYROSINE-PROTEIN KINASE ROS | Authors: | McTigue, M, Deng, Y, Liu, W, Brooun, A, Stewart, A. | Deposit date: | 2014-08-25 | Release date: | 2015-03-11 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Pf-06463922 is a Potent and Selective Next-Generation Ros1/Alk Inhibitor Capable of Blocking Crizotinib-Resistant Ros1 Mutations. Proc.Natl.Acad.Sci.USA, 112, 2015
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6DCG
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![BU of 6dcg by Molmil](/molmil-images/mine/6dcg) | Discovery of MK-8353: An Orally Bioavailable Dual Mechanism ERK Inhibitor for Oncology | Descriptor: | (3S)-3-(methylsulfanyl)-1-(2-{4-[4-(1-methyl-1H-1,2,4-triazol-3-yl)phenyl]-3,6-dihydropyridin-1(2H)-yl}-2-oxoethyl)-N-(3-{6-[(propan-2-yl)oxy]pyridin-3-yl}-1H-indazol-5-yl)pyrrolidine-3-carboxamide, Mitogen-activated protein kinase 1, SULFATE ION | Authors: | Boga, S.B, Deng, Y, Zhu, L, Nan, Y, Cooper, A, Shipps Jr, G.W, Doll, R, Shih, N, Zhu, H, Sun, R, Wang, T, Paliwal, S, Tsui, H, Gao, X, Yao, X, Desai, J, Wang, J, Alhassan, A.B, Kelly, J, Patel, M, Muppalla, K, Gudipati, S, Zhang, L, Buevich, A, Hesk, D, Carr, D, Dayananth, P, Mei, H, Cox, K, Sherborne, B, Hruza, A.W, Xiao, L, Jin, W, Long, B, Liu, G, Taylor, S.A, Kirschmeier, P, Windsor, W.T, Bishop, R, Samatar, A.A. | Deposit date: | 2018-05-06 | Release date: | 2018-08-08 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | MK-8353: Discovery of an Orally Bioavailable Dual Mechanism ERK Inhibitor for Oncology. ACS Med Chem Lett, 9, 2018
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4W2R
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![BU of 4w2r by Molmil](/molmil-images/mine/4w2r) | Structure of Hs/AcPRC2 in complex with 5,8-dichloro-2-[(4-methoxy-6-methyl-2-oxo-1,2-dihydropyridin-3-yl)methyl]-7-[(R)-methoxy(oxetan-3-yl)methyl]-3,4-dihydroisoquinolin-1(2H)-one | Descriptor: | 5,8-dichloro-2-[(4-methoxy-6-methyl-2-oxo-1,2-dihydropyridin-3-yl)methyl]-7-[(R)-methoxy(oxetan-3-yl)methyl]-3,4-dihydroisoquinolin-1(2H)-one, Enhancer of zeste 2 polycomb repressive complex 2 subunit, Polycomb protein EED, ... | Authors: | Gajiwala, K.S, Brooun, A, Liu, W, Deng, Y, Stewart, A.E. | Deposit date: | 2017-09-25 | Release date: | 2017-12-27 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.81 Å) | Cite: | Optimization of Orally Bioavailable Enhancer of Zeste Homolog 2 (EZH2) Inhibitors Using Ligand and Property-Based Design Strategies: Identification of Development Candidate (R)-5,8-Dichloro-7-(methoxy(oxetan-3-yl)methyl)-2-((4-methoxy-6-methyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)-3,4-dihydroisoquinolin-1(2H)-one (PF-06821497). J. Med. Chem., 61, 2018
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6QYH
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![BU of 6qyh by Molmil](/molmil-images/mine/6qyh) | Structure of Apo HPAB from E.coli | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 4-hydroxyphenylacetate 3-monooxygenase oxygenase component, CALCIUM ION, ... | Authors: | Pecqueur, L, Lombard, M, Deng, Y, Fontecave, M. | Deposit date: | 2019-03-09 | Release date: | 2019-06-12 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Structural and Functional Characterization of 4-Hydroxyphenylacetate 3-Hydroxylase from Escherichia coli. Chembiochem, 21, 2020
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6QYI
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![BU of 6qyi by Molmil](/molmil-images/mine/6qyi) | Structure of HPAB from E.coli in complex with FAD | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 4-hydroxyphenylacetate 3-monooxygenase oxygenase component, DI(HYDROXYETHYL)ETHER, ... | Authors: | Pecqueur, L, Lombard, M, Deng, Y, Fontecave, M. | Deposit date: | 2019-03-09 | Release date: | 2019-06-12 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural and Functional Characterization of 4-Hydroxyphenylacetate 3-Hydroxylase from Escherichia coli. Chembiochem, 21, 2020
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8SIO
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![BU of 8sio by Molmil](/molmil-images/mine/8sio) | Crystal structure of PRMT3 with YD1-66 | Descriptor: | 5'-S-{3-[N'-(4'-chloro[1,1'-biphenyl]-3-yl)carbamimidamido]propyl}-5'-thioadenosine, Protein arginine N-methyltransferase 3 | Authors: | Song, X, Dong, A, Arrowsmith, C.H, Edwards, A.M, Deng, Y, Huang, R, Min, J. | Deposit date: | 2023-04-16 | Release date: | 2024-04-17 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal structure of PRMT3 with YD1-66 To be published
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8SHR
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![BU of 8shr by Molmil](/molmil-images/mine/8shr) | Crystal Structure of PRMT3 with Compound YD1-214 | Descriptor: | 5'-S-[2-(phenylcarbamamido)ethyl]-5'-thioadenosine, Protein arginine N-methyltransferase 3 | Authors: | Song, X, Dong, A, Deng, Y, Huang, R, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | Deposit date: | 2023-04-14 | Release date: | 2024-04-17 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | Crystal Structure of PRMT3 with Compound YD1-214 To be published
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8SHB
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![BU of 8shb by Molmil](/molmil-images/mine/8shb) | Crystal Structure of PRMT3 with Compound YD1-208 | Descriptor: | 5'-S-[3-(N'-phenylcarbamimidamido)propyl]-5'-thioadenosine, Protein arginine N-methyltransferase 3 | Authors: | Song, X, Dong, A, Deng, Y, Huang, R, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | Deposit date: | 2023-04-13 | Release date: | 2024-04-24 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | Crystal Structure of PRMT3 with Compound YD1-208 To be published
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8SIH
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![BU of 8sih by Molmil](/molmil-images/mine/8sih) | Crystal Structure of PRMT4 with Compound YD1-289 | Descriptor: | 5'-{[2-(benzylcarbamamido)ethyl][3-(N'-cyclopentylcarbamimidamido)propyl]amino}-5'-deoxyadenosine, CALCIUM ION, Histone-arginine methyltransferase CARM1 | Authors: | Song, X, Dong, A, Deng, Y, Huang, R, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | Deposit date: | 2023-04-16 | Release date: | 2024-04-24 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Crystal Structure of PRMT4 with Compound YD1-289 To be published
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8SIG
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![BU of 8sig by Molmil](/molmil-images/mine/8sig) | Crystal Structure of PRMT4 with Compound YD1-288 | Descriptor: | 5'-{(3-aminopropyl)[2-(benzylcarbamamido)ethyl]amino}-5'-deoxyadenosine, Histone-arginine methyltransferase CARM1, SODIUM ION, ... | Authors: | Song, X, Dong, A, Deng, Y, Huang, R, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | Deposit date: | 2023-04-16 | Release date: | 2024-04-24 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Crystal Structure of PRMT4 with Compound YD1-288 To be published
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2A7R
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![BU of 2a7r by Molmil](/molmil-images/mine/2a7r) | Crystal structure of human Guanosine Monophosphate reductase 2 (GMPR2) | Descriptor: | GMP reductase 2, GUANOSINE-5'-MONOPHOSPHATE, SULFATE ION | Authors: | Li, J, Wei, Z, Zheng, M, Gu, X, Deng, Y, Qiu, R, Chen, F, Ji, C, Gong, W, Xie, Y, Mao, Y. | Deposit date: | 2005-07-05 | Release date: | 2006-01-31 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Crystal Structure of Human Guanosine Monophosphate Reductase 2 (GMPR2) in Complex with GMP J.Mol.Biol., 355, 2006
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2GUV
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![BU of 2guv by Molmil](/molmil-images/mine/2guv) | Conformational Transition between Four- and Five-stranded Phenylalanine Zippers Determined by a Local Packing Interaction | Descriptor: | Major outer membrane lipoprotein | Authors: | Liu, J, Zheng, Q, Deng, Y, Kallenbach, N.R, Lu, M. | Deposit date: | 2006-05-01 | Release date: | 2006-07-25 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Conformational Transition between Four and Five-stranded Phenylalanine Zippers Determined by a Local Packing Interaction. J.Mol.Biol., 361, 2006
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2GUS
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![BU of 2gus by Molmil](/molmil-images/mine/2gus) | Conformational Transition between Four- and Five-stranded Phenylalanine Zippers Determined by a Local Packing Interaction | Descriptor: | Major outer membrane lipoprotein | Authors: | Liu, J, Zheng, Q, Deng, Y, Kallenbach, N.R, Lu, M. | Deposit date: | 2006-05-01 | Release date: | 2006-07-25 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Conformational Transition between Four and Five-stranded Phenylalanine Zippers Determined by a Local Packing Interaction. J.Mol.Biol., 361, 2006
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2HY6
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![BU of 2hy6 by Molmil](/molmil-images/mine/2hy6) | A seven-helix coiled coil | Descriptor: | General control protein GCN4, HEXANE-1,6-DIOL | Authors: | Liu, J, Zheng, Q, Deng, Y, Cheng, C.S, Kallenbach, N.R, Lu, M. | Deposit date: | 2006-08-04 | Release date: | 2006-10-24 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | A seven-helix coiled coil. Proc.Natl.Acad.Sci.Usa, 103, 2006
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1IA8
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![BU of 1ia8 by Molmil](/molmil-images/mine/1ia8) | THE 1.7 A CRYSTAL STRUCTURE OF HUMAN CELL CYCLE CHECKPOINT KINASE CHK1 | Descriptor: | CHK1 CHECKPOINT KINASE, SULFATE ION | Authors: | Chen, P, Luo, C, Deng, Y, Ryan, K, Register, J, Margosiak, S, Tempczyk-Russell, A, Nguyen, B, Myers, P, Lundgren, K, Chen Kan, C.-C, O'Connor, P.M. | Deposit date: | 2001-03-22 | Release date: | 2001-04-18 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | The 1.7 A crystal structure of human cell cycle checkpoint kinase Chk1: implications for Chk1 regulation. Cell(Cambridge,Mass.), 100, 2000
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1S18
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![BU of 1s18 by Molmil](/molmil-images/mine/1s18) | Structure and protein design of human apyrase | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, CALCIUM ION, ... | Authors: | Dai, J, Liu, J, Deng, Y, Smith, T.M, Lu, M. | Deposit date: | 2004-01-05 | Release date: | 2004-03-16 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structure and protein design of a human platelet function inhibitor. Cell(Cambridge,Mass.), 116, 2004
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