1UOS
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![BU of 1uos by Molmil](/molmil-images/mine/1uos) | The Crystal Structure of the Snake Venom Toxin Convulxin | Descriptor: | CONVULXIN ALPHA, CONVULXIN BETA | Authors: | Batuwangala, T, Leduc, M, Gibbins, J.M, Bon, C, Jones, E.Y. | Deposit date: | 2003-09-22 | Release date: | 2003-10-14 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structure of the Snake-Venom Toxin Convulxin Acta Crystallogr.,Sect.D, 60, 2004
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2H3D
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![BU of 2h3d by Molmil](/molmil-images/mine/2h3d) | Crystal Structure of Mouse Nicotinamide Phosphoribosyltransferase/Visfatin/Pre-B Cell Colony Enhancing Factor in Complex with Nicotinamide Mononuleotide | Descriptor: | BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE, Nicotinamide phosphoribosyltransferase | Authors: | Wang, T, Zhang, X, Bheda, P, Revollo, J.R, Imai, S.I, Wolberger, C. | Deposit date: | 2006-05-22 | Release date: | 2006-06-20 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structure of Nampt/PBEF/visfatin, a mammalian NAD(+) biosynthetic enzyme. Nat.Struct.Mol.Biol., 13, 2006
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2H3B
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![BU of 2h3b by Molmil](/molmil-images/mine/2h3b) | Crystal Structure of Mouse Nicotinamide Phosphoribosyltransferase/Visfatin/Pre-B Cell Colony Enhancing Factor 1 | Descriptor: | Nicotinamide phosphoribosyltransferase, SULFATE ION | Authors: | Wang, T, Zhang, X, Bheda, P, Revollo, J.R, Imai, S.I, Wolberger, C. | Deposit date: | 2006-05-22 | Release date: | 2006-06-20 | Last modified: | 2021-10-20 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structure of Nampt/PBEF/visfatin, a mammalian NAD(+) biosynthetic enzyme. Nat.Struct.Mol.Biol., 13, 2006
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2LI6
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2L7Y
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![BU of 2l7y by Molmil](/molmil-images/mine/2l7y) | |
7DYQ
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![BU of 7dyq by Molmil](/molmil-images/mine/7dyq) | Crystal structure of histone lysine demethylase 4D (KDM4D) in complex with the inhibitor 5-hydroxy-2-methylpyrazolo[1,5-a]pyrido[3,2-e]pyrimidine-3-carbonitrile | Descriptor: | 5-hydroxy-2-methylpyrazolo[1,5-a]pyrido[3,2-e]pyrimidine-3-carbonitrile, FE (III) ION, Lysine-specific demethylase 4D | Authors: | Wang, T, Yang, L. | Deposit date: | 2021-01-22 | Release date: | 2022-01-26 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.998 Å) | Cite: | Crystal structure of histone lysine demethylase 4D (KDM4D) in complex with the inhibitor 5-hydroxy-2-methylpyrazolo[1,5-a]pyrido[3,2-e]pyrimidine-3-carbonitrile To Be Published
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7DYG
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3ULI
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![BU of 3uli by Molmil](/molmil-images/mine/3uli) | Human Cyclin Dependent Kinase 2 (CDK2) bound to azabenzimidazole derivative | Descriptor: | 1-(aminomethyl)-N-(3-{[6-bromo-2-(4-methoxyphenyl)-3H-imidazo[4,5-b]pyridin-7-yl]amino}propyl)cyclopropanecarboxamide, Cyclin-dependent kinase 2 | Authors: | Larsen, N.A, Tucker, J.A, Wang, T. | Deposit date: | 2011-11-10 | Release date: | 2013-08-14 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Discovery of azabenzimidazole derivatives as potent, selective inhibitors of TBK1/IKK epsilon kinases. Bioorg.Med.Chem.Lett., 22, 2012
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4O56
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![BU of 4o56 by Molmil](/molmil-images/mine/4o56) | Structure of PLK1 in complex with peptide | Descriptor: | PHOSPHATE ION, Serine/threonine-protein kinase PLK1, synthetic peptide | Authors: | Wang, T. | Deposit date: | 2013-12-19 | Release date: | 2014-12-24 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Integration of Charge-dipole Interaction and Intramolecular Hydrogen Bond in Ligand Design for the Polo-Box Domain of Polo-like Kinase 1 To be Published
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4FQB
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6WKS
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![BU of 6wks by Molmil](/molmil-images/mine/6wks) | Structure of SARS-CoV-2 nsp16/nsp10 in complex with RNA cap analogue (m7GpppA) and S-adenosylmethionine | Descriptor: | 1,2-ETHANEDIOL, 2'-O-methyltransferase, ADENOSINE, ... | Authors: | Gupta, Y.K, Viswanathan, T, Arya, S, Qi, S, Misra, A, Chan, S.-H. | Deposit date: | 2020-04-16 | Release date: | 2020-05-06 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural basis of RNA cap modification by SARS-CoV-2. Nat Commun, 11, 2020
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4LUQ
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6ES9
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![BU of 6es9 by Molmil](/molmil-images/mine/6es9) | Methylsuccinyl-CoA dehydrogenase of Paracoccus denitrificans with bound flavin adenine dinucleotide | Descriptor: | Acyl-CoA dehydrogenase, COENZYME A, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Zarzycki, J, Schwander, T, Erb, T.J. | Deposit date: | 2017-10-19 | Release date: | 2018-01-03 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.37 Å) | Cite: | Structural basis for substrate specificity of methylsuccinyl-CoA dehydrogenase, an unusual member of the acyl-CoA dehydrogenase family. J. Biol. Chem., 293, 2018
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3KCK
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![BU of 3kck by Molmil](/molmil-images/mine/3kck) | A Novel Chemotype of Kinase Inhibitors | Descriptor: | 3-chloro-4-(4H-3,4,7-triazadibenzo[cd,f]azulen-6-yl)phenol, Tyrosine-protein kinase JAK2 | Authors: | Zuccola, H.J, Wang, T, Ledeboer, M.W. | Deposit date: | 2009-10-21 | Release date: | 2009-11-24 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | A novel chemotype of kinase inhibitors: Discovery of 3,4-ring fused 7-azaindoles and deazapurines as potent JAK2 inhibitors. Bioorg.Med.Chem.Lett., 20, 2010
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5KWA
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4DOX
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4EFE
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![BU of 4efe by Molmil](/molmil-images/mine/4efe) | crystal structure of DNA ligase | Descriptor: | BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE, DNA ligase, SULFATE ION, ... | Authors: | Wei, Y, Wang, T, Charifson, P, Xu, W. | Deposit date: | 2012-03-29 | Release date: | 2013-04-03 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | crystal structure of DNA ligase To be Published
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4EFB
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![BU of 4efb by Molmil](/molmil-images/mine/4efb) | Crystal structure of DNA ligase | Descriptor: | 4-amino-2-(cyclopentyloxy)-6-{[(1R,2S)-2-hydroxycyclopentyl]oxy}pyrimidine-5-carboxamide, BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE, DNA ligase, ... | Authors: | Wei, Y, Wang, T, Charifson, P, Xu, W. | Deposit date: | 2012-03-29 | Release date: | 2013-04-03 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal structure of DNA ligase To be Published
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3M9H
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3M9B
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3M9D
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7LW3
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![BU of 7lw3 by Molmil](/molmil-images/mine/7lw3) | Structure of SARS-CoV-2 nsp16/nsp10 complex in presence of Cap-1 analog (m7GpppAmU) and SAH | Descriptor: | 1,2-ETHANEDIOL, 2'-O-methyltransferase, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ... | Authors: | Gupta, Y.K, Viswanathan, T, Misra, A, Qi, S. | Deposit date: | 2021-02-27 | Release date: | 2021-05-05 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | A metal ion orients SARS-CoV-2 mRNA to ensure accurate 2'-O methylation of its first nucleotide. Nat Commun, 12, 2021
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7LW4
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![BU of 7lw4 by Molmil](/molmil-images/mine/7lw4) | Structure of SARS-CoV-2 nsp16/nsp10 complex in presence of S-adenosyl-L-homocysteine (SAH) | Descriptor: | 1,2-ETHANEDIOL, 2'-O-methyltransferase, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ... | Authors: | Gupta, Y.K, Viswanathan, T, Misra, A, Qi, S. | Deposit date: | 2021-02-27 | Release date: | 2021-05-05 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | A metal ion orients SARS-CoV-2 mRNA to ensure accurate 2'-O methylation of its first nucleotide. Nat Commun, 12, 2021
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3OHN
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![BU of 3ohn by Molmil](/molmil-images/mine/3ohn) | Crystal structure of the FimD translocation domain | Descriptor: | Outer membrane usher protein FimD | Authors: | Wang, T, Li, H. | Deposit date: | 2010-08-17 | Release date: | 2011-06-01 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (3.011 Å) | Cite: | Crystal structure of the FimD usher bound to its cognate FimC-FimH substrate. Nature, 474, 2011
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3WA5
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![BU of 3wa5 by Molmil](/molmil-images/mine/3wa5) | Crystal Structure of type VI peptidoglycan muramidase effector Tse3 in complex with its cognate immunity protein Tsi3 | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, Tse3-specific immunity protein, ... | Authors: | Ding, J, Wang, T, Liu, W, Wang, D.C. | Deposit date: | 2013-04-26 | Release date: | 2013-10-02 | Last modified: | 2019-12-25 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Complex structure of type VI peptidoglycan muramidase effector and a cognate immunity protein. Acta Crystallogr.,Sect.D, 69, 2013
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