5HV7
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![BU of 5hv7 by Molmil](/molmil-images/mine/5hv7) | |
5HTX
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6AEJ
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![BU of 6aej by Molmil](/molmil-images/mine/6aej) | Crystal structure of human FTO in complex with small-molecule inhibitors | Descriptor: | (E)-3-[3-nitro-4,5-bis(oxidanyl)phenyl]-2-(1,3-oxazinan-3-ylcarbonyl)prop-2-enenitrile, Alpha-ketoglutarate-dependent dioxygenase FTO,Alpha-ketoglutarate-dependent dioxygenase FTO, ZINC ION | Authors: | Wang, Y, Cao, R, Peng, S, Zhang, W, Huang, N. | Deposit date: | 2018-08-05 | Release date: | 2019-06-19 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Identification of entacapone as a chemical inhibitor of FTO mediating metabolic regulation through FOXO1. Sci Transl Med, 11, 2019
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8INI
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![BU of 8ini by Molmil](/molmil-images/mine/8ini) | vaccinia H2 protein without the transmembrane region | Descriptor: | TETRAETHYLENE GLYCOL, vaccinia h2 protein | Authors: | Liu, C.Y, Ko, T.P, Wang, H.C, Chang, W. | Deposit date: | 2023-03-10 | Release date: | 2023-11-15 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structural and functional analyses of viral H2 protein of the vaccinia virus entry fusion complex. J.Virol., 97, 2023
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6AK4
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![BU of 6ak4 by Molmil](/molmil-images/mine/6ak4) | Crystal structure of human FTO in complex with small-molecule inhibitors | Descriptor: | (~{E})-2-cyano-~{N},~{N}-diethyl-3-[3-nitro-4,5-bis(oxidanyl)phenyl]prop-2-enamide, Alpha-ketoglutarate-dependent dioxygenase FTO,Alpha-ketoglutarate-dependent dioxygenase FTO, ZINC ION | Authors: | Wang, Y, Cao, R, Peng, S, Zhang, W, Huang, N. | Deposit date: | 2018-08-30 | Release date: | 2019-07-10 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Identification of entacapone as a chemical inhibitor of FTO mediating metabolic regulation through FOXO1. Sci Transl Med, 11, 2019
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2V79
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![BU of 2v79 by Molmil](/molmil-images/mine/2v79) | Crystal Structure of the N-terminal domain of DnaD from Bacillus Subtilis | Descriptor: | CHLORIDE ION, DNA REPLICATION PROTEIN DNAD, SODIUM ION | Authors: | Schneider, S, Zhang, W, Soultanas, P, Paoli, M. | Deposit date: | 2007-07-27 | Release date: | 2008-01-15 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure of the N-Terminal Oligomerization Domain of Dnad Reveals a Unique Tetramerization Motif and Provides Insights Into Scaffold Formation. J.Mol.Biol., 376, 2008
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4RI2
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![BU of 4ri2 by Molmil](/molmil-images/mine/4ri2) | Crystal structure of the photoprotective protein PsbS from spinach | Descriptor: | CHLOROPHYLL A, MERCURY (II) ION, Photosystem II 22 kDa protein, ... | Authors: | Fan, M, Li, M, Chang, W. | Deposit date: | 2014-10-05 | Release date: | 2015-08-12 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Crystal structures of the PsbS protein essential for photoprotection in plants. Nat.Struct.Mol.Biol., 22, 2015
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4RI3
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![BU of 4ri3 by Molmil](/molmil-images/mine/4ri3) | Crystal structure of DCCD-modified PsbS from spinach | Descriptor: | DICYCLOHEXYLUREA, MERCURY (II) ION, Photosystem II 22 kDa protein, ... | Authors: | Fan, M, Li, M, Chang, W. | Deposit date: | 2014-10-05 | Release date: | 2015-08-12 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Crystal structures of the PsbS protein essential for photoprotection in plants. Nat.Struct.Mol.Biol., 22, 2015
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2B6A
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![BU of 2b6a by Molmil](/molmil-images/mine/2b6a) | Crystal structure of HIV-1 reverse transcriptase (RT) in complex with THR-50 | Descriptor: | 1-(2,6-DIFLUOROBENZYL)-2-(2,6-DIFLUOROPHENYL)-4-METHYL-1H-BENZIMIDAZOLE, Reverse transcriptase p51 subunit, Reverse transcriptase p66 subunit | Authors: | Morningstar, M.L, Roth, T, Smith, M.K, Zajac, M, Watson, K, Buckheit, R.W, Das, K, Zhang, W, Arnold, E, Michejda, C.J. | Deposit date: | 2005-09-30 | Release date: | 2005-11-01 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Crystal structure of HIV-1 reverse transcriptase (RT) in complex with THR-50 TO BE PUBLISHED
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6HOJ
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![BU of 6hoj by Molmil](/molmil-images/mine/6hoj) | Structure of Beclin1 LIR motif bound to GABARAP | Descriptor: | 1,2-ETHANEDIOL, Beclin-1,Gamma-aminobutyric acid receptor-associated protein, SULFATE ION | Authors: | Mouilleron, S, Birgisdottir, A.B, Bhujbal, Z, Wirth, M, Sjottem, E, Evjen, G, Zhang, W, Lee, R, O'Reilly, N, Tooze, S, Lamark, T, Johansen, T. | Deposit date: | 2018-09-17 | Release date: | 2019-02-27 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.51 Å) | Cite: | Members of the autophagy class III phosphatidylinositol 3-kinase complex I interact with GABARAP and GABARAPL1 via LIR motifs. Autophagy, 15, 2019
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6HYO
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![BU of 6hyo by Molmil](/molmil-images/mine/6hyo) | Structure of ULK1 LIR motif bound to GABARAP | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | Authors: | Mouilleron, S, Wirth, M, Zhang, W, O'Reilly, N, Tooze, S, Johansen, T, Razi, M, Nyoni, L, Joshi, D. | Deposit date: | 2018-10-22 | Release date: | 2019-05-08 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.07 Å) | Cite: | Molecular determinants regulating selective binding of autophagy adapters and receptors to ATG8 proteins. Nat Commun, 10, 2019
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8HCZ
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8HDF
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![BU of 8hdf by Molmil](/molmil-images/mine/8hdf) | Full length crystal structure of mycobacterium tuberculosis FadD23 in complex with ANP and PLM | Descriptor: | Long-chain-fatty-acid--AMP ligase FadD23, PALMITIC ACID, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER | Authors: | Yan, M.R, Liu, X, Zhang, W, Rao, Z.H. | Deposit date: | 2022-11-04 | Release date: | 2023-02-15 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.24 Å) | Cite: | The Key Roles of Mycobacterium tuberculosis FadD23 C-terminal Domain in Catalytic Mechanisms. Front Microbiol, 14, 2023
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8HD4
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![BU of 8hd4 by Molmil](/molmil-images/mine/8hd4) | Full-length crystal structure of mycobacterium tuberculosis FadD23 in complex with AMPC16 | Descriptor: | Long-chain-fatty-acid--AMP ligase FadD23, palmitoyl adenylate | Authors: | Yan, M.R, Liu, X, Zhang, W, Rao, Z.H. | Deposit date: | 2022-11-03 | Release date: | 2023-02-15 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.68 Å) | Cite: | The Key Roles of Mycobacterium tuberculosis FadD23 C-terminal Domain in Catalytic Mechanisms. Front Microbiol, 14, 2023
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3LTU
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![BU of 3ltu by Molmil](/molmil-images/mine/3ltu) | 5-SeMe-dU containing DNA 8mer | Descriptor: | 5'-D(*GP*(UMS)P*GP*(T5S)P*AP*CP*AP*C)-3' | Authors: | Sheng, J, Hassan, A.E.A, Zhang, W, Gan, J, Huang, Z. | Deposit date: | 2010-02-16 | Release date: | 2010-03-09 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Synthesis of Pyrimidine Modified Seleno-DNA as a Novel Approach to Antisense Candidate Chemistryselect, 8, 2023
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3LTR
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![BU of 3ltr by Molmil](/molmil-images/mine/3ltr) | 5-OMe-dU containing DNA 8mer | Descriptor: | 5'-D(*GP*(UMS)P*GP*(T5O)P*AP*CP*AP*C)-3', MAGNESIUM ION | Authors: | Sheng, J, Hassan, A.E.A, Zhang, W, Gan, J, Huang, Z. | Deposit date: | 2010-02-16 | Release date: | 2010-03-09 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Hydrogen bond formation between the naturally modified nucleobase and phosphate backbone. Nucleic Acids Res., 40, 2012
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1RQL
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![BU of 1rql by Molmil](/molmil-images/mine/1rql) | Crystal Structure of Phosponoacetaldehyde Hydrolase Complexed with Magnesium and the Inhibitor Vinyl Sulfonate | Descriptor: | MAGNESIUM ION, Phosphonoacetaldehyde Hydrolase, VINYLSULPHONIC ACID | Authors: | Morais, M.C, Zhang, G, Zhang, W, Olsen, D.B, Dunaway-Mariano, D, Allen, K.N. | Deposit date: | 2003-12-05 | Release date: | 2004-04-20 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | X-ray crystallographic and site-directed mutagenesis
analysis of the mechanism of Schiff-base formation in
phosphonoacetaldehyde hydrolase catalysis J.Biol.Chem., 279, 2004
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3O1U
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![BU of 3o1u by Molmil](/molmil-images/mine/3o1u) | Iron-Catalyzed Oxidation Intermediates Captured in A DNA Repair Dioxygenase | Descriptor: | Alpha-ketoglutarate-dependent dioxygenase AlkB, DNA (5'-D(*AP*AP*CP*GP*GP*TP*AP*TP*TP*AP*CP*CP*T)-3'), DNA (5'-D(*AP*GP*GP*TP*AP*AP*(MDV)P*AP*CP*CP*GP*T)-3'), ... | Authors: | Yi, C, Jia, G, Hou, G, Dai, Q, Zhang, W, Zheng, G, Jian, X, Yang, C.-G, Cui, Q, He, C. | Deposit date: | 2010-07-22 | Release date: | 2010-11-17 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | Iron-catalysed oxidation intermediates captured in a DNA repair dioxygenase. Nature, 468, 2010
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3O1M
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![BU of 3o1m by Molmil](/molmil-images/mine/3o1m) | Iron-Catalyzed Oxidation Intermediates Captured in A DNA Repair Dioxygenase | Descriptor: | 2-OXOGLUTARIC ACID, Alpha-ketoglutarate-dependent dioxygenase AlkB, DNA (5'-D(*AP*AP*CP*GP*GP*TP*AP*TP*TP*AP*CP*CP*T)-3'), ... | Authors: | Yi, C, Jia, G, Hou, G, Dai, Q, Zhang, W, Zheng, G, Jian, X, Yang, C.-G, Cui, Q, He, C. | Deposit date: | 2010-07-21 | Release date: | 2010-11-17 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Iron-catalysed oxidation intermediates captured in a DNA repair dioxygenase. Nature, 468, 2010
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3O1V
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![BU of 3o1v by Molmil](/molmil-images/mine/3o1v) | Iron-Catalyzed Oxidation Intermediates Captured in A DNA Repair Dioxygenase | Descriptor: | Alpha-ketoglutarate-dependent dioxygenase AlkB, DNA (5'-D(*AP*AP*CP*GP*GP*TP*AP*TP*TP*AP*CP*CP*T)-3'), DNA (5'-D(*AP*GP*GP*TP*AP*AP*(MDJ)P*AP*CP*CP*GP*T)-3'), ... | Authors: | Yi, C, Jia, G, Hou, G, Dai, Q, Zhang, W, Zheng, G, Jian, X, Yang, C.-G, Cui, Q, He, C. | Deposit date: | 2010-07-22 | Release date: | 2010-11-17 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Iron-catalysed oxidation intermediates captured in a DNA repair dioxygenase. Nature, 468, 2010
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3O1P
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![BU of 3o1p by Molmil](/molmil-images/mine/3o1p) | Iron-Catalyzed Oxidation Intermediates Captured in A DNA Repair Dioxygenase | Descriptor: | 2-OXOGLUTARIC ACID, Alpha-ketoglutarate-dependent dioxygenase AlkB, DNA (5'-D(*AP*AP*CP*GP*GP*TP*AP*TP*TP*AP*CP*CP*T)-3'), ... | Authors: | Yi, C, Jia, G, Hou, G, Dai, Q, Zhang, W, Zheng, G, Jian, X, Yang, C.-G, Cui, Q, He, C. | Deposit date: | 2010-07-21 | Release date: | 2010-11-17 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.51 Å) | Cite: | Iron-catalysed oxidation intermediates captured in a DNA repair dioxygenase. Nature, 468, 2010
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3O1R
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![BU of 3o1r by Molmil](/molmil-images/mine/3o1r) | Iron-Catalyzed Oxidation Intermediates Captured in A DNA Repair Dioxygenase | Descriptor: | 2-OXOGLUTARIC ACID, Alpha-ketoglutarate-dependent dioxygenase AlkB, DNA (5'-D(*AP*AP*CP*GP*GP*TP*AP*TP*TP*AP*CP*CP*T)-3'), ... | Authors: | Yi, C, Jia, G, Hou, G, Dai, Q, Zhang, W, Zheng, G, Jian, X, Yang, C.-G, Cui, Q, He, C. | Deposit date: | 2010-07-21 | Release date: | 2010-11-17 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | Iron-catalysed oxidation intermediates captured in a DNA repair dioxygenase. Nature, 468, 2010
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3NSS
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![BU of 3nss by Molmil](/molmil-images/mine/3nss) | The 2009 pandemic H1N1 neuraminidase N1 lacks the 150-cavity in its active sites | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, CALCIUM ION, ... | Authors: | Li, Q, Qi, J.X, Zhang, W, Vavricka, C.J, Shi, Y, Gao, G.F. | Deposit date: | 2010-07-02 | Release date: | 2010-09-22 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.902 Å) | Cite: | The 2009 pandemic H1N1 neuraminidase N1 lacks the 150-cavity in its active site Nat.Struct.Mol.Biol., 17, 2010
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1RQN
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![BU of 1rqn by Molmil](/molmil-images/mine/1rqn) | Phosphonoacetaldehyde hydrolase complexed with magnesium | Descriptor: | MAGNESIUM ION, Phosphonoacetaldehyde Hydrolase | Authors: | Morais, M.C, Zhang, G, Zhang, W, Olsen, D.B, Dunaway-Mariano, D, Allen, K.N. | Deposit date: | 2003-12-05 | Release date: | 2004-04-20 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | X-ray crystallographic and site-directed mutagenesis
analysis of the mechanism of Schiff-base formation in
phosphonoacetaldehyde hydrolase catalysis J.Biol.Chem., 279, 2004
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6HYL
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![BU of 6hyl by Molmil](/molmil-images/mine/6hyl) | Structure of PCM1 LIR motif bound to GABARAP | Descriptor: | Pericentriolar material 1 protein,Gamma-aminobutyric acid receptor-associated protein | Authors: | Mouilleron, S, Wirth, M, Zhang, W, O'Reilly, N, Tooze, S, Johansen, T, Razi, M, Nyoni, L, Joshi, D. | Deposit date: | 2018-10-22 | Release date: | 2019-05-08 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.559 Å) | Cite: | Molecular determinants regulating selective binding of autophagy adapters and receptors to ATG8 proteins. Nat Commun, 10, 2019
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