6MX8
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![BU of 6mx8 by Molmil](/molmil-images/mine/6mx8) | Crystal structure of anaplastic lymphoma kinase (ALK) bound by Brigatinib | Descriptor: | 5-chloro-N~4~-[2-(dimethylphosphoryl)phenyl]-N~2~-{2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl}pyrimidine-2,4-diamine, ALK tyrosine kinase receptor | Authors: | Dougan, D.R, Zhou, T. | Deposit date: | 2018-10-30 | Release date: | 2018-12-12 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Discovery of Brigatinib (AP26113), a Phosphine Oxide-Containing, Potent, Orally Active Inhibitor of Anaplastic Lymphoma Kinase. J. Med. Chem., 59, 2016
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7EKA
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![BU of 7eka by Molmil](/molmil-images/mine/7eka) | crystal structure of epigallocatechin binding with alpha-lactalbumin | Descriptor: | 2-(3,4,5-TRIHYDROXY-PHENYL)-CHROMAN-3,5,7-TRIOL, Alpha-lactalbumin | Authors: | Ma, J, Yao, Q, Chen, X, Zang, J. | Deposit date: | 2021-04-05 | Release date: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Weak Binding of Epigallocatechin to alpha-Lactalbumin Greatly Improves Its Stability and Uptake by Caco-2 Cells. J.Agric.Food Chem., 69, 2021
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1A0I
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![BU of 1a0i by Molmil](/molmil-images/mine/1a0i) | ATP-DEPENDENT DNA LIGASE FROM BACTERIOPHAGE T7 COMPLEX WITH ATP | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, DNA LIGASE | Authors: | Subramanya, H.S, Doherty, A.J, Ashford, S.R, Wigley, D.B. | Deposit date: | 1997-12-01 | Release date: | 1998-03-25 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Crystal structure of an ATP-dependent DNA ligase from bacteriophage T7. Cell(Cambridge,Mass.), 85, 1996
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2V7B
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![BU of 2v7b by Molmil](/molmil-images/mine/2v7b) | |
3V8J
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2E2R
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![BU of 2e2r by Molmil](/molmil-images/mine/2e2r) | Crystal structure of human estrogen-related receptor gamma ligand binding domain complex with bisphenol A | Descriptor: | 4,4'-PROPANE-2,2-DIYLDIPHENOL, Estrogen-related receptor gamma, GLYCEROL | Authors: | Matsushima, A, Kakuta, Y, Teramoto, T, Koshiba, T, Kimura, M, Shimohigashi, Y. | Deposit date: | 2006-11-16 | Release date: | 2007-09-11 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structural Evidence for Endocrine Disruptor Bisphenol A Binding to Human Nuclear Receptor ERR{gamma} J.Biochem.(Tokyo), 142, 2007
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2HVS
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![BU of 2hvs by Molmil](/molmil-images/mine/2hvs) | Structure of T4 RNA Ligase 2 with Nicked 5'-Adenylated nucleic acid duplex containing a 2'-deoxyribonucleotide at the nick | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5'-D(*AP*TP*TP*CP*CP*GP*AP*TP*AP*GP*TP*GP*GP*GP*GP*TP*CP*GP*CP*AP*AP*TP*TP*G)-3', 5'-D(*CP*AP*AP*TP*TP*GP*CP*GP*AP*C)-R(P*(OMC)P*C)-3', ... | Authors: | Nandakumar, J, Lima, C.D. | Deposit date: | 2006-07-30 | Release date: | 2006-10-17 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | RNA Ligase Structures Reveal the Basis for RNA Specificity and Conformational Changes that Drive Ligation Forward. Cell(Cambridge,Mass.), 127, 2006
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2HVR
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![BU of 2hvr by Molmil](/molmil-images/mine/2hvr) | Structure of T4 RNA Ligase 2 with Nicked 5'-Adenylated nucleic acid duplex containing a 3'-deoxyribonucleotide at the nick | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5'-D(*AP*TP*TP*CP*CP*GP*AP*TP*AP*GP*TP*GP*GP*GP*GP*TP*CP*GP*CP*AP*AP*TP*TP*G)-3', 5'-D(*CP*AP*AP*TP*TP*GP*CP*GP*AP*C)-R(P*(OMC)P*C)-3', ... | Authors: | Nandakumar, J, Lima, C.D. | Deposit date: | 2006-07-30 | Release date: | 2006-10-17 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | RNA Ligase Structures Reveal the Basis for RNA Specificity and Conformational Changes that Drive Ligation Forward. Cell(Cambridge,Mass.), 127, 2006
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4ISJ
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![BU of 4isj by Molmil](/molmil-images/mine/4isj) | RNA Ligase RtcB in complex with Mn(II) | Descriptor: | MANGANESE (II) ION, SULFATE ION, beta-D-fructofuranose-(2-1)-alpha-D-glucopyranose, ... | Authors: | Desai, K.K, Bingman, C.A, Phillips Jr, G.N, Raines, R.T. | Deposit date: | 2013-01-16 | Release date: | 2013-03-20 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.344 Å) | Cite: | Structures of the Noncanonical RNA Ligase RtcB Reveal the Mechanism of Histidine Guanylylation. Biochemistry, 52, 2013
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4IT0
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![BU of 4it0 by Molmil](/molmil-images/mine/4it0) | Structure of the RNA ligase RtcB-GMP/Mn(II) complex | Descriptor: | GUANOSINE-5'-MONOPHOSPHATE, MANGANESE (II) ION, SULFATE ION, ... | Authors: | Desai, K.K, Bingman, C.A, Phillips Jr, G.N, Raines, R.T. | Deposit date: | 2013-01-17 | Release date: | 2013-03-20 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structures of the Noncanonical RNA Ligase RtcB Reveal the Mechanism of Histidine Guanylylation. Biochemistry, 52, 2013
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4ISZ
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![BU of 4isz by Molmil](/molmil-images/mine/4isz) | RNA ligase RtcB in complex with GTP alphaS and Mn(II) | Descriptor: | GUANOSINE-5'-RP-ALPHA-THIO-TRIPHOSPHATE, MANGANESE (II) ION, SULFATE ION, ... | Authors: | Desai, K.K, Bingman, C.A, Phillips Jr, G.N, Raines, R.T. | Deposit date: | 2013-01-17 | Release date: | 2013-04-10 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.303 Å) | Cite: | Structures of the Noncanonical RNA Ligase RtcB Reveal the Mechanism of Histidine Guanylylation. Biochemistry, 52, 2013
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7F5P
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![BU of 7f5p by Molmil](/molmil-images/mine/7f5p) | The crystal structure of VyPAL2-C214A, a dead mutant of VyPAL2 peptide asparaginyl ligase in form I | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Peptide Asparaginyl Ligases, alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]alpha-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Hu, S, Sahili, A, Lescar, J. | Deposit date: | 2021-06-22 | Release date: | 2022-06-29 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural basis for proenzyme maturation, substrate recognition, and ligation by a hyperactive peptide asparaginyl ligase. Plant Cell, 34, 2022
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7F5J
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![BU of 7f5j by Molmil](/molmil-images/mine/7f5j) | The crystal structure of VyPAL2-I244V, a more efficient mutant of VyPAL2 peptide asparaginyl ligase in its active enzyme form | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Hu, S, Sahili, A, Lescar, J. | Deposit date: | 2021-06-22 | Release date: | 2022-06-29 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.593 Å) | Cite: | Structural basis for proenzyme maturation, substrate recognition, and ligation by a hyperactive peptide asparaginyl ligase. Plant Cell, 34, 2022
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7FA0
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![BU of 7fa0 by Molmil](/molmil-images/mine/7fa0) | The crystal structure of VyPAL2-C214A, a dead mutant of VyPAL2 peptide asparaginyl ligase in form II | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Peptide Asparaginyl Ligases, ... | Authors: | Hu, S, Sahili, A, Lescar, J. | Deposit date: | 2021-07-05 | Release date: | 2022-07-13 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural basis for proenzyme maturation, substrate recognition, and ligation by a hyperactive peptide asparaginyl ligase. Plant Cell, 34, 2022
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4CAV
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![BU of 4cav by Molmil](/molmil-images/mine/4cav) | Crystal structure of Aspergillus fumigatus N-myristoyl transferase in complex with myristoyl CoA and a benzofuran ligand R0-09-4879 | Descriptor: | 3-[[3-methyl-2-[[2,3,4-tris(fluoranyl)phenoxy]methyl]-1-benzofuran-4-yl]oxy]-N-(pyridin-3-ylmethyl)propan-1-amine, CHLORIDE ION, GLYCYLPEPTIDE N-TETRADECANOYLTRANSFERASE, ... | Authors: | Robinson, D.A, Fang, W, Raimi, O.G, Blair, D.E, Harrison, J, Ruda, G.F, Lockhart, D.E.A, Torrie, L.S, Wyatt, P.G, Gilbert, I.H, Van Aalten, D.M.F. | Deposit date: | 2013-10-09 | Release date: | 2014-09-17 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | N-Myristoyltransferase is a Cell Wall Target in Aspergillus Fumigatus. Acs Chem.Biol., 10, 2015
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1QNL
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4CAX
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![BU of 4cax by Molmil](/molmil-images/mine/4cax) | Crystal structure of Aspergillus fumigatus N-myristoyl transferase in complex with myristoyl CoA and a pyrazole sulphonamide ligand (DDD85646) | Descriptor: | 2,6-dichloro-4-(2-piperazin-1-ylpyridin-4-yl)-N-(1,3,5-trimethyl-1H-pyrazol-4-yl)benzenesulfonamide, GLYCYLPEPTIDE N-TETRADECANOYLTRANSFERASE, TETRADECANOYL-COA | Authors: | Raimi, O.G, Robinson, D.A, Fang, W, Blair, D.E, Harrison, J, Ruda, G.F, Lockhart, D.E.A, Torrie, L.S, Wyatt, P.G, Gilbert, I.H, Van Aalten, D.M.F. | Deposit date: | 2013-10-09 | Release date: | 2014-09-17 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | N-Myristoyltransferase is a Cell Wall Target in Aspergillus Fumigatus. Acs Chem.Biol., 10, 2015
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5XMC
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2RNN
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![BU of 2rnn by Molmil](/molmil-images/mine/2rnn) | |
5O2E
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![BU of 5o2e by Molmil](/molmil-images/mine/5o2e) | Crystal structure of NDM-1 in complex with hydrolyzed cefuroxime - new refinement | Descriptor: | (2R,5S)-5-[(carbamoyloxy)methyl]-2-[(R)-carboxy{[(2Z)-2-(furan-2-yl)-2-(methoxyimino)acetyl]amino}methyl]-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid, Metallo-beta-lactamase type 2, SULFATE ION, ... | Authors: | Raczynska, J.E, Shabalin, I.G, Jaskolski, M, Minor, W, Wlodawer, A. | Deposit date: | 2017-05-20 | Release date: | 2018-12-26 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | A close look onto structural models and primary ligands of metallo-beta-lactamases. Drug Resist. Updat., 40, 2018
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2PVP
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![BU of 2pvp by Molmil](/molmil-images/mine/2pvp) | |
7JT8
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![BU of 7jt8 by Molmil](/molmil-images/mine/7jt8) | Apo structure of a pseudomurein peptide ligase type E from Methanothermus fervidus | Descriptor: | MAGNESIUM ION, Mur ligase middle domain protein, SULFATE ION | Authors: | Carbone, V, Schofield, L.R, Sutherland-Smith, A.J, Ronimus, R.S, Subedi, B.P. | Deposit date: | 2020-08-17 | Release date: | 2021-09-01 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | Structural characterisation of methanogen pseudomurein cell wall peptide ligases homologous to bacterial MurE/F murein peptide ligases. Microbiology (Reading, Engl.), 168, 2022
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7KR3
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7KR4
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7NS4
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![BU of 7ns4 by Molmil](/molmil-images/mine/7ns4) | Catalytic module of yeast Chelator-GID SR4 E3 ubiquitin ligase | Descriptor: | E3 ubiquitin-protein ligase RMD5, Protein FYV10, ZINC ION | Authors: | Sherpa, D, Chrustowicz, J, Prabu, J.R, Schulman, B.A. | Deposit date: | 2021-03-05 | Release date: | 2021-05-05 | Last modified: | 2024-07-10 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | GID E3 ligase supramolecular chelate assembly configures multipronged ubiquitin targeting of an oligomeric metabolic enzyme. Mol.Cell, 81, 2021
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