4EK8
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![BU of 4ek8 by Molmil](/molmil-images/mine/4ek8) | |
4EK5
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![BU of 4ek5 by Molmil](/molmil-images/mine/4ek5) | |
4EK4
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![BU of 4ek4 by Molmil](/molmil-images/mine/4ek4) | |
4EK6
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![BU of 4ek6 by Molmil](/molmil-images/mine/4ek6) | |
4EK3
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![BU of 4ek3 by Molmil](/molmil-images/mine/4ek3) | |
7KMU
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![BU of 7kmu by Molmil](/molmil-images/mine/7kmu) | Structure of WT Malaysian Banana Lectin | Descriptor: | 1,2-ETHANEDIOL, Jacalin-type lectin domain-containing protein | Authors: | Meagher, J.L, Stuckey, J.A. | Deposit date: | 2020-11-03 | Release date: | 2021-01-27 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.51 Å) | Cite: | Targeted disruption of pi-pi stacking in Malaysian banana lectin reduces mitogenicity while preserving antiviral activity. Sci Rep, 11, 2021
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6CJG
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![BU of 6cjg by Molmil](/molmil-images/mine/6cjg) | Human dihydroorotate dehydrogenase bound to napthyridine inhibitor 46 | Descriptor: | 2-([1,1'-biphenyl]-4-yl)-3-methyl-1,7-naphthyridine-4-carboxylic acid, 3-[decyl(dimethyl)ammonio]propane-1-sulfonate, Dihydroorotate dehydrogenase (quinone), ... | Authors: | Petrunak, E.M, Stuckey, J.A. | Deposit date: | 2018-02-26 | Release date: | 2018-05-23 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.851 Å) | Cite: | Design, Synthesis, and Biological Evaluation of 4-Quinoline Carboxylic Acids as Inhibitors of Dihydroorotate Dehydrogenase. J. Med. Chem., 61, 2018
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6CSD
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![BU of 6csd by Molmil](/molmil-images/mine/6csd) | V308E mutant of cytochrome P450 2D6 complexed with prinomastat | Descriptor: | 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, Cytochrome P450 2D6, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Yang, Y.T, Fujita, K, Wang, P.F, Im, S.C, Pearl, N.M, Meagher, J, Stuckey, J, Waskell, L. | Deposit date: | 2018-03-20 | Release date: | 2019-03-27 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.391 Å) | Cite: | Characteristic conformational changes on the distal and proximal surfaces of cytochrome P450 2D6 in response to substrate binding To Be Published
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6CSB
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![BU of 6csb by Molmil](/molmil-images/mine/6csb) | V308E mutant of cytochrome P450 2D6 complexed with thioridazine | Descriptor: | 10-{2-[(2R)-1-methylpiperidin-2-yl]ethyl}-2-(methylsulfanyl)-10H-phenothiazine, ACETATE ION, Cytochrome P450 2D6, ... | Authors: | Yang, Y.T, Fujita, K, Wang, P.F, Im, S.C, Pearl, N.M, Meagher, J, Stuckey, J, Waskell, L. | Deposit date: | 2018-03-20 | Release date: | 2019-03-27 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.394 Å) | Cite: | Characteristic conformational changes on the distal and proximal surfaces of cytochrome P450 2D6 in response to substrate binding To Be Published
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5U9U
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![BU of 5u9u by Molmil](/molmil-images/mine/5u9u) | De Novo Three-stranded Coiled Coil Peptide Containing a Tris-thiolate Site Engineered by D-Cysteine Ligands | Descriptor: | Apo-(CoilSer L16(DCY))3, CHLORIDE ION, POLYETHYLENE GLYCOL (N=34), ... | Authors: | Ruckthong, L, Stuckey, J.A, Pecoraro, V.L. | Deposit date: | 2016-12-18 | Release date: | 2017-04-26 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | d-Cysteine Ligands Control Metal Geometries within De Novo Designed Three-Stranded Coiled Coils. Chemistry, 23, 2017
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5U9T
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![BU of 5u9t by Molmil](/molmil-images/mine/5u9t) | The Tris-thiolate Zn(II)S3Cl Binding Site Engineered by D-Cysteine Ligands in de Novo Three-stranded Coiled Coil Environment | Descriptor: | ACETATE ION, CHLORIDE ION, POLYETHYLENE GLYCOL (N=34), ... | Authors: | Ruckthong, L, Peacock, A.F.A, Stuckey, J.A, Pecoraro, V.L. | Deposit date: | 2016-12-18 | Release date: | 2017-04-26 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | d-Cysteine Ligands Control Metal Geometries within De Novo Designed Three-Stranded Coiled Coils. Chemistry, 23, 2017
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4PKA
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![BU of 4pka by Molmil](/molmil-images/mine/4pka) | |
4PKB
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![BU of 4pkb by Molmil](/molmil-images/mine/4pkb) | |
4PK9
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![BU of 4pk9 by Molmil](/molmil-images/mine/4pk9) | |
6U9K
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![BU of 6u9k by Molmil](/molmil-images/mine/6u9k) | MLL1 SET N3861I/Q3867L bound to inhibitor 18 (TC-5153) | Descriptor: | 5'-([(3S)-3-amino-3-carboxypropyl]{[1-(3,3-diphenylpropyl)azetidin-3-yl]methyl}amino)-5'-deoxyadenosine, GLYCEROL, Histone-lysine N-methyltransferase, ... | Authors: | Petrunak, E.M, Stuckey, J.A. | Deposit date: | 2019-09-09 | Release date: | 2020-07-01 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Discovery of Potent Small-Molecule Inhibitors of MLL Methyltransferase. Acs Med.Chem.Lett., 11, 2020
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6U9N
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![BU of 6u9n by Molmil](/molmil-images/mine/6u9n) | MLL1 SET N3861I/Q3867L bound to inhibitor 14 (TC-5139) | Descriptor: | 5'-{[(3S)-3-amino-3-carboxypropyl]({1-[(4-chlorophenyl)methyl]azetidin-3-yl}methyl)amino}-5'-deoxyadenosine, Histone-lysine N-methyltransferase, ZINC ION | Authors: | Petrunak, E.M, Stuckey, J.A. | Deposit date: | 2019-09-09 | Release date: | 2020-07-01 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Discovery of Potent Small-Molecule Inhibitors of MLL Methyltransferase. Acs Med.Chem.Lett., 11, 2020
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6U9R
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![BU of 6u9r by Molmil](/molmil-images/mine/6u9r) | MLL1 SET N3861I/Q3867L bound to inhibitor 12 (TC-5140) | Descriptor: | 5'-{[(3S)-3-amino-3-carboxypropyl]({1-[(3-chlorophenyl)methyl]azetidin-3-yl}methyl)amino}-5'-deoxyadenosine, Histone-lysine N-methyltransferase, ZINC ION | Authors: | Petrunak, E.M, Stuckey, J.A. | Deposit date: | 2019-09-09 | Release date: | 2020-07-01 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Discovery of Potent Small-Molecule Inhibitors of MLL Methyltransferase. Acs Med.Chem.Lett., 11, 2020
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3SW4
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![BU of 3sw4 by Molmil](/molmil-images/mine/3sw4) | |
3SW7
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![BU of 3sw7 by Molmil](/molmil-images/mine/3sw7) | |
6V2R
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![BU of 6v2r by Molmil](/molmil-images/mine/6v2r) | Crystal Structure of chromodomain of CBX7 mutant V13A in complex with inhibitor UNC3866 | Descriptor: | Chromobox protein homolog 7, UNC3866, UNKNOWN ATOM OR ION | Authors: | Liu, Y, Tempel, W, Walker, J.R, Stuckey, J.I, Dickson, B.M, James, L.I, Frye, S.V, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | Deposit date: | 2019-11-25 | Release date: | 2019-12-25 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structural Basis for the Binding Selectivity of Human CDY Chromodomains. Cell Chem Biol, 27, 2020
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4PG1
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![BU of 4pg1 by Molmil](/molmil-images/mine/4pg1) | Insights into Substrate and Metal Binding from the Crystal Structure of Cyanobacterial Aldehyde Deformylating Oxygenase with Substrate Bound | Descriptor: | (1S,2S)-2-nonylcyclopropanecarboxylic acid, Aldehyde decarbonylase, DIMETHYL SULFOXIDE, ... | Authors: | Buer, B.C, Paul, B, Das, D, Stuckey, J.A, Marsh, E.N.G. | Deposit date: | 2014-05-01 | Release date: | 2014-11-19 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Insights into substrate and metal binding from the crystal structure of cyanobacterial aldehyde deformylating oxygenase with substrate bound. Acs Chem.Biol., 9, 2014
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4PGI
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![BU of 4pgi by Molmil](/molmil-images/mine/4pgi) | Insights into Substrate and Metal Binding from the Crystal Structure of Cyanobacterial Aldehyde Deformylating Oxygenase with Substrate Analogs Bound | Descriptor: | 1,2-ETHANEDIOL, 11-[2-(2-ethoxyethoxy)ethoxy]undecanal, Aldehyde decarbonylase, ... | Authors: | Buer, B.C, Paul, B, Das, D, Stuckey, J.A, Marsh, E.N.G. | Deposit date: | 2014-05-02 | Release date: | 2015-02-11 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.08 Å) | Cite: | Insights into substrate and metal binding from the crystal structure of cyanobacterial aldehyde deformylating oxygenase with substrate bound. Acs Chem.Biol., 9, 2014
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4PGK
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![BU of 4pgk by Molmil](/molmil-images/mine/4pgk) | Insights into Substrate and Metal Binding from the Crystal Structure of Cyanobacterial Aldehyde Deformylating Oxygenase with Substrate Bound | Descriptor: | 11-[2-(2-ethoxyethoxy)ethoxy]undecanal, Aldehyde decarbonylase, FE (III) ION | Authors: | Buer, B.C, Paul, B, Das, D, Stuckey, J.A, Marsh, E.N.G. | Deposit date: | 2014-05-02 | Release date: | 2014-12-24 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.17 Å) | Cite: | Insights into substrate and metal binding from the crystal structure of cyanobacterial aldehyde deformylating oxygenase with substrate bound. Acs Chem.Biol., 9, 2014
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4PG0
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![BU of 4pg0 by Molmil](/molmil-images/mine/4pg0) | Insights into Substrate and Metal Binding from the Crystal Structure of Cyanobacterial Aldehyde Deformylating Oxygenase with Substrate Bound | Descriptor: | (1S,2S)-2-nonylcyclopropanecarboxylic acid, Aldehyde decarbonylase, DIMETHYL SULFOXIDE, ... | Authors: | Buer, B.C, Paul, B, Das, D, Stuckey, J.A, Marsh, E.N.G. | Deposit date: | 2014-05-01 | Release date: | 2014-11-26 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Insights into substrate and metal binding from the crystal structure of cyanobacterial aldehyde deformylating oxygenase with substrate bound. Acs Chem.Biol., 9, 2014
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4YOE
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![BU of 4yoe by Molmil](/molmil-images/mine/4yoe) | Structure of UP1 bound to RNA 5'-AGU-3' | Descriptor: | ACETATE ION, Heterogeneous nuclear ribonucleoprotein A1, RNA AGU, ... | Authors: | Meagher, J.L, Stuckey, J.A. | Deposit date: | 2015-03-11 | Release date: | 2015-06-10 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | The First Crystal Structure of the UP1 Domain of hnRNP A1 Bound to RNA Reveals a New Look for an Old RNA Binding Protein. J.Mol.Biol., 427, 2015
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