6KQQ
| NSD1 SET domain in complex with BT3 and SAM | Descriptor: | 2-azanyl-6-[(2-azanyl-4-oxidanyl-1,3-benzothiazol-6-yl)disulfanyl]-1,3-benzothiazol-4-ol, 2-azanyl-6-sulfanyl-1,3-benzothiazol-4-ol, CALCIUM ION, ... | Authors: | Cho, H.J, Cierpicki, T. | Deposit date: | 2019-08-18 | Release date: | 2020-09-02 | Last modified: | 2024-10-09 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Covalent inhibition of NSD1 histone methyltransferase. Nat.Chem.Biol., 16, 2020
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6KQP
| NSD1 SET domain in complex with SAM | Descriptor: | Histone-lysine N-methyltransferase, H3 lysine-36 and H4 lysine-20 specific, S-ADENOSYLMETHIONINE, ... | Authors: | Cho, H.J, Cierpicki, T. | Deposit date: | 2019-08-18 | Release date: | 2020-09-02 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Covalent inhibition of NSD1 histone methyltransferase. Nat.Chem.Biol., 16, 2020
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6RTI
| X-ray structure of human glutamate carboxypeptidase II (GCPII) in complex with aptamer A9g | Descriptor: | (2S)-2-(PHOSPHONOMETHYL)PENTANEDIOIC ACID, (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Motlova, L, Kolenko, P, Barinka, C. | Deposit date: | 2019-05-24 | Release date: | 2020-06-10 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural basis of prostate-specific membrane antigen recognition by the A9g RNA aptamer. Nucleic Acids Res., 48, 2020
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2NA1
| ULD complex | Descriptor: | Polycomb complex protein BMI-1, Polyhomeotic-like 2 | Authors: | Cierpicki, T, Gray, F, Cho, H. | Deposit date: | 2015-12-17 | Release date: | 2016-11-16 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | BMI1 regulates PRC1 architecture and activity through homo- and hetero-oligomerization. Nat Commun, 7, 2016
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2Q8X
| The high-resolution crystal structure of ixt6, a thermophilic, intracellular xylanase from G. stearothermophilus | Descriptor: | GLYCEROL, SODIUM ION, intra-cellular xylanase | Authors: | Solomon, V, Teplitsky, A, Gilboa, R, Zolotnitsky, G, Golan, G, Reiland, V, Moryles, S, Shoham, Y, Shoham, G. | Deposit date: | 2007-06-12 | Release date: | 2008-05-20 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Structure-specificity relationships of an intracellular xylanase from Geobacillus stearothermophilus Acta Crystallogr.,Sect.D, 63, 2007
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5JUE
| Crystal Structure of UIC2 Fab | Descriptor: | GLYCEROL, heavy chain of UIC2 Fab, light chain of UIC2 Fab | Authors: | Xia, D, Esser, L. | Deposit date: | 2016-05-10 | Release date: | 2016-08-31 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Crystal structure of the antigen-binding fragment of a monoclonal antibody specific for the multidrug-resistance-linked ABC transporter human P-glycoprotein. Acta Crystallogr.,Sect.F, 72, 2016
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5KO2
| Mouse pgp 34 linker deleted mutant Hg derivative | Descriptor: | MERCURY (II) ION, Multidrug resistance protein 1A | Authors: | Xia, D, Esser, L, Zhou, F. | Deposit date: | 2016-06-29 | Release date: | 2016-11-30 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Structures of the Multidrug Transporter P-glycoprotein Reveal Asymmetric ATP Binding and the Mechanism of Polyspecificity. J. Biol. Chem., 292, 2017
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5KOY
| Mouse pgp 34 linker deleted bound with ATP | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Multidrug resistance protein 1A | Authors: | Xia, D, Esser, L, Zhou, F. | Deposit date: | 2016-07-01 | Release date: | 2016-12-14 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3.85 Å) | Cite: | Structures of the Multidrug Transporter P-glycoprotein Reveal Asymmetric ATP Binding and the Mechanism of Polyspecificity. J. Biol. Chem., 292, 2017
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5KPD
| Mouse pgp 34 linker deleted double EQ mutant | Descriptor: | Multidrug resistance protein 1A | Authors: | Xia, D, Esser, L, Zhou, F. | Deposit date: | 2016-07-03 | Release date: | 2016-11-30 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3.35 Å) | Cite: | Structures of the Multidrug Transporter P-glycoprotein Reveal Asymmetric ATP Binding and the Mechanism of Polyspecificity. J. Biol. Chem., 292, 2017
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5KPI
| Mouse native PGP | Descriptor: | Multidrug resistance protein 1A | Authors: | Xia, D, Esser, L, Zhou, F. | Deposit date: | 2016-07-04 | Release date: | 2016-11-30 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (4.01 Å) | Cite: | Structures of the Multidrug Transporter P-glycoprotein Reveal Asymmetric ATP Binding and the Mechanism of Polyspecificity. J. Biol. Chem., 292, 2017
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6DFP
| Crystal Structure of a Tripartite Toxin Component VCA0883 from Vibrio cholerae | Descriptor: | VCA0883 | Authors: | Kim, Y, Maltseva, N, Endres, M, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2018-05-15 | Release date: | 2018-05-23 | Last modified: | 2022-07-13 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | A Genomic Island of Vibrio cholerae Encodes a Three-Component Cytotoxin with Monomer and Protomer Forms Structurally Similar to Alpha-Pore-Forming Toxins. J.Bacteriol., 204, 2022
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4XQ0
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5X79
| Human GST Pi conjugated with novel inhibitor, GS-ESF | Descriptor: | (2S)-2-azanyl-5-[[(2R)-3-(2-fluorosulfonylethylsulfanyl)-1-(2-hydroxy-2-oxoethylamino)-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Glutathione S-transferase P | Authors: | Tomoike, F, Shishido, Y, Fukui, K, Kimura, Y, Abe, H. | Deposit date: | 2017-02-24 | Release date: | 2017-09-13 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | A covalent G-site inhibitor for glutathione S-transferase Pi (GSTP1-1). Chem. Commun. (Camb.), 53, 2017
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4XPZ
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6SKH
| X-ray structure of human glutamate carboxypeptidase II (GCPII) - the E424M inactive mutant, in complex with a inhibitor sulfamide inhibitor GluAsp | Descriptor: | (2~{S})-2-[[(2~{S})-1,4-bis(oxidanyl)-1,4-bis(oxidanylidene)butan-2-yl]sulfamoylamino]pentanedioic acid, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Motlova, L, Novakova, Z, Barinka, C. | Deposit date: | 2019-08-15 | Release date: | 2020-08-26 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | Structural, Biochemical, and Computational Characterization of Sulfamides as Bimetallic Peptidase Inhibitors. J.Chem.Inf.Model., 2024
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3EF0
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5DB0
| Menin in complex with MI-352 | Descriptor: | 1-[(2R)-2,3-dihydroxypropyl]-5-[(4-{[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino}piperidin-1-yl)methyl]-1H-indole-2-carbonitrile, 1-[(2S)-2,3-dihydroxypropyl]-5-[(4-{[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino}piperidin-1-yl)methyl]-1 H-indole-2-carbonitrile, DIMETHYL SULFOXIDE, ... | Authors: | Pollock, J, Dmitry, B, Cierpicki, T, Grembecka, J. | Deposit date: | 2015-08-20 | Release date: | 2016-03-30 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Property Focused Structure-Based Optimization of Small Molecule Inhibitors of the Protein-Protein Interaction between Menin and Mixed Lineage Leukemia (MLL). J.Med.Chem., 59, 2016
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5DB3
| Menin in complex with MI-574 | Descriptor: | 6-methoxy-4-methyl-1-(1H-pyrazol-4-ylmethyl)-5-[(4-{[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino}piperidin-1-yl)methyl]-1H-indole-2-carbonitrile, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ... | Authors: | Pollock, J, Borkin, D, Cierpicki, T, Grembecka, J. | Deposit date: | 2015-08-20 | Release date: | 2016-03-30 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.71 Å) | Cite: | Property Focused Structure-Based Optimization of Small Molecule Inhibitors of the Protein-Protein Interaction between Menin and Mixed Lineage Leukemia (MLL). J.Med.Chem., 59, 2016
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5DB2
| Menin in complex with MI-389 | Descriptor: | 2-{2-cyano-5-[(4-{[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino}piperidin-1-yl)methyl]-1H-indol-1-yl}aceta mide, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ... | Authors: | Pollock, J, Dmitry, B, Cierpicki, T, Grembecka, J. | Deposit date: | 2015-08-20 | Release date: | 2016-03-30 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | Property Focused Structure-Based Optimization of Small Molecule Inhibitors of the Protein-Protein Interaction between Menin and Mixed Lineage Leukemia (MLL). J.Med.Chem., 59, 2016
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5DB1
| Menin in complex with MI-336 | Descriptor: | 6-methoxy-5-[(4-{[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino}piperidin-1-yl)methyl]-1H-indole-2-carbonitrile, DIMETHYL SULFOXIDE, Menin, ... | Authors: | Pollock, J, Dmitry, B, Cierpicki, T, Grembecka, J. | Deposit date: | 2015-08-20 | Release date: | 2016-03-30 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Property Focused Structure-Based Optimization of Small Molecule Inhibitors of the Protein-Protein Interaction between Menin and Mixed Lineage Leukemia (MLL). J.Med.Chem., 59, 2016
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3EF1
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6W08
| Crystal Structure of Motility Associated Killing Factor E from Vibrio cholerae | Descriptor: | 1,2-ETHANEDIOL, ACETIC ACID, CHLORIDE ION, ... | Authors: | Kim, Y, Jedrzejczak, R, Joachimiak, G, Endres, M, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2020-02-29 | Release date: | 2020-03-11 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | A Genomic Island of Vibrio cholerae Encodes a Three-Component Cytotoxin with Monomer and Protomer Forms Structurally Similar to Alpha-Pore-Forming Toxins. J.Bacteriol., 204, 2022
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6W1W
| Crystal Structure of Motility Associated Killing Factor B from Vibrio cholerae | Descriptor: | 1,2-ETHANEDIOL, motility-associated killing factor MakB | Authors: | Kim, Y, Welk, L, Jedrzejczak, R, Endres, M, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2020-03-04 | Release date: | 2020-03-25 | Last modified: | 2022-07-13 | Method: | X-RAY DIFFRACTION (2.58 Å) | Cite: | A Genomic Island of Vibrio cholerae Encodes a Three-Component Cytotoxin with Monomer and Protomer Forms Structurally Similar to Alpha-Pore-Forming Toxins. J.Bacteriol., 204, 2022
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5TT6
| T4 RNA Ligase 1 (K99M) | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, T4 RNA ligase 1 | Authors: | Goldgur, Y, Unciuleac, M.-C, Shuman, S.H. | Deposit date: | 2016-11-01 | Release date: | 2017-03-08 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.187 Å) | Cite: | Two-metal versus one-metal mechanisms of lysine adenylylation by ATP-dependent and NAD(+)-dependent polynucleotide ligases. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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5TT5
| Escherichia coli LigA (K115M) in complex with NAD+ | Descriptor: | DNA ligase, MAGNESIUM ION, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | Authors: | Goldgur, Y, Unciuleac, M.-C, Shuman, S.H. | Deposit date: | 2016-11-01 | Release date: | 2017-03-08 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.552 Å) | Cite: | Two-metal versus one-metal mechanisms of lysine adenylylation by ATP-dependent and NAD(+)-dependent polynucleotide ligases. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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