6DTT
 
 | | Apo T. maritima MalE2 | | Descriptor: | maltose-binding protein MalE2 | | Authors: | Cuneo, M.J, Shukla, S. | | Deposit date: | 2018-06-18 | | Release date: | 2018-09-19 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Differential Substrate Recognition by Maltose Binding Proteins Influenced by Structure and Dynamics.
Biochemistry, 57, 2018
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8DHD
 | | Neutron crystal structure of maltotetraose bound tmMBP | | Descriptor: | alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, maltose-binding protein MalE2 | | Authors: | Cuneo, M.J, Shukla, S, Myles, D.A. | | Deposit date: | 2022-06-27 | | Release date: | 2022-10-12 | | Last modified: | 2023-10-25 | | Method: | NEUTRON DIFFRACTION (1.7 Å), X-RAY DIFFRACTION | | Cite: | Mapping periplasmic binding protein oligosaccharide recognition with neutron crystallography.
Sci Rep, 12, 2022
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6DTQ
 | | Maltose bound T. maritima MalE3 | | Descriptor: | MAGNESIUM ION, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, maltose-binding protein MalE3 | | Authors: | Cuneo, M.J, Shukla, S. | | Deposit date: | 2018-06-18 | | Release date: | 2018-09-19 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Differential Substrate Recognition by Maltose Binding Proteins Influenced by Structure and Dynamics.
Biochemistry, 57, 2018
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6DTS
 | | Maltotetraose bound T. maritima MalE2 | | Descriptor: | alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, maltose-binding protein MalE2 | | Authors: | Cuneo, M.J, Shukla, S. | | Deposit date: | 2018-06-18 | | Release date: | 2018-09-19 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Differential Substrate Recognition by Maltose Binding Proteins Influenced by Structure and Dynamics.
Biochemistry, 57, 2018
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6DTR
 | | Apo T. maritima MalE3 | | Descriptor: | SULFATE ION, maltose-binding protein MalE3 | | Authors: | Cuneo, M.J, Shukla, S. | | Deposit date: | 2018-06-18 | | Release date: | 2018-09-19 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.301 Å) | | Cite: | Differential Substrate Recognition by Maltose Binding Proteins Influenced by Structure and Dynamics.
Biochemistry, 57, 2018
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6DTU
 | | Maltotetraose bound T. maritima MalE1 | | Descriptor: | alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, maltose-binding protein MalE1 | | Authors: | Cuneo, M.J, Shukla, S. | | Deposit date: | 2018-06-18 | | Release date: | 2018-09-19 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Differential Substrate Recognition by Maltose Binding Proteins Influenced by Structure and Dynamics.
Biochemistry, 57, 2018
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5VNQ
 | | Neutron crystallographic structure of perdeuterated T4 lysozyme cysteine-free pseudo-wild type at cryogenic temperature | | Descriptor: | CHLORIDE ION, Endolysin | | Authors: | Li, L, Shukla, S, Meilleur, F, Standaert, R.F, Pierce, J, Myles, D.A.A, Cuneo, M.J. | | Deposit date: | 2017-05-01 | | Release date: | 2017-07-26 | | Last modified: | 2023-10-04 | | Method: | NEUTRON DIFFRACTION (2.2 Å) | | Cite: | Neutron crystallographic studies of T4 lysozyme at cryogenic temperature.
Protein Sci., 26, 2017
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5VNR
 | | X-ray structure of perdeuterated T4 lysozyme cysteine-free pseudo-wild type at cryogenic temperature | | Descriptor: | 2-HYDROXYETHYL DISULFIDE, CHLORIDE ION, Endolysin, ... | | Authors: | Li, L, Shukla, S, Meilleur, F, Standaert, R.F, Pierce, J, Myles, D.A.A, Cuneo, M.J. | | Deposit date: | 2017-05-01 | | Release date: | 2017-07-26 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.631 Å) | | Cite: | Neutron crystallographic studies of T4 lysozyme at cryogenic temperature.
Protein Sci., 26, 2017
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6SGP
 | | X-ray structure of human glutamate carboxypeptidase II (GCPII) - the E424M inactive mutant, in complex with a sulfamide inhibitor GluGlu | | Descriptor: | (2~{S})-2-[[(2~{S})-1,5-bis(oxidanyl)-1,5-bis(oxidanylidene)pentan-2-yl]sulfamoylamino]pentanedioic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Barinka, C, Shukla, S, Motlova, L. | | Deposit date: | 2019-08-05 | | 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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7ND1
 | | First-in-class small molecule inhibitors of Polycomb Repressive Complex 1 (PRC1) RING domain | | Descriptor: | 3-(2-chlorophenyl)-4-ethyl-5-(1~{H}-indol-4-yl)-1~{H}-pyrrole-2-carboxylic acid, E3 ubiquitin-protein ligase RING2, Polycomb complex protein BMI-1, ... | | Authors: | Cierpicki, T, Lund, G, Jaremko, L. | | Deposit date: | 2021-01-29 | | Release date: | 2021-06-16 | | Last modified: | 2021-07-07 | | Method: | SOLUTION NMR | | Cite: | Small-molecule inhibitors targeting Polycomb repressive complex 1 RING domain.
Nat.Chem.Biol., 17, 2021
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6WI7
 | | RING1B-BMI1 fusion in closed conformation | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, E3 ubiquitin-protein ligase RING2, Polycomb complex protein BMI-1 chimera, ... | | Authors: | Cho, H.J, Cierpicki, T. | | Deposit date: | 2020-04-08 | | Release date: | 2021-04-14 | | Last modified: | 2021-10-27 | | Method: | X-RAY DIFFRACTION (1.702 Å) | | Cite: | Small-molecule inhibitors targeting Polycomb repressive complex 1 RING domain.
Nat.Chem.Biol., 17, 2021
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6WI8
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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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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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5KPJ
 | | Mouse pgp methylated protein | | 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 (3.5 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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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: | 2023-06-14 | | Method: | SOLUTION NMR | | Cite: | BMI1 regulates PRC1 architecture and activity through homo- and hetero-oligomerization.
Nat Commun, 7, 2016
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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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