6VJC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6vjc by Molmil](/molmil-images/mine/6vjc) | LmFPPS mutant T164Y in complex with 476A, IPP & Ca | Descriptor: | 3-butyl-1-(2,2-diphosphonoethyl)pyridinium, ACETATE ION, CALCIUM ION, ... | Authors: | Maheshwari, S, Kim, Y.S, Aripirala, S, Gabelli, S.B. | Deposit date: | 2020-01-15 | Release date: | 2020-11-25 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Identifying Structural Determinants of Product Specificity in Leishmania major Farnesyl Diphosphate Synthase. Biochemistry, 59, 2020
|
|
6W7I
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6w7i by Molmil](/molmil-images/mine/6w7i) | LmFPPS mutant T164W in complex with 476A, IPP & Ca | Descriptor: | 3-butyl-1-(2,2-diphosphonoethyl)pyridinium, ACETATE ION, CALCIUM ION, ... | Authors: | Maheshwari, S, Kim, Y.S, Aripirala, S, Gabelli, S.B. | Deposit date: | 2020-03-19 | Release date: | 2020-10-07 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Identifying Structural Determinants of Product Specificity in Leishmania major Farnesyl Diphosphate Synthase. Biochemistry, 59, 2020
|
|
6WW1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ww1 by Molmil](/molmil-images/mine/6ww1) | Crystal structure of the LmFPPS mutant E97Y | Descriptor: | 3-butyl-1-(2,2-diphosphonoethyl)pyridinium, ACETATE ION, CALCIUM ION, ... | Authors: | Maheshwari, S, Kim, Y.S, Gabelli, S.B. | Deposit date: | 2020-05-07 | Release date: | 2020-10-07 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Identifying Structural Determinants of Product Specificity in Leishmania major Farnesyl Diphosphate Synthase. Biochemistry, 59, 2020
|
|
6AY0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ay0 by Molmil](/molmil-images/mine/6ay0) | Crystal structure of H108A peptidylglycine alpha-hydroxylating monooxygenase (PHM) soaked with peptide | Descriptor: | COPPER (II) ION, Peptidyl-glycine alpha-amidating monooxygenase | Authors: | Maheshwari, S, Rudzka, K, Gabelli, S.B, Amzel, L.M. | Deposit date: | 2017-09-07 | Release date: | 2018-07-18 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Effects of copper occupancy on the conformational landscape of peptidylglycine alpha-hydroxylating monooxygenase. Commun Biol, 1, 2018
|
|
6AMP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6amp by Molmil](/molmil-images/mine/6amp) | Crystal structure of H172A PHM (CuH absent, CuM present) | Descriptor: | COPPER (II) ION, Peptidyl-glycine alpha-amidating monooxygenase | Authors: | Maheshwari, S, Rudzka, K, Gabelli, S.B, Amzel, L.M. | Deposit date: | 2017-08-10 | Release date: | 2018-07-18 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.48 Å) | Cite: | Effects of copper occupancy on the conformational landscape of peptidylglycine alpha-hydroxylating monooxygenase. Commun Biol, 1, 2018
|
|
6AO6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ao6 by Molmil](/molmil-images/mine/6ao6) | Crystal structure of H108A peptidylglycine alpha-hydroxylating monooxygenase (PHM) | Descriptor: | COPPER (II) ION, GLYCEROL, NICKEL (II) ION, ... | Authors: | Maheshwari, S, Rudzka, K, Gabelli, S.B, Amzel, L.M. | Deposit date: | 2017-08-15 | Release date: | 2018-07-18 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.98 Å) | Cite: | Effects of copper occupancy on the conformational landscape of peptidylglycine alpha-hydroxylating monooxygenase. Commun Biol, 1, 2018
|
|
5WJA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5wja by Molmil](/molmil-images/mine/5wja) | Crystal structure of H107A peptidylglycine alpha-hydroxylating monooxygenase (PHM) in complex with citrate | Descriptor: | CITRATE ANION, COPPER (II) ION, GLYCEROL, ... | Authors: | Maheshwari, S, Rudzka, K, Gabelli, S.B, Amzel, L.M. | Deposit date: | 2017-07-21 | Release date: | 2018-07-18 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Effects of copper occupancy on the conformational landscape of peptidylglycine alpha-hydroxylating monooxygenase. Commun Biol, 1, 2018
|
|
5WKW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5wkw by Molmil](/molmil-images/mine/5wkw) | Crystal structure of apo wild type peptidylglycine alpha-hydroxylating monooxygenase (PHM) | Descriptor: | DI(HYDROXYETHYL)ETHER, GLYCEROL, Peptidyl-glycine alpha-amidating monooxygenase | Authors: | Maheshwari, S, Rudzka, K, Gabelli, S.B, Amzel, L.M. | Deposit date: | 2017-07-25 | Release date: | 2018-07-18 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Effects of copper occupancy on the conformational landscape of peptidylglycine alpha-hydroxylating monooxygenase. Commun Biol, 1, 2018
|
|
5WM0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5wm0 by Molmil](/molmil-images/mine/5wm0) | |
6ALA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ala by Molmil](/molmil-images/mine/6ala) | Crystal structure of H108A peptidylglycine alpha-hydroxylating monooxygenase (PHM) in complex with citrate | Descriptor: | CITRATE ANION, COPPER (II) ION, GLYCEROL, ... | Authors: | Maheshwari, S, Rudzka, K, Gabelli, S.B, Amzel, L.M. | Deposit date: | 2017-08-07 | Release date: | 2018-07-18 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.59 Å) | Cite: | Effects of copper occupancy on the conformational landscape of peptidylglycine alpha-hydroxylating monooxygenase. Commun Biol, 1, 2018
|
|
6ALV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6alv by Molmil](/molmil-images/mine/6alv) | Crystal structure of H107A-peptidylglycine alpha-hydroxylating monooxygenase (PHM) mutant (no CuH bound) | Descriptor: | AZIDE ION, COPPER (II) ION, GLYCEROL, ... | Authors: | Maheshwari, S, Rudzka, K, Gabelli, S.B, Amzel, L.M. | Deposit date: | 2017-08-08 | Release date: | 2018-07-18 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Effects of copper occupancy on the conformational landscape of peptidylglycine alpha-hydroxylating monooxygenase. Commun Biol, 1, 2018
|
|
6AN3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6an3 by Molmil](/molmil-images/mine/6an3) | Crystal structure of H172A-peptidylglycine alpha-hydroxylating monooxygenase (PHM) mutant soaked with peptide (no CuH bound, no peptide bound) | Descriptor: | COPPER (II) ION, DI(HYDROXYETHYL)ETHER, Peptidyl-glycine alpha-amidating monooxygenase | Authors: | Maheshwari, S, Rudzka, K, Gabelli, S.B, Amzel, L.M. | Deposit date: | 2017-08-11 | Release date: | 2018-07-18 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Effects of copper occupancy on the conformational landscape of peptidylglycine alpha-hydroxylating monooxygenase. Commun Biol, 1, 2018
|
|
2BQ2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2bq2 by Molmil](/molmil-images/mine/2bq2) | Solution Structure of the DNA Duplex ACGCGU-NA with a 2' Amido-Linked Nalidixic Acid Residue at the 3' Terminal Nucleotide | Descriptor: | 5'-D(*AP*CP*GP*CP*GP*2AU)-3', NALIDIXIC ACID | Authors: | Siegmund, K, Maheshwary, S, Narayanan, S, Connors, W, Richert, M. | Deposit date: | 2005-04-26 | Release date: | 2006-08-03 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Molecular details of quinolone-DNA interactions: solution structure of an unusually stable DNA duplex with covalently linked nalidixic acid residues and non-covalent complexes derived from it. Nucleic Acids Res., 33, 2005
|
|
6NCT
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6nct by Molmil](/molmil-images/mine/6nct) | Structure of p110alpha/niSH2 - vector data collection | Descriptor: | Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform, SULFATE ION, ... | Authors: | Miller, M.S, Maheshwari, S, Amzel, L.M, Gabelli, S.B. | Deposit date: | 2018-12-12 | Release date: | 2019-02-06 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (3.35 Å) | Cite: | Getting the Most Out of Your Crystals: Data Collection at the New High-Flux, Microfocus MX Beamlines at NSLS-II. Molecules, 24, 2019
|
|
6NCK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6nck by Molmil](/molmil-images/mine/6nck) | Crystal structure of H108A peptidylglycine alpha-hydroxylating monooxygenase (PHM) | Descriptor: | COPPER (II) ION, NICKEL (II) ION, Peptidyl-glycine alpha-amidating monooxygenase | Authors: | Miller, M.S, Maheshwari, S, Gabelli, S.B. | Deposit date: | 2018-12-11 | Release date: | 2019-02-06 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Getting the Most Out of Your Crystals: Data Collection at the New High-Flux, Microfocus MX Beamlines at NSLS-II. Molecules, 24, 2019
|
|
6NCH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6nch by Molmil](/molmil-images/mine/6nch) | Crystal structure of CDP-Chase: Raster data collection | Descriptor: | D-ribose, PHOSPHATE ION, Phosphohydrolase (MutT/nudix family protein), ... | Authors: | Miller, M.S, Shi, W, Gabelli, S.B. | Deposit date: | 2018-12-11 | Release date: | 2019-02-06 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Getting the Most Out of Your Crystals: Data Collection at the New High-Flux, Microfocus MX Beamlines at NSLS-II. Molecules, 24, 2019
|
|
6NCI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6nci by Molmil](/molmil-images/mine/6nci) | Crystal structure of CDP-Chase: Vector data collection | Descriptor: | D-ribose, DI(HYDROXYETHYL)ETHER, PHOSPHATE ION, ... | Authors: | Miller, M.S, Shi, W, Gabelli, S.B. | Deposit date: | 2018-12-11 | Release date: | 2019-02-06 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.08 Å) | Cite: | Getting the Most Out of Your Crystals: Data Collection at the New High-Flux, Microfocus MX Beamlines at NSLS-II. Molecules, 24, 2019
|
|
5SW8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5sw8 by Molmil](/molmil-images/mine/5sw8) | Crystal structure of PI3Kalpha in complex with fragments 7 and 11 | Descriptor: | 2-CHLOROBENZENESULFONAMIDE, 2H-indazol-5-amine, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | Authors: | Gabelli, S.B, Vogelstein, B, Miller, M.S, Amzel, L.M. | Deposit date: | 2016-08-08 | Release date: | 2017-02-15 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Identification of allosteric binding sites for PI3K alpha oncogenic mutant specific inhibitor design. Bioorg. Med. Chem., 25, 2017
|
|
5SWP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5swp by Molmil](/molmil-images/mine/5swp) | Crystal Structure of PI3Kalpha in complex with fragments 6 and 24 | Descriptor: | 2-methylcyclohexane-1,3-dione, CHLORIDE ION, Phosphatidylinositol 3-kinase regulatory subunit alpha, ... | Authors: | Gabelli, S.B, Vogelstein, B, Miller, M.S, Amzel, L.M. | Deposit date: | 2016-08-08 | Release date: | 2017-02-15 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3.41 Å) | Cite: | Identification of allosteric binding sites for PI3K alpha oncogenic mutant specific inhibitor design. Bioorg. Med. Chem., 25, 2017
|
|
5SXD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5sxd by Molmil](/molmil-images/mine/5sxd) | Crystal Structure of PI3Kalpha in complex with fragment 22 | Descriptor: | 2-methoxybenzoic acid, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | Authors: | Gabelli, S.B, Vogelstein, B, Miller, M.S, Amzel, L.M. | Deposit date: | 2016-08-09 | Release date: | 2017-02-15 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Identification of allosteric binding sites for PI3K alpha oncogenic mutant specific inhibitor design. Bioorg. Med. Chem., 25, 2017
|
|
5SXB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5sxb by Molmil](/molmil-images/mine/5sxb) | Crystal Structure of PI3Kalpha in complex with fragment 23 | Descriptor: | ISATOIC ANHYDRIDE, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | Authors: | Gabelli, S.B, Vogelstein, B, Miller, M.S, Amzel, L.M. | Deposit date: | 2016-08-09 | Release date: | 2017-02-15 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Identification of allosteric binding sites for PI3K alpha oncogenic mutant specific inhibitor design. Bioorg. Med. Chem., 25, 2017
|
|
5SWR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5swr by Molmil](/molmil-images/mine/5swr) | Crystal Structure of PI3Kalpha in complex with fragments 20 and 26 | Descriptor: | 2-HYDROXYBENZOIC ACID, 6-hydroxy-3,4-dihydronaphthalen-1(2H)-one, CHLORIDE ION, ... | Authors: | Gabelli, S.B, Vogelstein, B, Miller, M.S, Amzel, L.M. | Deposit date: | 2016-08-08 | Release date: | 2017-02-15 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3.31 Å) | Cite: | Identification of allosteric binding sites for PI3K alpha oncogenic mutant specific inhibitor design. Bioorg. Med. Chem., 25, 2017
|
|
5SXA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5sxa by Molmil](/molmil-images/mine/5sxa) | Crystal Structure of PI3Kalpha in complex with fragment 10 | Descriptor: | 2-(trifluoromethyl)-1H-benzimidazol-5-amine, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | Authors: | Gabelli, S.B, Vogelstein, B, Miller, M.S, Amzel, L.M. | Deposit date: | 2016-08-09 | Release date: | 2017-02-15 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3.35 Å) | Cite: | Identification of allosteric binding sites for PI3K alpha oncogenic mutant specific inhibitor design. Bioorg. Med. Chem., 25, 2017
|
|
5SXI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5sxi by Molmil](/molmil-images/mine/5sxi) | Crystal Structure of PI3Kalpha in complex with fragment 13 | Descriptor: | Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform, trans-cyclohexane-1,4-diol | Authors: | Gabelli, S.B, Vogelstein, B, Miller, M.S, Amzel, L.M. | Deposit date: | 2016-08-09 | Release date: | 2017-02-15 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3.4 Å) | Cite: | Identification of allosteric binding sites for PI3K alpha oncogenic mutant specific inhibitor design. Bioorg. Med. Chem., 25, 2017
|
|
5SWO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5swo by Molmil](/molmil-images/mine/5swo) | Crystal Structure of PI3Kalpha in complex with fragments 4 and 19 | Descriptor: | 2-methyl-5-nitro-1H-indole, 4-methyl-3-nitropyridin-2-amine, CHLORIDE ION, ... | Authors: | Gabelli, S.B, Vogelstein, B, Miller, M.S, Amzel, L.M. | Deposit date: | 2016-08-08 | Release date: | 2017-02-15 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Identification of allosteric binding sites for PI3K alpha oncogenic mutant specific inhibitor design. Bioorg. Med. Chem., 25, 2017
|
|