7JUL
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![BU of 7jul by Molmil](/molmil-images/mine/7jul) | Crystal structure of non phosphorylated PTEN (n-crPTEN-13sp-T1, SDTTDSDPENEG) | Descriptor: | Phosphatidylinositol 3,4,5-trisphosphate 3-phosphatase and dual-specificity protein phosphatase PTEN | Authors: | Dempsey, D, Phan, K, Cole, P, Gabelli, S.B. | Deposit date: | 2020-08-20 | Release date: | 2021-08-11 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.53 Å) | Cite: | The structural basis of PTEN regulation by multi-site phosphorylation. Nat.Struct.Mol.Biol., 28, 2021
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7JUK
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![BU of 7juk by Molmil](/molmil-images/mine/7juk) | Crystal structure of PTEN with a tetra-phosphorylated tail (4p-crPTEN-13sp-T2, SDTTDSDPENEG) | Descriptor: | PHOSPHATE ION, Phosphatidylinositol 3,4,5-trisphosphate 3-phosphatase and dual-specificity protein phosphatase PTEN | Authors: | Dempsey, D, Phan, K, Cole, P, Gabelli, S.B. | Deposit date: | 2020-08-19 | Release date: | 2021-10-13 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3.15 Å) | Cite: | The structural basis of PTEN regulation by multi-site phosphorylation. Nat.Struct.Mol.Biol., 28, 2021
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6UJ7
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![BU of 6uj7 by Molmil](/molmil-images/mine/6uj7) | Crystal structure of HLA-B*07:02 with R140Q mutant IDH2 peptide | Descriptor: | Beta-2-microglobulin, HLA class I histocompatibility antigen, B-7 alpha chain, ... | Authors: | Miller, M.S, Thirawatananond, P, Gabelli, S.B. | Deposit date: | 2019-10-02 | Release date: | 2021-05-05 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural engineering of chimeric antigen receptors targeting HLA-restricted neoantigens. Nat Commun, 12, 2021
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7UTT
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![BU of 7utt by Molmil](/molmil-images/mine/7utt) | |
7UZR
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![BU of 7uzr by Molmil](/molmil-images/mine/7uzr) | Structure of Ternary Complex of cGAS with dsDNA and Bound 5 -pppG(2 ,5 )pG | Descriptor: | Cyclic GMP-AMP synthase, MANGANESE (II) ION, Palindromic DNA18, ... | Authors: | Wu, S, Gabelli, S.B, Sohn, J. | Deposit date: | 2022-05-09 | Release date: | 2023-05-10 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | The structural basis for 2'-5'/3'-5'-cGAMP synthesis by cGAS Nat Commun, 15, 2024
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7V0C
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![BU of 7v0c by Molmil](/molmil-images/mine/7v0c) | Structure of Ternary Complex of cGAS with dsDNA and Bound 5 -pppG(2 ,5 )pG | Descriptor: | Cyclic GMP-AMP synthase, MANGANESE (II) ION, Palindromic DNA18, ... | Authors: | Wu, S, Gabelli, S.B, Sohn, J. | Deposit date: | 2022-05-10 | Release date: | 2023-05-10 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.57 Å) | Cite: | Structure of Ternary Complex of cGAS with dsDNA and Bound 5 -pppG(2 ,5 )pG To Be Published
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7V0R
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![BU of 7v0r by Molmil](/molmil-images/mine/7v0r) | Structure of Ternary Complex of cGAS with dsDNA and Bound 5 -ppcpG(2 ,5 )pA | Descriptor: | Cyclic GMP-AMP synthase, MAGNESIUM ION, Palindromic DNA18, ... | Authors: | Wu, S, Gabelli, S.B, Sohn, J. | Deposit date: | 2022-05-10 | Release date: | 2023-05-10 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.51 Å) | Cite: | Structure of Ternary Complex of cGAS with dsDNA and Bound 5 -ppcpG(2 ,5 )pA To Be Published
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6MBA
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![BU of 6mba by Molmil](/molmil-images/mine/6mba) | Crystal Structure of Human Nav1.4 CTerminal Domain in Complex with apo Calmodulin | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CARBONATE ION, ... | Authors: | Yoder, J, Gabelli, S.B, Amzel, L.M. | Deposit date: | 2018-08-29 | Release date: | 2019-04-10 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.799 Å) | Cite: | Ca2+-dependent regulation of sodium channels NaV1.4 and NaV1.5 is controlled by the post-IQ motif. Nat Commun, 10, 2019
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6MC9
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![BU of 6mc9 by Molmil](/molmil-images/mine/6mc9) | |
7MLK
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![BU of 7mlk by Molmil](/molmil-images/mine/7mlk) | Crystal structure of human PI3Ka (p110a subunit) with MMV085400 bound to the active site determined at 2.9 angstroms resolution | Descriptor: | 4-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]benzamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | Authors: | Krake, S.H, Martinez, P.D.G, Poggi, M.L, Ferreira, M.S, Aguiar, A.C.C, Souza, G.E, Wenlock, M, Jones, B, Steinbrecher, T, Day, T, McPhail, J, Burke, J, Yeo, T, Mok, S, Uhlemann, A.C, Fidock, D.A, Chen, P, Grodsky, N, Deng, Y.L, Guido, R.V.C, Campbell, S.F, Willis, P.A, Dias, L.C. | Deposit date: | 2021-04-28 | Release date: | 2022-05-04 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.91 Å) | Cite: | Discovery of 2,6-disubstituted pyrazines as potent PI4K inhibitors with antimalarial activity To Be Published
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7TAB
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![BU of 7tab by Molmil](/molmil-images/mine/7tab) | G-925 bound to the SMARCA4 (BRG1) Bromodomain | Descriptor: | 2-(6-amino-5-phenylpyridazin-3-yl)phenol, Isoform 4 of Transcription activator BRG1 | Authors: | Tang, Y, Poy, F, Taylor, A.M, Cochran, A.G, Bellon, S.F. | Deposit date: | 2021-12-20 | Release date: | 2022-08-17 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.16 Å) | Cite: | GNE-064: A Potent, Selective, and Orally Bioavailable Chemical Probe for the Bromodomains of SMARCA2 and SMARCA4 and the Fifth Bromodomain of PBRM1. J.Med.Chem., 65, 2022
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7TD9
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![BU of 7td9 by Molmil](/molmil-images/mine/7td9) | G-059 bound to the SMARCA4 (BRG1) Bromodomain | Descriptor: | 4-phenyl-5H-pyridazino[4,3-b]indol-3-amine, Isoform 4 of Transcription activator BRG1 | Authors: | Tang, Y, Poy, F, Taylor, A.M, Cochran, A.G, Bellon, S.F. | Deposit date: | 2021-12-30 | Release date: | 2022-08-17 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.61 Å) | Cite: | GNE-064: A Potent, Selective, and Orally Bioavailable Chemical Probe for the Bromodomains of SMARCA2 and SMARCA4 and the Fifth Bromodomain of PBRM1. J.Med.Chem., 65, 2022
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6TSX
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![BU of 6tsx by Molmil](/molmil-images/mine/6tsx) | Crystal structure of horse L ferritin (HoLf) Fe(III)-loaded for 30 minutes | Descriptor: | CADMIUM ION, CHLORIDE ION, FE (III) ION, ... | Authors: | Pozzi, C, Ciambellotti, S, Turano, P, Mangani, S. | Deposit date: | 2019-12-21 | Release date: | 2020-02-19 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.021 Å) | Cite: | Iron Biomineral Growth from the Initial Nucleation Seed in L-Ferritin. Chemistry, 26, 2020
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8E0W
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![BU of 8e0w by Molmil](/molmil-images/mine/8e0w) | Crystal structure of mouse APCDD1 in P1 space group | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, GLYCEROL, ... | Authors: | Hsieh, F.L, Chang, T.H, Gabelli, S.B, Nathans, J. | Deposit date: | 2022-08-09 | Release date: | 2023-05-10 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Structure of WNT inhibitor adenomatosis polyposis coli down-regulated 1 (APCDD1), a cell-surface lipid-binding protein. Proc.Natl.Acad.Sci.USA, 120, 2023
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8E0R
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![BU of 8e0r by Molmil](/molmil-images/mine/8e0r) | Crystal structure of mouse APCDD1 in P21 space group | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Protein APCDD1 | Authors: | Hsieh, F.L, Chang, T.H, Gabelli, S.B, Nathans, J. | Deposit date: | 2022-08-09 | Release date: | 2023-05-10 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structure of WNT inhibitor adenomatosis polyposis coli down-regulated 1 (APCDD1), a cell-surface lipid-binding protein. Proc.Natl.Acad.Sci.USA, 120, 2023
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7UXW
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![BU of 7uxw by Molmil](/molmil-images/mine/7uxw) | Structure of ATP and GTP bind to Cyclic GMP AMP synthase (cGAS) through Mg coordination | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Cyclic GMP-AMP synthase, GUANOSINE-5'-TRIPHOSPHATE, ... | Authors: | Wu, S, Gabelli, S.B, Sohn, J. | Deposit date: | 2022-05-06 | Release date: | 2023-05-10 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.57 Å) | Cite: | The structural basis for 2'-5'/3'-5'-cGAMP synthesis by cGAS Nat Commun, 15, 2024
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7UYQ
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![BU of 7uyq by Molmil](/molmil-images/mine/7uyq) | Structure of GTP binds to Cyclic GMP AMP synthase (cGAS) through Mg coordination | Descriptor: | Cyclic GMP-AMP synthase, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Wu, S, Gabelli, S.B, Sohn, J. | Deposit date: | 2022-05-07 | Release date: | 2023-05-10 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.57 Å) | Cite: | The structural basis for 2'-5'/3'-5'-cGAMP synthesis by cGAS Nat Commun, 15, 2024
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7UYZ
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![BU of 7uyz by Molmil](/molmil-images/mine/7uyz) | Structure of Ternary Complex of cGAS with dsDNA and Bound 5 -pppG(2 ,5 )pG | Descriptor: | Cyclic GMP-AMP synthase, GUANOSINE-5'-MONOPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, ... | Authors: | Wu, S, Gabelli, S.B, Sohn, J. | Deposit date: | 2022-05-07 | Release date: | 2023-05-10 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.49 Å) | Cite: | The structural basis for 2'-5'/3'-5'-cGAMP synthesis by cGAS Nat Commun, 15, 2024
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5V84
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![BU of 5v84 by Molmil](/molmil-images/mine/5v84) | CECR2 in complex with Cpd6 (6-allyl-N,2-dimethyl-7-oxo-N-(1-(1-phenylethyl)piperidin-4-yl)-6,7-dihydro-1H-pyrrolo[2,3-c]pyridine-4-carboxamide) | Descriptor: | Cat eye syndrome critical region protein 2, N,2-dimethyl-7-oxo-N-{1-[(1S)-1-phenylethyl]piperidin-4-yl}-6-(prop-2-en-1-yl)-6,7-dihydro-1H-pyrrolo[2,3-c]pyridine-4- carboxamide, SULFATE ION | Authors: | Murray, J.M, Kiefer, J.R, Jayaran, H, Bellon, S, Boy, F. | Deposit date: | 2017-03-21 | Release date: | 2017-06-14 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | GNE-886: A Potent and Selective Inhibitor of the Cat Eye Syndrome Chromosome Region Candidate 2 Bromodomain (CECR2). ACS Med Chem Lett, 8, 2017
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6TSS
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![BU of 6tss by Molmil](/molmil-images/mine/6tss) | Crystal structure of horse L ferritin (HoLf) Fe(III)-loaded for 60 minutes | Descriptor: | CADMIUM ION, FE (III) ION, Ferritin light chain, ... | Authors: | Pozzi, C, Ciambellotti, S, Turano, P, Mangani, S. | Deposit date: | 2019-12-21 | Release date: | 2020-02-19 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.18 Å) | Cite: | Iron Biomineral Growth from the Initial Nucleation Seed in L-Ferritin. Chemistry, 26, 2020
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7KU0
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![BU of 7ku0 by Molmil](/molmil-images/mine/7ku0) | Data clustering and dynamics of chymotrypsinogen cluster 138 (yellow) structure | Descriptor: | Chymotrypsinogen A, SULFATE ION | Authors: | Nguyen, T, Phan, K.L, Kreitler, D.F, Andrews, L.C, Gabelli, S.B, Kozakov, D, Jakoncic, J, Sweet, R.M, Soares, A.S, Bernstein, H.J. | Deposit date: | 2020-11-24 | Release date: | 2021-03-10 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | A simple technique to classify diffraction data from dynamic proteins according to individual polymorphs. Acta Crystallogr D Struct Biol, 78, 2022
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7KU2
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![BU of 7ku2 by Molmil](/molmil-images/mine/7ku2) | Data clustering and dynamics of chymotrypsinogen clulster 140 (structure) | Descriptor: | Chymotrypsinogen A, SULFATE ION | Authors: | Nguyen, T, Phan, K.L, Kreitler, D.F, Andrews, L.C, Gabelli, S.B, Kozakov, D, Jakoncic, J, Sweet, R.M, Soares, A.S, Bernstein, H.J. | Deposit date: | 2020-11-24 | Release date: | 2021-03-10 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.185 Å) | Cite: | A simple technique to classify diffraction data from dynamic proteins according to individual polymorphs. Acta Crystallogr D Struct Biol, 78, 2022
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7KU1
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![BU of 7ku1 by Molmil](/molmil-images/mine/7ku1) | Data clustering and dynamics of chymotrypsinogen cluster 139 (green) structure | Descriptor: | Chymotrypsinogen A, SULFATE ION | Authors: | Nguyen, T, Phan, K.L, Kreitler, D.F, Andrews, L.C, Gabelli, S.B, Kozakov, D, Jakoncic, J, Sweet, R.M, Soares, A.S, Bernstein, H.J. | Deposit date: | 2020-11-24 | Release date: | 2021-03-10 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.39 Å) | Cite: | A simple technique to classify diffraction data from dynamic proteins according to individual polymorphs. Acta Crystallogr D Struct Biol, 78, 2022
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7KU3
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![BU of 7ku3 by Molmil](/molmil-images/mine/7ku3) | Data clustering and dynamics of chymotrypsinogen cluster 141 (cyan) structure | Descriptor: | Chymotrypsinogen A, SULFATE ION | Authors: | Nguyen, T, Phan, K.L, Kreitler, D.F, Andrews, L.C, Gabelli, S.B, Kozakov, D, Jakoncic, J, Sweet, R.M, Soares, A.S, Bernstein, H.J. | Deposit date: | 2020-11-24 | Release date: | 2021-03-10 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | A simple technique to classify diffraction data from dynamic proteins according to individual polymorphs. Acta Crystallogr D Struct Biol, 78, 2022
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7KTZ
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![BU of 7ktz by Molmil](/molmil-images/mine/7ktz) | Data clustering and dynamics of chymotrypsinogen cluster 131 (purple) structure | Descriptor: | Chymotrypsinogen A, SULFATE ION | Authors: | Nguyen, T, Phan, K.L, Kreitler, D.F, Andrews, L.C, Gabelli, S.B, Kozakov, D, Jakoncic, J, Sweet, R.M, Soares, A.S, Bernstein, H.J. | Deposit date: | 2020-11-24 | Release date: | 2021-03-10 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | A simple technique to classify diffraction data from dynamic proteins according to individual polymorphs. Acta Crystallogr D Struct Biol, 78, 2022
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