7TS9
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![BU of 7ts9 by Molmil](/molmil-images/mine/7ts9) | Structure of rat neuronal nitric oxide synthase R349A heme domain in complex with 6-(3-(dimethylamino)propyl)-4-methylpyridin-2-amine | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, 6-[3-(dimethylamino)propyl]-4-methylpyridin-2-amine, ACETATE ION, ... | Authors: | Li, H, Poulos, T.L. | Deposit date: | 2022-01-31 | Release date: | 2022-07-13 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.8526 Å) | Cite: | 2-Aminopyridines with a shortened amino sidechain as potent, selective, and highly permeable human neuronal nitric oxide synthase inhibitors. Bioorg.Med.Chem., 69, 2022
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7TSB
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![BU of 7tsb by Molmil](/molmil-images/mine/7tsb) | Structure of rat neuronal nitric oxide synthase R349A heme domain in complex with 4-methyl-6-(3-(methylamino)prop-1-yn-1-yl)pyridin-2-amine | Descriptor: | 4-methyl-6-[3-(methylamino)prop-1-yn-1-yl]pyridin-2-amine, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ... | Authors: | Li, H, Poulos, T.L. | Deposit date: | 2022-01-31 | Release date: | 2022-07-13 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.8177 Å) | Cite: | 2-Aminopyridines with a shortened amino sidechain as potent, selective, and highly permeable human neuronal nitric oxide synthase inhibitors. Bioorg.Med.Chem., 69, 2022
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7TYR
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7UVA
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![BU of 7uva by Molmil](/molmil-images/mine/7uva) | Crystal structure of KDM2A histone demethylase catalytic domain in complex with an H3C36 peptide modified by UNC8015 | Descriptor: | FE (III) ION, Histone H3.2, Lysine-specific demethylase 2A, ... | Authors: | Budziszewski, G.R, Azzam, D.N, Spangler, C.J, Skrajna, A, Foley, C.A, James, L.I, Frye, S.V, McGinty, R.K. | Deposit date: | 2022-04-29 | Release date: | 2023-02-22 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Structural basis of paralog-specific KDM2A/B nucleosome recognition. Nat.Chem.Biol., 19, 2023
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7V4G
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![BU of 7v4g by Molmil](/molmil-images/mine/7v4g) | Crystal structure of human ALKBH5 in complex with m6A-containing ssRNA | Descriptor: | GLYCEROL, MANGANESE (II) ION, RNA (5'-R(P*GP*GP*(6MZ)P*C)-3'), ... | Authors: | Kaur, S, McDonough, M.A, Schofield, C.J, Aik, W.S. | Deposit date: | 2021-08-13 | Release date: | 2022-03-30 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Mechanisms of substrate recognition and N6-methyladenosine demethylation revealed by crystal structures of ALKBH5-RNA complexes. Nucleic Acids Res., 50, 2022
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8R5T
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![BU of 8r5t by Molmil](/molmil-images/mine/8r5t) | |
2NUW
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8T5M
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![BU of 8t5m by Molmil](/molmil-images/mine/8t5m) | SOS2 crystal structure with fragment bound (compound 14) | Descriptor: | 1,2-ETHANEDIOL, 4-[(1R,2S)-1-hydroxy-2-{[2-(4-hydroxyphenyl)ethyl]amino}propyl]phenol, SULFATE ION, ... | Authors: | Gunn, R.J, Lawson, J.D, Ivetac, A, Ulaganathan, T, Coulombe, R, Fethiere, J. | Deposit date: | 2023-06-14 | Release date: | 2024-01-10 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Discovery of Five SOS2 Fragment Hits with Binding Modes Determined by SOS2 X-Ray Cocrystallography. J.Med.Chem., 67, 2024
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2OKR
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![BU of 2okr by Molmil](/molmil-images/mine/2okr) | Crystal Structure of the P38a-MAPKAP kinase 2 Heterodimer | Descriptor: | MAP kinase-activated protein kinase 2, Mitogen-activated protein kinase 14 | Authors: | Ter Haar, E. | Deposit date: | 2007-01-17 | Release date: | 2007-02-06 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structure of the P38alpha-MAPKAP kinase 2 heterodimer. J.Biol.Chem., 282, 2007
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6CA4
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![BU of 6ca4 by Molmil](/molmil-images/mine/6ca4) | Crystal structure of humanized D. rerio TDP2 by 14 mutations | Descriptor: | 1,2-ETHANEDIOL, MAGNESIUM ION, MALONATE ION, ... | Authors: | Shi, K, Aihrara, H. | Deposit date: | 2018-01-29 | Release date: | 2018-05-02 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.623 Å) | Cite: | New fluorescence-based high-throughput screening assay for small molecule inhibitors of tyrosyl-DNA phosphodiesterase 2 (TDP2). Eur J Pharm Sci, 118, 2018
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7TSF
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![BU of 7tsf by Molmil](/molmil-images/mine/7tsf) | Structure of rat neuronal nitric oxide synthase heme domain in complex with 6-(3-(4,4-difluoropiperidin-1-yl)prop-1-yn-1-yl)-4-methylpyridin-2-amine | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, 6-[3-(4,4-difluoropiperidin-1-yl)prop-1-yn-1-yl]-4-methylpyridin-2-amine, ACETATE ION, ... | Authors: | Li, H, Poulos, T.L. | Deposit date: | 2022-01-31 | Release date: | 2022-07-13 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.776 Å) | Cite: | 2-Aminopyridines with a shortened amino sidechain as potent, selective, and highly permeable human neuronal nitric oxide synthase inhibitors. Bioorg.Med.Chem., 69, 2022
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7TSE
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![BU of 7tse by Molmil](/molmil-images/mine/7tse) | Structure of rat neuronal nitric oxide synthase R349A mutant heme domain in complex with 6-(3-(3,3-difluoroazetidin-1-yl)propyl)-4-methylpyridin-2-amine | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, 6-[3-(3,3-difluoroazetidin-1-yl)propyl]-4-methylpyridin-2-amine, ACETATE ION, ... | Authors: | Li, H, Poulos, T.L. | Deposit date: | 2022-01-31 | Release date: | 2022-07-13 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | 2-Aminopyridines with a shortened amino sidechain as potent, selective, and highly permeable human neuronal nitric oxide synthase inhibitors. Bioorg.Med.Chem., 69, 2022
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8R5U
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7UMP
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![BU of 7ump by Molmil](/molmil-images/mine/7ump) | CRYSTAL STRUCTURE OF PHD2 CATALYTIC DOMAIN (CID 7465) IN COMPLEX WITH AKB-6548 AT 1.8 A RESOLUTION | Descriptor: | 1,2-ETHANEDIOL, Egl nine homolog 1, FE (II) ION, ... | Authors: | Davie, D.R, Abendroth, J, Boyd, J. | Deposit date: | 2022-04-07 | Release date: | 2022-05-18 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Preclinical Characterization of Vadadustat (AKB-6548), an Oral Small Molecule Hypoxia-Inducible Factor Prolyl-4-Hydroxylase Inhibitor, for the Potential Treatment of Renal Anemia. J.Pharmacol.Exp.Ther., 383, 2022
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7MOX
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![BU of 7mox by Molmil](/molmil-images/mine/7mox) | Structure of HDAC2 in complex with an inhibitor (compound 14) | Descriptor: | (1S)-N-[(1S)-7,7-dihydroxy-1-{4-[(1R,4S)-1,2,3,4-tetrahydro-1,4-methanonaphthalen-6-yl]-1H-imidazol-2-yl}nonyl]-6-methyl-6-azaspiro[2.5]octane-1-carboxamide, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Klein, D.J, Yu, W. | Deposit date: | 2021-05-03 | Release date: | 2021-07-14 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | Discovery of macrocyclic HDACs 1, 2, and 3 selective inhibitors for HIV latency reactivation. Bioorg.Med.Chem.Lett., 47, 2021
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8SJO
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![BU of 8sjo by Molmil](/molmil-images/mine/8sjo) | [3T14] Self-assembling left-handed tensegrity triangle with 14 interjunction base pairs and R3 symmetry | Descriptor: | DNA (5'-D(P*CP*AP*CP*GP*TP*GP*GP*AP*CP*AP*GP*GP*AP*G)-3'), DNA (5'-D(P*CP*AP*GP*CP*TP*CP*AP*GP*CP*CP*TP*GP*AP*CP*TP*CP*A)-3'), DNA (5'-D(P*GP*TP*GP*AP*GP*TP*CP*TP*CP*CP*AP*CP*GP*T)-3'), ... | Authors: | Janowski, J, Vecchioni, S, Sha, R, Ohayon, Y.P. | Deposit date: | 2023-04-18 | Release date: | 2024-04-24 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (7.08 Å) | Cite: | Engineering tertiary chirality in helical biopolymers. Proc.Natl.Acad.Sci.USA, 121, 2024
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7MJ9
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![BU of 7mj9 by Molmil](/molmil-images/mine/7mj9) | HLA-A*02:01 bound to Neuroblastoma Derived mutant IGFBPL1 peptide | Descriptor: | Beta-2-microglobulin, Insulin-like growth factor-binding protein-like 1 altered peptide, MHC class I antigen | Authors: | Toor, J.S, Tripathi, S.M, Truong, H.V, Yarmarkovich, M, Maris, J.M, Sgourakis, N.G. | Deposit date: | 2021-04-19 | Release date: | 2021-08-18 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Cross-HLA targeting of intracellular oncoproteins with peptide-centric CARs. Nature, 599, 2021
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7MJ6
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![BU of 7mj6 by Molmil](/molmil-images/mine/7mj6) | HLA-A*02:01 bound to Neuroblastoma Derived IGFBPL1 peptide | Descriptor: | Beta-2-microglobulin, GLYCEROL, Insulin-like growth factor-binding protein-like 1 peptide, ... | Authors: | Toor, J.S, Tripathi, S.M, Truong, H.V, Yarmarkovich, M, Maris, J.M, Sgourakis, N.G. | Deposit date: | 2021-04-19 | Release date: | 2021-08-18 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Cross-HLA targeting of intracellular oncoproteins with peptide-centric CARs. Nature, 599, 2021
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7MJ7
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![BU of 7mj7 by Molmil](/molmil-images/mine/7mj7) | HLA-A*02:01 bound to Neuroblastoma Derived IGFBPL1 peptide | Descriptor: | Beta-2-microglobulin, GLYCEROL, Insulin-like growth factor-binding protein-like 1 peptide, ... | Authors: | Toor, J.S, Tripathi, S.M, Truong, H.V, Yarmarkovich, M, Maris, J.M, Sgourakis, N.G. | Deposit date: | 2021-04-19 | Release date: | 2021-08-18 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Cross-HLA targeting of intracellular oncoproteins with peptide-centric CARs. Nature, 599, 2021
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7MJ8
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![BU of 7mj8 by Molmil](/molmil-images/mine/7mj8) | HLA-A*02:01 bound to Neuroblastoma Derived IGFBPL1 peptide | Descriptor: | Beta-2-microglobulin, GLYCEROL, Insulin-like growth factor-binding protein-like 1 peptide, ... | Authors: | Toor, J.S, Tripathi, S.M, Truong, H.V, Yarmarkovich, M, Maris, J.M, Sgourakis, N.G. | Deposit date: | 2021-04-19 | Release date: | 2021-08-18 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Cross-HLA targeting of intracellular oncoproteins with peptide-centric CARs. Nature, 599, 2021
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7KQ4
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7KQ3
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7SNM
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2ONL
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![BU of 2onl by Molmil](/molmil-images/mine/2onl) | Crystal Structure of the p38a-MAPKAP kinase 2 Heterodimer | Descriptor: | MAP kinase-activated protein kinase 2, Mitogen-activated protein kinase 14 | Authors: | Ter Haar, E. | Deposit date: | 2007-01-24 | Release date: | 2007-02-06 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (4 Å) | Cite: | Crystal structure of the P38alpha-MAPKAP kinase 2 heterodimer. J.Biol.Chem., 282, 2007
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8SZ6
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![BU of 8sz6 by Molmil](/molmil-images/mine/8sz6) | PmHMGR bound to mevaldehyde and CoA | Descriptor: | (3R)-3,5,5-trihydroxy-3-methylpentanoic acid, 3-hydroxy-3-methylglutaryl-coenzyme A reductase, Mevaldyl-Coenzyme A, ... | Authors: | Purohit, V, Stauffacher, C.V, Steussy, C.N. | Deposit date: | 2023-05-27 | Release date: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | pH-dependent reaction triggering in PmHMGR crystals for time-resolved crystallography. Biophys.J., 123, 2024
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