8EZE
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7UBF
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7UBD
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7UBI
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8FJ6
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![BU of 8fj6 by Molmil](/molmil-images/mine/8fj6) | LSD1-CoREST in complex with T108, long soaking | Descriptor: | Lysine-specific histone demethylase 1A, REST corepressor 1, [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl (2R,3S,4S)-5-[7,8-dimethyl-2,4-dioxo-5-{3-[3-(phenylcarbamoyl)phenyl]propanoyl}-1,3,4,5-tetrahydrobenzo[g]pteridin-10(2H)-yl]-2,3,4-trihydroxypentyl dihydrogen diphosphate | Authors: | Caroli, J, Mattevi, A. | Deposit date: | 2022-12-19 | Release date: | 2024-06-26 | Method: | X-RAY DIFFRACTION (2.63 Å) | Cite: | Distal drug resistance mutations promote covalent inhibitor-adduct Grob fragmentation in LSD1 to be published
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7UZL
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7UBC
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8FRQ
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![BU of 8frq by Molmil](/molmil-images/mine/8frq) | LSD1-CoREST in complex with T14, long soaking | Descriptor: | Lysine-specific histone demethylase 1A, REST corepressor 1, [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl (2R,3S,4S)-5-[(4aS)-7,8-dimethyl-5-(3-{4-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl}propanoyl)-2,4-dioxo-3,4,4a,5-tetrahydrobenzo[g]pteridin-10(2H)-yl]-2,3,4-trihydroxypentyl dihydrogen diphosphate (non-preferred name) | Authors: | Caroli, J, Mattevi, A. | Deposit date: | 2023-01-08 | Release date: | 2024-08-07 | Method: | X-RAY DIFFRACTION (2.89 Å) | Cite: | Distal drug resistance mutations promote covalent inhibitor-adduct Grob fragmentation in LSD1 to be published
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7UBE
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7UBG
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6WLY
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7UBH
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6WFG
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![BU of 6wfg by Molmil](/molmil-images/mine/6wfg) | Crystal structure of human Naa50 in complex with an inhibitor (compound 3) identified using DNA encoded library technology | Descriptor: | (2S)-N-[(2S)-3-[1-(3-tert-butyl-1-methyl-1H-pyrazole-5-carbonyl)piperidin-4-yl]-1-(methylamino)-1-oxopropan-2-yl]-6-oxopiperidine-2-carboxamide, COENZYME A, N-alpha-acetyltransferase 50 | Authors: | Greasley, S.E, Feng, J, Deng, Y.-L, Stewart, A.E. | Deposit date: | 2020-04-03 | Release date: | 2020-07-01 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.16 Å) | Cite: | Characterization of SpecificN-alpha-Acetyltransferase 50 (Naa50) Inhibitors Identified Using a DNA Encoded Library. Acs Med.Chem.Lett., 11, 2020
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6WLX
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8HL6
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6WIS
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![BU of 6wis by Molmil](/molmil-images/mine/6wis) | Copper resistance protein copG- Form 1 | Descriptor: | ACETATE ION, COPPER (II) ION, DUF411 domain-containing protein, ... | Authors: | Hausrath, A.C, Ly, A, McEvoy, M.M. | Deposit date: | 2020-04-10 | Release date: | 2020-06-24 | Last modified: | 2020-08-19 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The bacterial copper resistance protein CopG contains a cysteine-bridged tetranuclear copper cluster. J.Biol.Chem., 295, 2020
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8HL7
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7U2L
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![BU of 7u2l by Molmil](/molmil-images/mine/7u2l) | C5guano-uOR-Gi-scFv16 | Descriptor: | Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(i) subunit alpha-1, ... | Authors: | Wang, H, Qu, Q, Skiniotis, G, Kobilka, B. | Deposit date: | 2022-02-24 | Release date: | 2022-05-04 | Last modified: | 2023-02-08 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Structure-based design of bitopic ligands for the μ-opioid receptor. Nature, 613, 2023
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7TT8
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![BU of 7tt8 by Molmil](/molmil-images/mine/7tt8) | Human LRH-1 LBD bound to agonist 6N-10CA and fragment of Tif2 coactivator | Descriptor: | 10-[(3aR,6S,6aR)-3-phenyl-3a-(1-phenylethenyl)-6-(sulfamoylamino)-1,3a,4,5,6,6a-hexahydropentalen-2-yl]decanoic acid (non-preferred name), Nuclear receptor coactivator 2, Nuclear receptor subfamily 5 group A member 2 | Authors: | Cato, M.L, Ortlund, E.A. | Deposit date: | 2022-01-31 | Release date: | 2022-05-11 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Differential Modulation of Nuclear Receptor LRH-1 through Targeting Buried and Surface Regions of the Binding Pocket. J.Med.Chem., 65, 2022
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8T8I
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![BU of 8t8i by Molmil](/molmil-images/mine/8t8i) | Structure of VHH-Fab complex with engineered Elbow FNQIKG, Crystal Kappa and SER substitutions | Descriptor: | CHLORIDE ION, DI(HYDROXYETHYL)ETHER, Fab heavy chain, ... | Authors: | Filippova, E.V, Thompson, I, Kossiakoff, A.A. | Deposit date: | 2023-06-22 | Release date: | 2023-11-29 | Last modified: | 2024-01-03 | Method: | X-RAY DIFFRACTION (2.52 Å) | Cite: | Engineered antigen-binding fragments for enhanced crystallization of antibody:antigen complexes. Protein Sci., 33, 2024
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6WEN
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![BU of 6wen by Molmil](/molmil-images/mine/6wen) | Crystal Structure of ADP ribose phosphatase of NSP3 from SARS-CoV-2 in the apo form | Descriptor: | CHLORIDE ION, Non-structural protein 3 | Authors: | Michalska, K, Stols, L, Jedrzejczak, R, Endres, M, Babnigg, G, Kim, Y, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2020-04-02 | Release date: | 2020-04-15 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Crystal structures of SARS-CoV-2 ADP-ribose phosphatase: from the apo form to ligand complexes. Iucrj, 7, 2020
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6WH8
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![BU of 6wh8 by Molmil](/molmil-images/mine/6wh8) | The structure of NTMT1 in complex with compound BM-30 | Descriptor: | 4HP-PRO-LYS-ARG-NH2, BM-30, N-terminal Xaa-Pro-Lys N-methyltransferase 1, ... | Authors: | Noinaj, N, Chen, D, Huang, R. | Deposit date: | 2020-04-07 | Release date: | 2020-08-26 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.729 Å) | Cite: | Selective Peptidomimetic Inhibitors of NTMT1/2: Rational Design, Synthesis, Characterization, and Crystallographic Studies. J.Med.Chem., 63, 2020
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8C09
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![BU of 8c09 by Molmil](/molmil-images/mine/8c09) | Crystal structure of JAK2 JH2-I559F | Descriptor: | Tyrosine-protein kinase JAK2 | Authors: | Haikarainen, T, Silvennoinen, O. | Deposit date: | 2022-12-16 | Release date: | 2023-12-27 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Molecular basis of JAK2 activation in erythropoietin receptor and pathogenic JAK2 signaling. Sci Adv, 10, 2024
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8C41
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![BU of 8c41 by Molmil](/molmil-images/mine/8c41) | High resolution structure of the Streptococcus pneumoniae topoisomerase IV-DNA complex with the novel fluoroquinolone Delafloxacin | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, DNA (5'-D(*CP*AP*TP*GP*AP*AP*T)-3'), ... | Authors: | Najmudin, S, Pan, X.S, Wang, B, Chayen, N.E, Fisher, L.M, Sanderson, M.R. | Deposit date: | 2022-12-30 | Release date: | 2024-01-10 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.393 Å) | Cite: | The nature of the molecular interactions at high resolution of the Streptococcus pneumoniae topoisomerase IV-DNA complex with the novel fluoroquinolone Delafloxacin. To Be Published
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8TBO
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![BU of 8tbo by Molmil](/molmil-images/mine/8tbo) | Sequence specific (AATT) orientation of netropsin molecules at a unique minor groove binding site (position1) within a self-assembled 3D DNA lattice (4x5) | Descriptor: | CACODYLATE ION, DNA (5'-D(*GP*AP*CP*AP*AP*TP*TP*GP*CP*TP*GP*AP*CP*GP*AP*CP*AP*CP*TP*CP*A)-3'), DNA (5'-D(*TP*CP*TP*GP*AP*GP*TP*GP*T)-3'), ... | Authors: | Simmons, C.R, MacCulloch, T, Stephanopoulos, N, Yan, H. | Deposit date: | 2023-06-29 | Release date: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.599 Å) | Cite: | Site-Specific Arrangement and Structure Determination of Minor Groove Binding Molecules in Self-Assembled Three-Dimensional DNA Crystals. J.Am.Chem.Soc., 145, 2023
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