8Q1Z
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8D0J
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![BU of 8d0j by Molmil](/molmil-images/mine/8d0j) | Apo Human SARM1 TIR domain | Descriptor: | NAD(+) hydrolase SARM1 | Authors: | Bratkowski, M.A, Mathur, P. | Deposit date: | 2022-05-26 | Release date: | 2022-09-21 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Uncompetitive, adduct-forming SARM1 inhibitors are neuroprotective in preclinical models of nerve injury and disease. Neuron, 110, 2022
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7SU2
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![BU of 7su2 by Molmil](/molmil-images/mine/7su2) | Crystal structure of a Co-bound RIDC1 variant | Descriptor: | COBALT (II) ION, HEME C, Soluble cytochrome b562 | Authors: | Golub, E, Kakkis, A. | Deposit date: | 2021-11-15 | Release date: | 2022-06-29 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Redox- and metal-directed structural diversification in designed metalloprotein assemblies. Chem.Commun.(Camb.), 58, 2022
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6V0K
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5BMM
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![BU of 5bmm by Molmil](/molmil-images/mine/5bmm) | Src in complex with DNA-templated macrocyclic inhibitor MC25b | Descriptor: | Proto-oncogene tyrosine-protein kinase Src, macrocyclic inhibitor MC25b | Authors: | Georghiou, G, Guja, K.E, Aleem, S, Kleiner, R.E, Liu, D.R, Miller, W.T, Garcia-Diaz, M, Seeliger, M.A. | Deposit date: | 2015-05-22 | Release date: | 2016-09-21 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural and Biochemical Basis for Intracellular Kinase Inhibition by Src-specific Peptidic Macrocycles. Cell Chem Biol, 23, 2016
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7O2D
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7TA6
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![BU of 7ta6 by Molmil](/molmil-images/mine/7ta6) | Trimer-to-Monomer Disruption of Tumor Necrosis Factor-alpha (TNF-alpha) by unnatural alpha/beta-peptide-1 | Descriptor: | 1,2-ETHANEDIOL, AMINO GROUP, Alpha/Beta-peptide-1, ... | Authors: | Niu, J, Bingman, C.A, Gellman, S.H. | Deposit date: | 2021-12-20 | Release date: | 2022-06-29 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.67 Å) | Cite: | Trimer-to-Monomer Disruption Mechanism for a Potent, Protease-Resistant Antagonist of Tumor Necrosis Factor-alpha Signaling. J.Am.Chem.Soc., 144, 2022
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8Q5Z
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8PZ9
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![BU of 8pz9 by Molmil](/molmil-images/mine/8pz9) | Crystal structure of VDR in complex with D-Bishomo-1a,25-dihydroxyvitamin D3 Analog 55 | Descriptor: | (1~{R},3~{R})-5-[(2~{E})-2-[(4~{a}~{R},5~{R},9~{a}~{S})-4~{a}-methyl-5-[(2~{R})-6-methyl-6-oxidanyl-heptan-2-yl]-3,4,5,8,9,9~{a}-hexahydro-2~{H}-benzo[7]annulen-1-ylidene]ethylidene]-2-methylidene-cyclohexane-1,3-diol, Nuclear receptor coactivator 2, Vitamin D3 receptor A | Authors: | Rochel, N. | Deposit date: | 2023-07-27 | Release date: | 2023-08-30 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.74 Å) | Cite: | Design, synthesis, and biological activity of D-bishomo-1 alpha ,25-dihydroxyvitamin D 3 analogs and their crystal structures with the vitamin D nuclear receptor. Eur.J.Med.Chem., 271, 2024
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6V0S
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7O50
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![BU of 7o50 by Molmil](/molmil-images/mine/7o50) | Crystal structure of human legumain in complex with Gly-Ser-Asn peptide | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GLY-SER-ASN, ... | Authors: | Dall, E, Brandstetter, H. | Deposit date: | 2021-04-07 | Release date: | 2021-09-22 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The Peptide Ligase Activity of Human Legumain Depends on Fold Stabilization and Balanced Substrate Affinities. Acs Catalysis, 11, 2021
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7SSB
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![BU of 7ssb by Molmil](/molmil-images/mine/7ssb) | Co-structure of PKG1 regulatory domain with compound 33 | Descriptor: | 4-({(2S,3S)-3-[(1S)-1-(3,5-dichlorophenyl)-2-hydroxyethoxy]-2-phenylpiperidin-1-yl}methyl)-3-nitrobenzoic acid, cGMP-dependent protein kinase 1 | Authors: | Fischmann, T.O. | Deposit date: | 2021-11-10 | Release date: | 2022-08-24 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Optimization and Mechanistic Investigations of Novel Allosteric Activators of PKG1 alpha. J.Med.Chem., 65, 2022
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6LVZ
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![BU of 6lvz by Molmil](/molmil-images/mine/6lvz) | Crystal structure of TLR7/Cpd-3 (SM-394830) complex | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 6-azanyl-2-(2-methoxyethoxy)-9-(pyridin-3-ylmethyl)-7H-purin-8-one, ... | Authors: | Zhang, Z, Ohto, U, Shimizu, T. | Deposit date: | 2020-02-06 | Release date: | 2020-11-11 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.83 Å) | Cite: | Structural analysis reveals TLR7 dynamics underlying antagonism. Nat Commun, 11, 2020
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8PVP
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![BU of 8pvp by Molmil](/molmil-images/mine/8pvp) | Crystal structure of human Casein Kinase II subunit alpha (CK2a1) in complex with allosteric compound FGJG18 | Descriptor: | Casein kinase II subunit alpha, SULFATE ION, ~{N}-[5-[(3-chloranyl-4-phenyl-phenyl)methylamino]pentyl]isoquinoline-5-sulfonamide | Authors: | Kraemer, A, Greco, F, Gerninghaus, J, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2023-07-18 | Release date: | 2023-09-20 | Last modified: | 2024-08-07 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Synthesis and evaluation of chemical linchpins for highly selective CK2 alpha targeting. Eur.J.Med.Chem., 276, 2024
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6V0X
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![BU of 6v0x by Molmil](/molmil-images/mine/6v0x) | Crystal structure of the bromodomain of human BRD9 bound to sunitinib | Descriptor: | Bromodomain-containing protein 9, N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fluoro-2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbo xamide | Authors: | Karim, M.R, Chan, A, Zhu, J.Y, Schonbrunn, E. | Deposit date: | 2019-11-19 | Release date: | 2020-03-11 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structural Basis of Inhibitor Selectivity in the BRD7/9 Subfamily of Bromodomains. J.Med.Chem., 63, 2020
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6LX8
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![BU of 6lx8 by Molmil](/molmil-images/mine/6lx8) | X-ray structure of human PPARalpha ligand binding domain-oleic acid co-crystals obtained by delipidation and cross-seeding | Descriptor: | GLYCEROL, OLEIC ACID, Peroxisome proliferator-activated receptor alpha | Authors: | Kamata, S, Saito, K, Honda, A, Ishikawa, R, Oyama, T, Ishii, I. | Deposit date: | 2020-02-10 | Release date: | 2020-11-11 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | PPAR alpha Ligand-Binding Domain Structures with Endogenous Fatty Acids and Fibrates. Iscience, 23, 2020
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7T1K
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![BU of 7t1k by Molmil](/molmil-images/mine/7t1k) | Crystal structure of a superbinder Fes SH2 domain (sFes1) in complex with a high affinity phosphopeptide | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, MALONATE ION, ... | Authors: | Martyn, G.D, Singer, A.U, Veggiani, G, Kurinov, I, Sicheri, F, Sidhu, S.S. | Deposit date: | 2021-12-02 | Release date: | 2022-08-24 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Engineered SH2 Domains for Targeted Phosphoproteomics. Acs Chem.Biol., 17, 2022
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6V13
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![BU of 6v13 by Molmil](/molmil-images/mine/6v13) | immune receptor complex | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Fibrinogen beta 74cit69-81, G08 TCR alpha chain, ... | Authors: | Lim, J.J, Rossjohn, J. | Deposit date: | 2019-11-19 | Release date: | 2020-11-25 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | The shared susceptibility epitope of HLA-DR4 binds citrullinated self-antigens and the TCR. Sci Immunol, 6, 2021
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5BO2
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7NXV
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![BU of 7nxv by Molmil](/molmil-images/mine/7nxv) | Crystal structure of the complex of DNase I/G-actin/PPP1R15A_582-621 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ADENOSINE-5'-TRIPHOSPHATE, Actin, ... | Authors: | Yan, Y, Ron, D. | Deposit date: | 2021-03-19 | Release date: | 2021-09-29 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Higher-order phosphatase-substrate contacts terminate the integrated stress response. Nat.Struct.Mol.Biol., 28, 2021
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7SMD
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![BU of 7smd by Molmil](/molmil-images/mine/7smd) | p107 pocket domain complexed with EID1 peptide | Descriptor: | EP300-interacting inhibitor of differentiation 1, Retinoblastoma-like protein 1, SULFATE ION | Authors: | Putta, S, Fernandez, S.M, Tripathi, S.M, Muller, G.A, Rubin, S.M. | Deposit date: | 2021-10-25 | Release date: | 2022-06-29 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Structural basis for tunable affinity and specificity of LxCxE-dependent protein interactions with the retinoblastoma protein family. Structure, 30, 2022
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7T8Y
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![BU of 7t8y by Molmil](/molmil-images/mine/7t8y) | Structure of Class A sortase from Streptococcus pyogenes bound to lipid II mimetic, LPATA: Thr-in conformation | Descriptor: | ACE-ALA-ZGL-LYS-DAL-DAL, BE2-LEU-PRO-ALA-THR-ALA-ALA, Sortase | Authors: | Piper, I.M, Antos, J.M, Amacher, J.F. | Deposit date: | 2021-12-17 | Release date: | 2022-09-07 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structures of Streptococcus pyogenes class A sortase in complex with substrate and product mimics provide key details of target recognition. J.Biol.Chem., 298, 2022
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6PJU
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6V1M
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![BU of 6v1m by Molmil](/molmil-images/mine/6v1m) | Structure of NDM-1 bound to QPX7728 at 1.05 A | Descriptor: | (1~{a}~{R},7~{b}~{S})-5-fluoranyl-2,2-bis(oxidanyl)-1~{a},7~{b}-dihydro-1~{H}-cyclopropa[c][1,2]benzoxaborinine-4-carboxylic acid, Metallo-beta-lactamase type 2, ZINC ION | Authors: | Pemberton, O.A, Chen, Y. | Deposit date: | 2019-11-20 | Release date: | 2020-03-25 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.05 Å) | Cite: | Discovery of Cyclic Boronic Acid QPX7728, an Ultrabroad-Spectrum Inhibitor of Serine and Metallo-beta-lactamases. J.Med.Chem., 63, 2020
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7SW4
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![BU of 7sw4 by Molmil](/molmil-images/mine/7sw4) | MicroED structure of proteinase K from a 540 nm thick lamella measured at 200 kV | Descriptor: | Proteinase K | Authors: | Martynowycz, M.W, Clabbers, M.T.B, Unge, J, Hattne, J, Gonen, T. | Deposit date: | 2021-11-19 | Release date: | 2022-09-07 | Last modified: | 2023-10-18 | Method: | ELECTRON CRYSTALLOGRAPHY (2.4 Å) | Cite: | Benchmarking the ideal sample thickness in cryo-EM. Proc.Natl.Acad.Sci.USA, 118, 2021
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