7Q5T
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![BU of 7q5t by Molmil](/molmil-images/mine/7q5t) | The tandem SH2 domains of SYK with a bound FCER1G diphospho-ITAM peptide | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, High affinity immunoglobulin epsilon receptor subunit gamma, ... | Authors: | Bradshaw, W.J, Katis, V.L, Chen, Z, Bountra, C, von Delft, F, Gileadi, O, Brennan, P.E. | Deposit date: | 2021-11-04 | Release date: | 2021-11-24 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | The tandem SH2 domains of SYK To Be Published
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7Q5U
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![BU of 7q5u by Molmil](/molmil-images/mine/7q5u) | The tandem SH2 domains of SYK with a bound CD3G diphospho-ITAM peptide | Descriptor: | 1,2-ETHANEDIOL, 1-ETHOXY-2-(2-ETHOXYETHOXY)ETHANE, DI(HYDROXYETHYL)ETHER, ... | Authors: | Bradshaw, W.J, Katis, V.L, Chen, Z, Bountra, C, von Delft, F, Gileadi, O, Brennan, P.E. | Deposit date: | 2021-11-04 | Release date: | 2021-11-24 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | The tandem SH2 domains of SYK To Be Published
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6M7G
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![BU of 6m7g by Molmil](/molmil-images/mine/6m7g) | Crystal structure of ArsN, N-acetyltransferase with substrate phosphinothricin from Pseudomonas putida KT2440 | Descriptor: | PHOSPHINOTHRICIN, Phosphinothricin N-acetyltransferase | Authors: | Venkadesh, S, Dheeman, D.S, Yoshinaga, M, Kandavelu, P, Rosen, B.P. | Deposit date: | 2018-08-20 | Release date: | 2019-04-24 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.657 Å) | Cite: | Arsinothricin, an arsenic-containing non-proteinogenic amino acid analog of glutamate, is a broad-spectrum antibiotic. Commun Biol, 2, 2019
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6YDX
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![BU of 6ydx by Molmil](/molmil-images/mine/6ydx) | Insulin-regulated aminopeptidase complexed with a macrocyclic peptidic inhibitor | Descriptor: | 1,2-ETHANEDIOL, 2-[2-[[[(4~{R},8~{S},11~{S})-11-azanyl-8-[(4-hydroxyphenyl)methyl]-6,10-bis(oxidanylidene)-1,2-dithia-5,9-diazacyclotridec-4-yl]carbonylamino]methyl]phenyl]ethanoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Mpakali, A, Saridakis, E, Giastas, P, Stratikos, E. | Deposit date: | 2020-03-21 | Release date: | 2020-07-22 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Structural Basis of Inhibition of Insulin-Regulated Aminopeptidase by a Macrocyclic Peptidic Inhibitor. Acs Med.Chem.Lett., 11, 2020
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8U7I
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![BU of 8u7i by Molmil](/molmil-images/mine/8u7i) | Structure of the phage immune evasion protein Gad1 bound to the Gabija GajAB complex | Descriptor: | Endonuclease GajA, Gabija Anti-Defense 1, Gabija protein GajB | Authors: | Antine, S.P, Johnson, A.G, Mooney, S.E, Mayer, M.L, Kranzusch, P.J. | Deposit date: | 2023-09-15 | Release date: | 2023-11-22 | Last modified: | 2024-06-05 | Method: | ELECTRON MICROSCOPY (2.57 Å) | Cite: | Structural basis of Gabija anti-phage defence and viral immune evasion. Nature, 625, 2024
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4X32
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![BU of 4x32 by Molmil](/molmil-images/mine/4x32) | Bacteriorhodopsin ground state structure collected in cryo conditions from crystals obtained in LCP with PEG as a precipitant. | Descriptor: | 1-[2,6,10.14-TETRAMETHYL-HEXADECAN-16-YL]-2-[2,10,14-TRIMETHYLHEXADECAN-16-YL]GLYCEROL, Bacteriorhodopsin, RETINAL | Authors: | Nogly, P, Standfuss, J. | Deposit date: | 2014-11-27 | Release date: | 2015-02-18 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Lipidic cubic phase serial millisecond crystallography using synchrotron radiation. Iucrj, 2, 2015
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5LSY
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![BU of 5lsy by Molmil](/molmil-images/mine/5lsy) | Structure of the Epigenetic Oncogene MMSET and inhibition by N-Alkyl Sinefungin Derivatives | Descriptor: | Histone-lysine N-methyltransferase SETD2, THIOCYANATE ION, ZINC ION, ... | Authors: | Tisi, D, Pathuri, P, Heightman, T. | Deposit date: | 2016-09-05 | Release date: | 2016-10-12 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | Structure of the Epigenetic Oncogene MMSET and Inhibition by N-Alkyl Sinefungin Derivatives. ACS Chem. Biol., 11, 2016
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5LT6
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![BU of 5lt6 by Molmil](/molmil-images/mine/5lt6) | Structure of the Epigenetic Oncogene MMSET and inhibition by N-Alkyl Sinefungin Derivatives | Descriptor: | Histone-lysine N-methyltransferase SETD2, THIOCYANATE ION, ZINC ION, ... | Authors: | Tisi, D, Pathuri, P, Heightman, T. | Deposit date: | 2016-09-06 | Release date: | 2016-10-05 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Structure of the Epigenetic Oncogene MMSET and Inhibition by N-Alkyl Sinefungin Derivatives. ACS Chem. Biol., 11, 2016
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1BLS
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![BU of 1bls by Molmil](/molmil-images/mine/1bls) | |
7N7X
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![BU of 7n7x by Molmil](/molmil-images/mine/7n7x) | Crystal structure of BCX7353(ORLADEYO) in complex with human plasma kallikrein serine protease domain at 2.1 angstrom resolution | Descriptor: | Orladeyo, PHOSPHATE ION, Plasma kallikrein light chain | Authors: | Krishnan, R, Yarlagadda, B.S, Kotian, P, Polach, K.J, Zhang, W. | Deposit date: | 2021-06-11 | Release date: | 2021-09-15 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.097 Å) | Cite: | Berotralstat (BCX7353): Structure-Guided Design of a Potent, Selective, and Oral Plasma Kallikrein Inhibitor to Prevent Attacks of Hereditary Angioedema (HAE). J.Med.Chem., 64, 2021
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7ASU
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![BU of 7asu by Molmil](/molmil-images/mine/7asu) | |
7AXA
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![BU of 7axa by Molmil](/molmil-images/mine/7axa) | Crystal structure of the hPXR-LBD in complex with clotrimazole | Descriptor: | 1-[(2-CHLOROPHENYL)(DIPHENYL)METHYL]-1H-IMIDAZOLE, Nuclear receptor subfamily 1 group I member 2 | Authors: | Delfosse, V, Granell, M, Blanc, P, Bourguet, W. | Deposit date: | 2020-11-09 | Release date: | 2021-01-13 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.26 Å) | Cite: | Mechanistic insights into the synergistic activation of the RXR-PXR heterodimer by endocrine disruptor mixtures. Proc.Natl.Acad.Sci.USA, 118, 2021
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7B7N
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![BU of 7b7n by Molmil](/molmil-images/mine/7b7n) | Human herpesvirus-8 gH/gL in complex with EphA2 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ... | Authors: | Pederzoli, R, Guardado-Calvo, P, Rey, F.A, Backovic, M. | Deposit date: | 2020-12-11 | Release date: | 2020-12-30 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.69 Å) | Cite: | Human herpesvirus 8 molecular mimicry of ephrin ligands facilitates cell entry and triggers EphA2 signaling. Plos Biol., 19, 2021
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7PKD
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![BU of 7pkd by Molmil](/molmil-images/mine/7pkd) | C-reactive protein decamer at pH 7.5 with phosphocholine ligand | Descriptor: | C-reactive protein, CALCIUM ION, PHOSPHOCHOLINE | Authors: | Noone, D.P, Sharp, T.H. | Deposit date: | 2021-08-25 | Release date: | 2021-12-22 | Last modified: | 2022-01-12 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Cryo-Electron Microscopy and Biochemical Analysis Offer Insights Into the Effects of Acidic pH, Such as Occur During Acidosis, on the Complement Binding Properties of C-Reactive Protein. Front Immunol, 12, 2021
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5LSS
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7PKE
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![BU of 7pke by Molmil](/molmil-images/mine/7pke) | C-reactive protein pentamer at pH 7.5 with phosphocholine ligand | Descriptor: | C-reactive protein, CALCIUM ION, PHOSPHOCHOLINE | Authors: | Noone, D.P, Sharp, T.H. | Deposit date: | 2021-08-25 | Release date: | 2021-12-22 | Last modified: | 2022-01-12 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Cryo-Electron Microscopy and Biochemical Analysis Offer Insights Into the Effects of Acidic pH, Such as Occur During Acidosis, on the Complement Binding Properties of C-Reactive Protein. Front Immunol, 12, 2021
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7PKH
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![BU of 7pkh by Molmil](/molmil-images/mine/7pkh) | C-reactive protein decamer at pH 5 with phosphocholine ligand | Descriptor: | C-reactive protein, CALCIUM ION, PHOSPHOCHOLINE | Authors: | Noone, D.P, Sharp, T.H. | Deposit date: | 2021-08-25 | Release date: | 2021-12-22 | Last modified: | 2022-01-12 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Cryo-Electron Microscopy and Biochemical Analysis Offer Insights Into the Effects of Acidic pH, Such as Occur During Acidosis, on the Complement Binding Properties of C-Reactive Protein. Front Immunol, 12, 2021
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7AZP
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![BU of 7azp by Molmil](/molmil-images/mine/7azp) | |
7AXZ
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![BU of 7axz by Molmil](/molmil-images/mine/7axz) | Ku70/80 complex apo form | Descriptor: | X-ray repair cross-complementing protein 5, X-ray repair cross-complementing protein 6 | Authors: | Hnizda, A, Tesina, P, Novak, P, Blundell, T.L. | Deposit date: | 2020-11-10 | Release date: | 2021-02-10 | Last modified: | 2024-05-01 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | SAP domain forms a flexible part of DNA aperture in Ku70/80. Febs J., 288, 2021
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6P6G
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![BU of 6p6g by Molmil](/molmil-images/mine/6p6g) | Co-crystal Structure of human SMYD3 with Isoxazole Amides Inhibitors | Descriptor: | 5-cyclopropyl-N-{1-[({trans-4-[(4,4,4-trifluorobutyl)amino]cyclohexyl}methyl)sulfonyl]piperidin-4-yl}-1,2-oxazole-3-carboxamide, GLYCEROL, Histone-lysine N-methyltransferase SMYD3, ... | Authors: | Elkins, P.A, Wang, L. | Deposit date: | 2019-06-03 | Release date: | 2020-01-15 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.59 Å) | Cite: | Discovery of Isoxazole Amides as Potent and Selective SMYD3 Inhibitors. Acs Med.Chem.Lett., 11, 2020
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7PRG
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![BU of 7prg by Molmil](/molmil-images/mine/7prg) | Joint X-ray/neutron room temperature structure of perdeuterated LecB lectin in complex with perdeuterated fucose | Descriptor: | CALCIUM ION, Fucose-binding lectin, SULFATE ION, ... | Authors: | Gajdos, L, Blakeley, M.P, Haertlein, M, Forsyth, T.V, Devos, J.M, Imberty, A. | Deposit date: | 2021-09-21 | Release date: | 2022-01-12 | Last modified: | 2024-05-01 | Method: | NEUTRON DIFFRACTION (1.85 Å), X-RAY DIFFRACTION | Cite: | Neutron crystallography reveals mechanisms used by Pseudomonas aeruginosa for host-cell binding. Nat Commun, 13, 2022
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8PFJ
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![BU of 8pfj by Molmil](/molmil-images/mine/8pfj) | fully recruited RfaH bound to E. coli transcription complex paused at ops site (not fully complementary scaffold; alternative state of RfaH) | Descriptor: | DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ... | Authors: | Zuber, P.K, Said, N, Hilal, T, Loll, B, Wahl, M.C, Knauer, S.H. | Deposit date: | 2023-06-16 | Release date: | 2024-04-24 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Concerted transformation of a hyper-paused transcription complex and its reinforcing protein. Nat Commun, 15, 2024
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7PSY
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![BU of 7psy by Molmil](/molmil-images/mine/7psy) | X-ray crystal structure of perdeuterated LecB lectin in complex with perdeuterated fucose | Descriptor: | CALCIUM ION, Fucose-binding lectin, SULFATE ION, ... | Authors: | Gajdos, L, Blakeley, M.P, Haertlein, M, Forsyth, T.V, Devos, J.M, Imberty, A. | Deposit date: | 2021-09-24 | Release date: | 2022-01-12 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (0.9 Å) | Cite: | Neutron crystallography reveals mechanisms used by Pseudomonas aeruginosa for host-cell binding. Nat Commun, 13, 2022
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8PEN
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![BU of 8pen by Molmil](/molmil-images/mine/8pen) | fully recruited RfaH bound to E. coli transcription complex paused at ops site (alternative state of RfaH) | Descriptor: | DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ... | Authors: | Zuber, P.K, Said, N, Hilal, T, Loll, B, Wahl, M.C, Knauer, S.H. | Deposit date: | 2023-06-14 | Release date: | 2024-04-24 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Concerted transformation of a hyper-paused transcription complex and its reinforcing protein. Nat Commun, 15, 2024
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8PIL
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![BU of 8pil by Molmil](/molmil-images/mine/8pil) | E. coli transcription complex paused at ops site and bound to RfaH and NusA | Descriptor: | DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ... | Authors: | Zuber, P.K, Said, N, Hilal, T, Loll, B, Wahl, M.C, Knauer, S.H. | Deposit date: | 2023-06-22 | Release date: | 2024-04-24 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Concerted transformation of a hyper-paused transcription complex and its reinforcing protein. Nat Commun, 15, 2024
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