6P4D
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![BU of 6p4d by Molmil](/molmil-images/mine/6p4d) | Hen egg lysozyme (HEL) containing three point mutations (HEL3x): R21Q, R73E, and D101R | Descriptor: | CHLORIDE ION, GLYCEROL, Lysozyme C, ... | Authors: | Langley, D.B, Christ, D. | Deposit date: | 2019-05-27 | Release date: | 2020-05-27 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.05 Å) | Cite: | Conformational diversity facilitates antibody mutation trajectories and discrimination between foreign and self-antigens. Proc.Natl.Acad.Sci.USA, 117, 2020
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6MPN
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![BU of 6mpn by Molmil](/molmil-images/mine/6mpn) | Racemic M2-TM I42E crystallized from racemic detergent | Descriptor: | Matrix protein 2, octyl beta-D-glucopyranoside | Authors: | Kreitler, D.F, Yao, Z, Mortenson, D.E, Forest, K.T, Gellman, S.H. | Deposit date: | 2018-10-07 | Release date: | 2019-01-30 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | A Hendecad Motif Is Preferred for Heterochiral Coiled-Coil Formation. J. Am. Chem. Soc., 141, 2019
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8C29
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![BU of 8c29 by Molmil](/molmil-images/mine/8c29) | Cryo-EM structure of photosystem II C2S2 supercomplex from Norway spruce (Picea abies) at 2.8 Angstrom resolution | Descriptor: | (1R,3R)-6-{(3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1S,4R,6R)-4-HYDROXY-2,2,6-TRIMETHYL-7-OXABICYCLO[4.1.0]HEPT-1-YL]-3,7,12,16-TETRAMETHYLOCTADECA-1,3,5,7,9,11,13,15,17-NONAENYLIDENE}-1,5,5-TRIMETHYLCYCLOHEXANE-1,3-DIOL, (2R)-2,5,7,8-TETRAMETHYL-2-[(4R,8R)-4,8,12-TRIMETHYLTRIDECYL]CHROMAN-6-OL, (3R,3'R,6S)-4,5-DIDEHYDRO-5,6-DIHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, ... | Authors: | Kopecny, D, Semchonok, D.A, Kouril, R. | Deposit date: | 2022-12-21 | Release date: | 2023-07-26 | Last modified: | 2023-08-30 | Method: | ELECTRON MICROSCOPY (2.785 Å) | Cite: | Cryo-EM structure of a plant photosystem II supercomplex with light-harvesting protein Lhcb8 and alpha-tocopherol. Nat.Plants, 9, 2023
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6N00
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![BU of 6n00 by Molmil](/molmil-images/mine/6n00) | Fluoroacetate dehalogenase, room temperature structure, using last 1 degree of total 3 degree oscillation and 144 kGy dose | Descriptor: | CALCIUM ION, Fluoroacetate dehalogenase | Authors: | Finke, A.D, Wierman, J.L, Pare-Labrosse, O, Sarrachini, A, Besaw, J, Mehrabi, P, Gruner, S.M, Miller, R.J.D. | Deposit date: | 2018-11-06 | Release date: | 2019-03-27 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Fixed-target serial oscillation crystallography at room temperature. IUCrJ, 6, 2019
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7SOC
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7N04
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![BU of 7n04 by Molmil](/molmil-images/mine/7n04) | Crystal structure of the apo F240 antibody fragment | Descriptor: | Fab F240 heavy chain, Fab F240 light chain, alpha-D-glucopyranose | Authors: | Cook, J.D, Lee, J.E. | Deposit date: | 2021-05-25 | Release date: | 2022-03-30 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.70000517 Å) | Cite: | Conformational plasticity of the HIV-1 gp41 immunodominant region is recognized by multiple non-neutralizing antibodies. Commun Biol, 5, 2022
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7N08
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8T8S
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![BU of 8t8s by Molmil](/molmil-images/mine/8t8s) | Sortilin-PGRN peptide complex | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, Paragranulin peptide, ... | Authors: | Srivastava, D.B, Srivastava, A, Cherf, G.M, Low, L.Y, Kannan, G. | Deposit date: | 2023-06-23 | Release date: | 2024-06-26 | Method: | X-RAY DIFFRACTION (2.99 Å) | Cite: | Structural studies of Sortilin-PGRN peptide complex To Be Published
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8T8R
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![BU of 8t8r by Molmil](/molmil-images/mine/8t8r) | Sortilin-PGRN peptide complex | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Paragranulin peptide, Sortilin, ... | Authors: | Srivastava, D.B, Srivastava, A, Cherf, G.M, Low, L.Y, Kannan, G. | Deposit date: | 2023-06-23 | Release date: | 2024-06-26 | Method: | X-RAY DIFFRACTION (2.87 Å) | Cite: | Structural studies of Sortilin-PGRN peptide complex To Be Published
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8EQI
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6YB7
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![BU of 6yb7 by Molmil](/molmil-images/mine/6yb7) | SARS-CoV-2 main protease with unliganded active site (2019-nCoV, coronavirus disease 2019, COVID-19). | Descriptor: | 3C-like proteinase, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE | Authors: | Owen, C.D, Lukacik, P, Strain-Damerell, C.M, Douangamath, A, Powell, A.J, Fearon, D, Brandao-Neto, J, Crawshaw, A.D, Aragao, D, Williams, M, Flaig, R, Hall, D.R, McAuley, K.E, Mazzorana, M, Stuart, D.I, von Delft, F, Walsh, M.A. | Deposit date: | 2020-03-16 | Release date: | 2020-03-25 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | COVID-19 main protease with unliganded active site To Be Published
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7N29
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![BU of 7n29 by Molmil](/molmil-images/mine/7n29) | Structure of NAD kinase | Descriptor: | NAD kinase 2, mitochondrial, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | Authors: | Du, J, Estrella, M.A, Jeffrey, P.D, Korennykh, A.V. | Deposit date: | 2021-05-28 | Release date: | 2022-05-04 | Last modified: | 2022-06-29 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structure of human NADK2 reveals atypical assembly and regulation of NAD kinases from animal mitochondria. Proc.Natl.Acad.Sci.USA, 119, 2022
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7N4S
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![BU of 7n4s by Molmil](/molmil-images/mine/7n4s) | Bruton's tyrosine kinase in complex with compound 65 | Descriptor: | (3R,3'R)-3-anilino-1'-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)[1,3'-bipiperidin]-2-one, Tyrosine-protein kinase BTK | Authors: | Metrick, C.M, Marcotte, D.J. | Deposit date: | 2021-06-04 | Release date: | 2022-05-18 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Utilizing structure based drug design and metabolic soft spot identification to optimize the in vitro potency and in vivo pharmacokinetic properties leading to the discovery of novel reversible Bruton's tyrosine kinase inhibitors. Bioorg.Med.Chem., 44, 2021
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7N4R
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![BU of 7n4r by Molmil](/molmil-images/mine/7n4r) | Bruton's tyrosine kinase in complex with compound 21 | Descriptor: | DIMETHYL SULFOXIDE, N-{2-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]ethyl}-N~2~-phenylglycinamide, Tyrosine-protein kinase BTK | Authors: | Metrick, C.M, Marcotte, D.J. | Deposit date: | 2021-06-04 | Release date: | 2022-05-18 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | Utilizing structure based drug design and metabolic soft spot identification to optimize the in vitro potency and in vivo pharmacokinetic properties leading to the discovery of novel reversible Bruton's tyrosine kinase inhibitors. Bioorg.Med.Chem., 44, 2021
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7N4Q
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![BU of 7n4q by Molmil](/molmil-images/mine/7n4q) | Bruton's tyrosine kinase in complex with compound 45 | Descriptor: | (2R)-2-(3-chloro-5-fluoroanilino)-2-cyclopropyl-N-[(3R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]acetamide, Tyrosine-protein kinase BTK | Authors: | Metrick, C.M, Marcotte, D.J. | Deposit date: | 2021-06-04 | Release date: | 2022-05-18 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Utilizing structure based drug design and metabolic soft spot identification to optimize the in vitro potency and in vivo pharmacokinetic properties leading to the discovery of novel reversible Bruton's tyrosine kinase inhibitors. Bioorg.Med.Chem., 44, 2021
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7AUX
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![BU of 7aux by Molmil](/molmil-images/mine/7aux) | Crystal structure of OXA-48 beta-lactamase in the complex with the inhbitor ID2 | Descriptor: | 6-(4-carboxyphenyl)-3-(4-ethylphenyl)-2~{H}-pyrazolo[3,4-b]pyridine-4-carboxylic acid, Beta-lactamase, CHLORIDE ION | Authors: | Pochetti, G, Montanari, R, Capelli, D, Garofalo, B, Ombrato, R. | Deposit date: | 2020-11-03 | Release date: | 2021-07-21 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Discovery of Novel Chemical Series of OXA-48 beta-Lactamase Inhibitors by High-Throughput Screening. Pharmaceuticals, 14, 2021
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7AW5
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![BU of 7aw5 by Molmil](/molmil-images/mine/7aw5) | Crystal structure of OXA-48 beta-lactamase in the complex with the inhibitor ID3 | Descriptor: | 4-[(~{E})-[3-(4-chlorophenyl)-5-sulfanylidene-1~{H}-1,2,4-triazol-4-yl]iminomethyl]benzoic acid, Beta-lactamase, CHLORIDE ION | Authors: | Pochetti, G, Montanari, R, Capelli, D, Garofalo, B, Ombrato, R. | Deposit date: | 2020-11-06 | Release date: | 2021-07-21 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Discovery of Novel Chemical Series of OXA-48 beta-Lactamase Inhibitors by High-Throughput Screening. Pharmaceuticals, 14, 2021
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6MXZ
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![BU of 6mxz by Molmil](/molmil-images/mine/6mxz) | Structure of 53BP1 Tudor domains in complex with small molecule UNC3474 | Descriptor: | FORMIC ACID, N-[3-(tert-butylamino)propyl]-3-(propan-2-yl)benzamide, TP53-binding protein 1 | Authors: | Cui, G, Botuyan, M.V, Schuller, D.J, Mer, G. | Deposit date: | 2018-10-31 | Release date: | 2019-11-27 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | An autoinhibited state of 53BP1 revealed by small molecule antagonists and protein engineering. Nat Commun, 14, 2023
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8SFJ
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![BU of 8sfj by Molmil](/molmil-images/mine/8sfj) | WT CRISPR-Cas12a with a 10bp R-loop | Descriptor: | CRISPR-associated endonuclease Cas12a, DNA (5'-D(P*CP*AP*CP*TP*TP*AP*TP*CP*AP*CP*TP*AP*AP*AP*AP*GP*AP*TP*CP*GP*GP*AP*AP*G)-3'), DNA (5'-D(P*CP*TP*TP*CP*CP*GP*AP*TP*CP*TP*TP*TP*TP*AP*GP*TP*GP*AP*T)-3'), ... | Authors: | Strohkendl, I, Taylor, D.W. | Deposit date: | 2023-04-11 | Release date: | 2024-07-03 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | WT CRISPR-Cas12a with a 10bp R-loop To Be Published
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8SFH
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8SFL
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6N03
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![BU of 6n03 by Molmil](/molmil-images/mine/6n03) | CO-bound Sperm Whale Myoglobin, room temperature structure, last 2 degrees of 5 degree total oscillation and 160 kGy dose | Descriptor: | CARBON MONOXIDE, Myoglobin, CO-bound, ... | Authors: | Finke, A.D, Wierman, J.L, Pare-Labrosse, O, Sarrachini, A, Besaw, J, Mehrabi, P, Gruner, S.M, Miller, R.J.D. | Deposit date: | 2018-11-06 | Release date: | 2019-03-27 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Fixed-target serial oscillation crystallography at room temperature. IUCrJ, 6, 2019
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6N8W
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6N9G
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![BU of 6n9g by Molmil](/molmil-images/mine/6n9g) | Crystal Structure of RGS7-Gbeta5 dimer | Descriptor: | Guanine nucleotide-binding protein subunit beta-5, Regulator of G-protein signaling 7 | Authors: | Patil, D.N, Rangarajan, E, Izard, T, Martemyanov, K.A. | Deposit date: | 2018-12-03 | Release date: | 2019-01-09 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.129 Å) | Cite: | Structural organization of a major neuronal G protein regulator, the RGS7-G beta 5-R7BP complex. Elife, 7, 2018
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8F54
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