7P3C
 
 | | EED in complex with compound 4 | | Descriptor: | N-(2,3-dihydro-1-benzofuran-4-ylmethyl)-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine, N-[5-[(5-fluoranyl-2,3-dihydro-1-benzofuran-4-yl)methylamino]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]benzamide, Polycomb protein EED | | Authors: | Read, J.A. | | Deposit date: | 2021-07-07 | | Release date: | 2021-12-08 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.61 Å) | | Cite: | Diverse, Potent, and Efficacious Inhibitors That Target the EED Subunit of the Polycomb Repressive Complex 2 Methyltransferase.
J.Med.Chem., 64, 2021
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7P3G
 | | EED in complex with compound 4 | | Descriptor: | N-(2,3-dihydro-1-benzofuran-4-ylmethyl)-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine, N5-[(5-fluoranyl-2,3-dihydro-1-benzofuran-4-yl)methyl]-N8-methyl-N8-(1-methylpyrazol-3-yl)-[1,2,4]triazolo[4,3-c]pyrimidine-5,8-diamine, Polycomb protein EED | | Authors: | Read, J.A. | | Deposit date: | 2021-07-07 | | Release date: | 2021-12-08 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.39 Å) | | Cite: | Diverse, Potent, and Efficacious Inhibitors That Target the EED Subunit of the Polycomb Repressive Complex 2 Methyltransferase.
J.Med.Chem., 64, 2021
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8C1U
 | | SFX structure of D.m(6-4)photolyase | | Descriptor: | Cryptochrome-1, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL | | Authors: | Cellini, A, Kumar, M, Nimmrich, A, Mutisya, J, Furrer, A, Beale, E.V, Carrillo, M, Malla, T.N, Maj, P, Dworkowskic, F, Cirelli, C, Ozerovi, D, Bacellar, C, Strandfuss, J, Weinert, T, Ihalainen, J.A, Yuan Wahlgren, W, Westenhoff, S. | | Deposit date: | 2022-12-21 | | Release date: | 2023-11-01 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Directed ultrafast conformational changes accompany electron transfer in a photolyase as resolved by serial crystallography.
Nat.Chem., 16, 2024
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8C69
 | | Light SFX structure of D.m(6-4)photolyase at 100 microsecond time delay | | Descriptor: | Cryptochrome-1, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL | | Authors: | Cellini, A, Kumar, M, Nimmrich, A, Mutisya, J, Furrer, A, Beale, E.V, Carrillo, M, Malla, T.N, Maj, P, Dworkowskic, F, Cirelli, C, Ozerovi, D, Bacellar, C, Strandfuss, J, Weinert, T, Ihalainen, J.A, Yuan Wahlgren, W, Westenhoff, S. | | Deposit date: | 2023-01-11 | | Release date: | 2023-11-01 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Directed ultrafast conformational changes accompany electron transfer in a photolyase as resolved by serial crystallography.
Nat.Chem., 16, 2024
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8C6A
 | | Light SFX structure of D.m(6-4)photolyase at 1ps time delay | | Descriptor: | Cryptochrome-1, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL | | Authors: | Cellini, A, Kumar, M, Nimmrich, A, Mutisya, J, Furrer, A, Beale, E.V, Carrillo, M, Malla, T.N, Maj, P, Dworkowskic, F, Cirelli, C, Ozerovi, D, Bacellar, C, Strandfuss, J, Weinert, T, Ihalainen, J.A, Yuan Wahlgren, W, Westenhoff, S. | | Deposit date: | 2023-01-11 | | Release date: | 2023-11-01 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Directed ultrafast conformational changes accompany electron transfer in a photolyase as resolved by serial crystallography.
Nat.Chem., 16, 2024
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8C6B
 | | Light SFX structure of D.m(6-4)photolyase at 20ps time delay | | Descriptor: | Cryptochrome-1, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL | | Authors: | Cellini, A, Kumar, M, Nimmrich, A, Mutisya, J, Furrer, A, Beale, E.V, Carrillo, M, Malla, T.N, Maj, P, Dworkowskic, F, Cirelli, C, Ozerovi, D, Bacellar, C, Strandfuss, J, Weinert, T, Ihalainen, J.A, Yuan Wahlgren, W, Westenhoff, S. | | Deposit date: | 2023-01-11 | | Release date: | 2023-11-01 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Directed ultrafast conformational changes accompany electron transfer in a photolyase as resolved by serial crystallography.
Nat.Chem., 16, 2024
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8C6F
 | | Light SFX structure of D.m(6-4)photolyase at 400fs time delay | | Descriptor: | Cryptochrome-1, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL | | Authors: | Cellini, A, Kumar, M, Nimmrich, A, Mutisya, J, Furrer, A, Beale, E.V, Carrillo, M, Malla, T.N, Maj, P, Dworkowskic, F, Cirelli, C, Ozerovi, D, Bacellar, C, Strandfuss, J, Weinert, T, Ihalainen, J.A, Yuan Wahlgren, W, Westenhoff, S. | | Deposit date: | 2023-01-11 | | Release date: | 2023-11-01 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Directed ultrafast conformational changes accompany electron transfer in a photolyase as resolved by serial crystallography.
Nat.Chem., 16, 2024
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6SLG
 | | HUMAN ERK2 WITH ERK1/2 INHIBITOR, AZD0364. | | Descriptor: | (6~{R})-7-[[3,4-bis(fluoranyl)phenyl]methyl]-6-(methoxymethyl)-2-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-5,6-dihydroimidazo[1,2-a]pyrazin-8-one, 1,2-ETHANEDIOL, ERK-tide, ... | | Authors: | Breed, J, Phillips, C. | | Deposit date: | 2019-08-19 | | Release date: | 2019-11-20 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (1.33 Å) | | Cite: | Discovery of a Potent and Selective Oral Inhibitor of ERK1/2 (AZD0364) That Is Efficacious in Both Monotherapy and Combination Therapy in Models of Nonsmall Cell Lung Cancer (NSCLC).
J.Med.Chem., 62, 2019
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7AT6
 | | Structure of thaumatin collected by femtosecond serial crystallography on a COC membrane | | Descriptor: | L(+)-TARTARIC ACID, R-1,2-PROPANEDIOL, SODIUM ION, ... | | Authors: | Martiel, I, Marsh, M, Vera, L, Huang, C.Y, Olieric, V, Leonarski, P, Nass, K, Padeste, C, Karpik, A, Wang, M, Pedrini, B. | | Deposit date: | 2020-10-29 | | Release date: | 2021-11-24 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.46 Å) | | Cite: | Commissioning results from the SwissMX instrument for fixed target macromolecular crystallography at SwissFEL
To Be Published
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5EHR
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8C6C
 | | Light SFX structure of D.m(6-4)photolyase at 300ps time delay | | Descriptor: | Cryptochrome-1, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL | | Authors: | Cellini, A, Kumar, M, Nimmrich, A, Mutisya, J, Furrer, A, Beale, E.V, Carrillo, M, Malla, T.N, Maj, P, Dworkowskic, F, Cirelli, C, Ozerovi, D, Bacellar, C, Strandfuss, J, Weinert, T, Ihalainen, J.A, Yuan Wahlgren, W, Westenhoff, S. | | Deposit date: | 2023-01-11 | | Release date: | 2023-11-01 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Directed ultrafast conformational changes accompany electron transfer in a photolyase as resolved by serial crystallography.
Nat.Chem., 16, 2024
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8C6H
 | | Light SFX structure of D.m(6-4)photolyase at 2ps time delay | | Descriptor: | Cryptochrome-1, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL | | Authors: | Cellini, A, Kumar, M, Nimmrich, A, Mutisya, J, Furrer, A, Beale, E.V, Carrillo, M, Malla, T.N, Maj, P, Dworkowskic, F, Cirelli, C, Ozerovi, D, Bacellar, C, Strandfuss, J, Weinert, T, Ihalainen, J.A, Yuan Wahlgren, W, Westenhoff, S. | | Deposit date: | 2023-01-11 | | Release date: | 2023-11-01 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Directed ultrafast conformational changes accompany electron transfer in a photolyase as resolved by serial crystallography.
Nat.Chem., 16, 2024
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4XXB
 | | Crystal structure of human MDM2-RPL11 | | Descriptor: | 60S ribosomal protein L11, BETA-MERCAPTOETHANOL, E3 ubiquitin-protein ligase Mdm2, ... | | Authors: | Zheng, J, Chen, Z. | | Deposit date: | 2015-01-30 | | Release date: | 2015-08-12 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structure of human MDM2 complexed with RPL11 reveals the molecular basis of p53 activation
Genes Dev., 29, 2015
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8P9E
 | | Crystal structure of wild type p63-p73 heterotetramer (tetramerisation domain) in complex with darpin 1810 F11 | | Descriptor: | Darpin 1810 F11, GLYCEROL, Isoform 2 of Tumor protein 63, ... | | Authors: | Chaikuad, A, Strubel, A, Doetsch, V, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2023-06-05 | | Release date: | 2023-11-08 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | DARPins detect the formation of hetero-tetramers of p63 and p73 in epithelial tissues and in squamous cell carcinoma.
Cell Death Dis, 14, 2023
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3KY9
 | | Autoinhibited Vav1 | | Descriptor: | Proto-oncogene vav, ZINC ION | | Authors: | Tomchick, D.R, Rosen, M.K, Machius, M, Yu, B. | | Deposit date: | 2009-12-04 | | Release date: | 2010-02-23 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.731 Å) | | Cite: | Structural and Energetic Mechanisms of Cooperative Autoinhibition and Activation of Vav1
Cell(Cambridge,Mass.), 140, 2010
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5Z5S
 | | Crystal structure of the PPARgamma-LBD complexed with compound 13ab | | Descriptor: | 3-{[6-(4-chloro-3-fluorophenoxy)-1-methyl-1H-benzimidazol-2-yl]methoxy}benzoic acid, CHLORIDE ION, Peptide from Peroxisome proliferator-activated receptor gamma coactivator 1-alpha, ... | | Authors: | Matsui, Y, Hanzawa, H. | | Deposit date: | 2018-01-19 | | Release date: | 2018-10-17 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Discovery of DS-6930, a potent selective PPAR gamma modulator. Part I: Lead identification.
Bioorg. Med. Chem., 26, 2018
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5Z6S
 | | Crystal structure of the PPARgamma-LBD complexed with compound DS-6930 | | Descriptor: | 3-[[6-(3,5-dimethylpyridin-2-yl)oxy-1-methyl-benzimidazol-2-yl]methoxy]benzoic acid, CHLORIDE ION, Peptide from Peroxisome proliferator-activated receptor gamma coactivator 1-alpha, ... | | Authors: | Matsui, Y, Hanzawa, H. | | Deposit date: | 2018-01-25 | | Release date: | 2018-10-17 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Discovery of DS-6930, a potent selective PPAR gamma modulator. Part II: Lead optimization.
Bioorg. Med. Chem., 26, 2018
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8OKA
 | | Human Mitochondrial Lon Y394F Mutant ADP Bound | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Lon protease homolog, mitochondrial | | Authors: | Kereiche, S, Bauer, J.A, Matyas, P, Novacek, J, Kutejova, E. | | Deposit date: | 2023-03-28 | | Release date: | 2024-04-10 | | Last modified: | 2024-05-15 | | Method: | ELECTRON MICROSCOPY (3.89 Å) | | Cite: | Polyphosphate and tyrosine phosphorylation in the N-terminal domain of the human mitochondrial Lon protease disrupts its functions.
Sci Rep, 14, 2024
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8OM7
 | | Human Mitochondrial Lon Y186E Mutant ADP Bound | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Lon protease homolog, mitochondrial | | Authors: | Kereiche, S, Bauer, J.A, Matyas, P, Novacek, J, Kutejova, E. | | Deposit date: | 2023-03-31 | | Release date: | 2024-04-10 | | Last modified: | 2024-05-15 | | Method: | ELECTRON MICROSCOPY (3.74 Å) | | Cite: | Polyphosphate and tyrosine phosphorylation in the N-terminal domain of the human mitochondrial Lon protease disrupts its functions.
Sci Rep, 14, 2024
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8OJL
 | | Human Mitochondrial Lon Y394E Mutant ADP Bound | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Lon protease homolog, mitochondrial | | Authors: | Kereiche, S, Bauer, J.A, Matyas, P, Novacek, J, Kutejova, E. | | Deposit date: | 2023-03-24 | | Release date: | 2024-04-03 | | Last modified: | 2024-05-15 | | Method: | ELECTRON MICROSCOPY (2.88 Å) | | Cite: | Polyphosphate and tyrosine phosphorylation in the N-terminal domain of the human mitochondrial Lon protease disrupts its functions.
Sci Rep, 14, 2024
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6ZXI
 | | Crystal Structure of the OXA-48 Carbapenem-Hydrolyzing Class D beta-Lactamase in Complex with the DBO inhibitor ANT3310 | | Descriptor: | 1,2-ETHANEDIOL, Beta-lactamase, CARBON DIOXIDE, ... | | Authors: | Docquier, J.D, Pozzi, C, De Luca, F, Benvenuti, M, Mangani, S. | | Deposit date: | 2020-07-29 | | Release date: | 2021-08-11 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Discovery of ANT3310 , a Novel Broad-Spectrum Serine beta-Lactamase Inhibitor of the Diazabicyclooctane Class, Which Strongly Potentiates Meropenem Activity against Carbapenem-Resistant Enterobacterales and Acinetobacter baumannii.
J.Med.Chem., 63, 2020
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8C0H
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8P1A
 | | Lysozyme structure solved from serial crystallography data collected at 2 kHz for 5 seconds with JUNGFRAU detector at MAXIV | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Lysozyme C | | Authors: | Nan, J, Leonarski, F, Furrer, A, Dworkowski, F. | | Deposit date: | 2023-05-11 | | Release date: | 2023-10-18 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Kilohertz serial crystallography with the JUNGFRAU detector at a fourth-generation synchrotron source.
Iucrj, 10, 2023
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8P1D
 | | Lysozyme structure solved from serial crystallography data collected at 100 Hz with JUNGFRAU detector at MAXIV | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Lysozyme C, ... | | Authors: | Nan, J, Leonarski, F, Furrer, A, Dworkowski, F. | | Deposit date: | 2023-05-11 | | Release date: | 2023-10-18 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Kilohertz serial crystallography with the JUNGFRAU detector at a fourth-generation synchrotron source.
Iucrj, 10, 2023
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8HEI
 | | Crystal structure of CTSB in complex with E64d | | Descriptor: | Cathepsin B, GLYCEROL, ethyl (3S)-3-hydroxy-4-({(2S)-4-methyl-1-[(3-methylbutyl)amino]-1-oxopentan-2-yl}amino)-4-oxobutanoate | | Authors: | Wang, H, Li, D, Sun, L, Yang, H. | | Deposit date: | 2022-11-08 | | Release date: | 2023-12-13 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Structure-based discovery of dual pathway inhibitors for SARS-CoV-2 entry.
Nat Commun, 14, 2023
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