9EMU
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![BU of 9emu by Molmil](/molmil-images/mine/9emu) | RosC-8-demethyl-8-amino-FMN - Phosphate complex | Descriptor: | 1-deoxy-1-[8-(dimethylamino)-7-methyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl]-D-ribitol, GLYCEROL, PHOSPHATE ION, ... | Authors: | Ermler, U, Mack, M, Demmer, U. | Deposit date: | 2024-03-11 | Release date: | 2024-09-04 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | The Phosphatase RosC from Streptomyces davaonensis is Used for Roseoflavin Biosynthesis and has Evolved to Largely Prevent Dephosphorylation of the Important Cofactor Riboflavin-5'-phosphate. J.Mol.Biol., 436, 2024
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7QEE
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![BU of 7qee by Molmil](/molmil-images/mine/7qee) | SN243 mutant D415N bound to para-nitrophenyl-Beta-D-glucuronide | Descriptor: | 4-nitrophenyl beta-D-glucopyranosiduronic acid, SN243, SULFATE ION, ... | Authors: | Neun, S, Brear, P, Campbell, E, Omari, K, Wagner, O, Hyvonen, M, Hollfelder, F. | Deposit date: | 2021-12-02 | Release date: | 2022-11-16 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.374 Å) | Cite: | Functional metagenomic screening identifies an unexpected beta-glucuronidase. Nat.Chem.Biol., 18, 2022
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5TRU
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![BU of 5tru by Molmil](/molmil-images/mine/5tru) | Structure of the first-in-class checkpoint inhibitor Ipilimumab bound to human CTLA-4 | Descriptor: | Cytotoxic T-lymphocyte protein 4, Ipilimumab Fab heavy chain, Ipilimumab Fab light chain | Authors: | Ramagopal, U.A, Liu, W, Garrett-Thomson, S.C, Yan, Q, Srinivasan, M, Wong, S.C, Bell, A, Mankikar, S, Rangan, V.S, Deshpande, S, Bonanno, J.B, Korman, A.J, Almo, S.C. | Deposit date: | 2016-10-27 | Release date: | 2017-05-10 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structural basis for cancer immunotherapy by the first-in-class checkpoint inhibitor ipilimumab. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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7QM0
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![BU of 7qm0 by Molmil](/molmil-images/mine/7qm0) | Endothiapepsin in 10% DMSO at 298 K | Descriptor: | Endothiapepsin | Authors: | Huang, C.Y, Aumonier, S, Wang, M. | Deposit date: | 2021-12-20 | Release date: | 2022-08-17 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Probing ligand binding of endothiapepsin by `temperature-resolved' macromolecular crystallography. Acta Crystallogr D Struct Biol, 78, 2022
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7QN1
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![BU of 7qn1 by Molmil](/molmil-images/mine/7qn1) | Endothiapepsin in complex with compound TL00150 at room-temperature (temperature ramping up structure 11) | Descriptor: | 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, DIMETHYL SULFOXIDE, Endothiapepsin, ... | Authors: | Huang, C.Y, Aumonier, S, Wang, M. | Deposit date: | 2021-12-20 | Release date: | 2022-08-17 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Probing ligand binding of endothiapepsin by `temperature-resolved' macromolecular crystallography. Acta Crystallogr D Struct Biol, 78, 2022
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7QM4
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![BU of 7qm4 by Molmil](/molmil-images/mine/7qm4) | Endothiapepsin in complex with compound TL00150 in 8% DMSO at 298 K | Descriptor: | 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, DIMETHYL SULFOXIDE, Endothiapepsin, ... | Authors: | Huang, C.Y, Aumonier, S, Wang, M. | Deposit date: | 2021-12-20 | Release date: | 2022-08-17 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Probing ligand binding of endothiapepsin by `temperature-resolved' macromolecular crystallography. Acta Crystallogr D Struct Biol, 78, 2022
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5FW1
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![BU of 5fw1 by Molmil](/molmil-images/mine/5fw1) | Crystal structure of SpyCas9 variant VQR bound to sgRNA and TGAG PAM target DNA | Descriptor: | CRISPR-ASSOCIATED ENDONUCLEASE CAS9/CSN1, MAGNESIUM ION, NON-TARGET DNA STRAND, ... | Authors: | Anders, C, Bargsten, K, Jinek, M. | Deposit date: | 2016-02-11 | Release date: | 2016-04-20 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.499 Å) | Cite: | Structural Plasticity of Pam Recognition by Engineered Variants of the RNA-Guided Endonuclease Cas9. Mol.Cell, 61, 2016
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3MQM
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![BU of 3mqm by Molmil](/molmil-images/mine/3mqm) | Crystal Structure of the Bromodomain of human ASH1L | Descriptor: | Probable histone-lysine N-methyltransferase ASH1L | Authors: | Filippakopoulos, P, Picaud, S, Keates, T, Felletar, I, Vollmar, M, Chaikuad, A, Krojer, T, Canning, P, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2010-04-28 | Release date: | 2010-05-19 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.54 Å) | Cite: | Histone recognition and large-scale structural analysis of the human bromodomain family. Cell(Cambridge,Mass.), 149, 2012
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9F7K
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![BU of 9f7k by Molmil](/molmil-images/mine/9f7k) | Glutathione transferase epsilon 1 from Drosophila melanogaster in complex with glutathione | Descriptor: | GH14654p, GLUTATHIONE, GLYCEROL, ... | Authors: | Didierjean, C, Schwartz, M, Neiers, F. | Deposit date: | 2024-05-03 | Release date: | 2024-09-04 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural and Thermodynamic Insights into Dimerization Interfaces of Drosophila Glutathione Transferases. Biomolecules, 14, 2024
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5TSO
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![BU of 5tso by Molmil](/molmil-images/mine/5tso) | |
9FCJ
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![BU of 9fcj by Molmil](/molmil-images/mine/9fcj) | USP1 bound to ML323 and ubiquitin conjugated to FANCD2 (ordered subset, focused refinement) | Descriptor: | 5-methyl-2-(2-propan-2-ylphenyl)-~{N}-[[4-(1,2,3-triazol-1-yl)phenyl]methyl]pyrimidin-4-amine, Polyubiquitin-C, Ubiquitin carboxyl-terminal hydrolase 1, ... | Authors: | Rennie, M.L, Gundogdu, M, Walden, H. | Deposit date: | 2024-05-15 | Release date: | 2024-09-04 | Method: | ELECTRON MICROSCOPY (2.7 Å) | Cite: | Structural and Biochemical Insights into the Mechanism of Action of the Clinical USP1 Inhibitor, KSQ-4279. J.Med.Chem., 2024
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7QM3
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![BU of 7qm3 by Molmil](/molmil-images/mine/7qm3) | Endothiapepsin in complex with compound TL00150 in 5% DMSO at 298 K | Descriptor: | 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, DIMETHYL SULFOXIDE, Endothiapepsin, ... | Authors: | Huang, C.Y, Aumonier, S, Wang, M. | Deposit date: | 2021-12-20 | Release date: | 2022-08-17 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Probing ligand binding of endothiapepsin by `temperature-resolved' macromolecular crystallography. Acta Crystallogr D Struct Biol, 78, 2022
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7QM6
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![BU of 7qm6 by Molmil](/molmil-images/mine/7qm6) | Endothiapepsin in complex with compound TL00150 in 15% DMSO at 298 K | Descriptor: | 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, DIMETHYL SULFOXIDE, Endothiapepsin, ... | Authors: | Huang, C.Y, Aumonier, S, Wang, M. | Deposit date: | 2021-12-20 | Release date: | 2022-08-17 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | Probing ligand binding of endothiapepsin by `temperature-resolved' macromolecular crystallography. Acta Crystallogr D Struct Biol, 78, 2022
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7QM7
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![BU of 7qm7 by Molmil](/molmil-images/mine/7qm7) | Endothiapepsin in complex with compound TL00150 in 20% DMSO at 298 K | Descriptor: | 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, DIMETHYL SULFOXIDE, Endothiapepsin, ... | Authors: | Huang, C.Y, Aumonier, S, Wang, M. | Deposit date: | 2021-12-20 | Release date: | 2022-08-17 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Probing ligand binding of endothiapepsin by `temperature-resolved' macromolecular crystallography. Acta Crystallogr D Struct Biol, 78, 2022
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5F7G
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![BU of 5f7g by Molmil](/molmil-images/mine/5f7g) | |
9J4J
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![BU of 9j4j by Molmil](/molmil-images/mine/9j4j) | Crystal structure of GH9l Inulin fructotransferases(IFTase)incomplex with nystose(F3) | Descriptor: | DFA-III-forming inulin fructotransferase, beta-D-fructofuranose, beta-D-fructofuranose-(1-1)-beta-D-fructofuranose, ... | Authors: | Chen, G, Wang, Z.X, Yang, Y.Q, Li, Y.G, Zhang, T, Ouyang, S.Y, Zhang, L, Chen, Y, Ruan, X.L, Miao, M. | Deposit date: | 2024-08-09 | Release date: | 2024-09-04 | Method: | X-RAY DIFFRACTION (2.803 Å) | Cite: | Elucidation of the mechanism underlying the sequential catalysis of inulin by fructotransferase. Int.J.Biol.Macromol., 2024
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7QM9
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![BU of 7qm9 by Molmil](/molmil-images/mine/7qm9) | Endothiapepsin in complex with compound TL00150 at room-temperature (temperature ramping down structure 1) | Descriptor: | 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, DIMETHYL SULFOXIDE, Endothiapepsin, ... | Authors: | Huang, C.Y, Aumonier, S, Wang, M. | Deposit date: | 2021-12-20 | Release date: | 2022-08-17 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Probing ligand binding of endothiapepsin by `temperature-resolved' macromolecular crystallography. Acta Crystallogr D Struct Biol, 78, 2022
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7QM8
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![BU of 7qm8 by Molmil](/molmil-images/mine/7qm8) | Endothiapepsin in complex with compound TL00150 in 40% DMSO at 298 K | Descriptor: | 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, DIMETHYL SULFOXIDE, Endothiapepsin, ... | Authors: | Huang, C.Y, Aumonier, S, Wang, M. | Deposit date: | 2021-12-20 | Release date: | 2022-08-17 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Probing ligand binding of endothiapepsin by `temperature-resolved' macromolecular crystallography. Acta Crystallogr D Struct Biol, 78, 2022
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9J4I
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![BU of 9j4i by Molmil](/molmil-images/mine/9j4i) | Crystal structure of GH9l Inulin fructotransferases (IFTase) in compex with fruetosyl nystose (GF4) | Descriptor: | DFA-III-forming inulin fructotransferase, beta-D-fructofuranose-(2-1)-beta-D-fructofuranose-(2-1)-[alpha-D-glucopyranose-(1-2)]beta-D-fructofuranose, beta-D-fructofuranose-(2-1)-beta-D-fructofuranose-(2-1)-beta-D-fructofuranose-(2-1)-[alpha-D-glucopyranose-(1-2)]beta-D-fructofuranose | Authors: | Chen, G, Wang, Z.X, Yang, Y.Q, Li, Y.G, Zhang, T, Ouyang, S.Y, Zhang, L, Chen, Y, Ruan, X.L, Miao, M. | Deposit date: | 2024-08-09 | Release date: | 2024-09-04 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Elucidation of the mechanism underlying the sequential catalysis of inulin by fructotransferase. Int.J.Biol.Macromol., 2024
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7QMY
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![BU of 7qmy by Molmil](/molmil-images/mine/7qmy) | Endothiapepsin in complex with compound TL00150 at room-temperature (temperature ramping up structure 8) | Descriptor: | 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, DIMETHYL SULFOXIDE, Endothiapepsin, ... | Authors: | Huang, C.Y, Aumonier, S, Wang, M. | Deposit date: | 2021-12-20 | Release date: | 2022-08-17 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Probing ligand binding of endothiapepsin by `temperature-resolved' macromolecular crystallography. Acta Crystallogr D Struct Biol, 78, 2022
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9J4K
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![BU of 9j4k by Molmil](/molmil-images/mine/9j4k) | Crystal structure of GH9l Inulinfructotransferases (IFTase) in complex with GF2 | Descriptor: | DFA-III-forming inulin fructotransferase, beta-D-fructofuranose-(2-1)-beta-D-fructofuranose-(2-1)-alpha-D-glucopyranose | Authors: | Chen, G, Wang, Z.X, Yang, Y.Q, Li, Y.G, Zhang, T, Ouyang, S.Y, Zhang, L, Chen, Y, Ruan, X.L, Miao, M. | Deposit date: | 2024-08-09 | Release date: | 2024-09-04 | Method: | X-RAY DIFFRACTION (2.201 Å) | Cite: | Elucidation of the mechanism underlying the sequential catalysis of inulin by fructotransferase. Int.J.Biol.Macromol., 2024
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7QMA
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![BU of 7qma by Molmil](/molmil-images/mine/7qma) | Endothiapepsin in complex with compound TL00150 at room-temperature (temperature ramping down structure 2) | Descriptor: | 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, DIMETHYL SULFOXIDE, Endothiapepsin, ... | Authors: | Huang, C.Y, Aumonier, S, Wang, M. | Deposit date: | 2021-12-20 | Release date: | 2022-08-17 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Probing ligand binding of endothiapepsin by `temperature-resolved' macromolecular crystallography. Acta Crystallogr D Struct Biol, 78, 2022
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7QMB
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![BU of 7qmb by Molmil](/molmil-images/mine/7qmb) | Endothiapepsin in complex with compound TL00150 at room-temperature (temperature ramping down structure 3) | Descriptor: | 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, DIMETHYL SULFOXIDE, Endothiapepsin, ... | Authors: | Huang, C.Y, Aumonier, S, Wang, M. | Deposit date: | 2021-12-20 | Release date: | 2022-08-17 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Probing ligand binding of endothiapepsin by `temperature-resolved' macromolecular crystallography. Acta Crystallogr D Struct Biol, 78, 2022
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7QPO
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![BU of 7qpo by Molmil](/molmil-images/mine/7qpo) | |
7QMC
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![BU of 7qmc by Molmil](/molmil-images/mine/7qmc) | Endothiapepsin in complex with compound TL00150 at room-temperature (temperature ramping down structure 4) | Descriptor: | 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, DIMETHYL SULFOXIDE, Endothiapepsin, ... | Authors: | Huang, C.Y, Aumonier, S, Wang, M. | Deposit date: | 2021-12-20 | Release date: | 2022-08-17 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Probing ligand binding of endothiapepsin by `temperature-resolved' macromolecular crystallography. Acta Crystallogr D Struct Biol, 78, 2022
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