5FBB
| S1 nuclease from Aspergillus oryzae in complex with phosphate and adenosine 5'-monophosphate | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-{2-[2-2-(METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, ... | Authors: | Koval, T, Oestergaard, L.H, Dohnalek, J. | Deposit date: | 2015-12-14 | Release date: | 2016-12-28 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structural and Catalytic Properties of S1 Nuclease from Aspergillus oryzae Responsible for Substrate Recognition, Cleavage, Non-Specificity, and Inhibition. PLoS ONE, 11, 2016
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6TFV
| Crystal Structure of EGFR T790M/V948R in Complex with Covalent Pyrrolopyrimidine 18b | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Epidermal growth factor receptor, ... | Authors: | Niggenaber, J, Mueller, M.P, Rauh, D. | Deposit date: | 2019-11-14 | Release date: | 2020-09-30 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Targeting Her2-insYVMA with Covalent Inhibitors-A Focused Compound Screening and Structure-Based Design Approach. J.Med.Chem., 63, 2020
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6TG1
| Crystal Structure of EGFR T790M/V948R in Complex with Covalent Pyrrolopyrimidine 21b | Descriptor: | 1,2-ETHANEDIOL, Epidermal growth factor receptor, SODIUM ION, ... | Authors: | Niggenaber, J, Mueller, M.P, Rauh, D. | Deposit date: | 2019-11-14 | Release date: | 2020-09-30 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Targeting Her2-insYVMA with Covalent Inhibitors-A Focused Compound Screening and Structure-Based Design Approach. J.Med.Chem., 63, 2020
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8BYP
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6TFU
| Crystal Structure of EGFR T790M/V948R in Complex with Covalent Pyrrolopyrimidine 14d | Descriptor: | Epidermal growth factor receptor, SULFATE ION, ~{N}-[3-[4-[[1-(phenylmethyl)indazol-5-yl]amino]-7~{H}-pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]propanamide | Authors: | Niggenaber, J, Mueller, M.P, Rauh, D. | Deposit date: | 2019-11-14 | Release date: | 2020-09-30 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Targeting Her2-insYVMA with Covalent Inhibitors-A Focused Compound Screening and Structure-Based Design Approach. J.Med.Chem., 63, 2020
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6TG0
| Crystal Structure of EGFR T790M/V948R in Complex with Covalent Pyrrolopyrimidine 21a | Descriptor: | 1,2-ETHANEDIOL, Epidermal growth factor receptor, SULFATE ION, ... | Authors: | Niggenaber, J, Mueller, M.P, Rauh, D. | Deposit date: | 2019-11-14 | Release date: | 2020-09-30 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Targeting Her2-insYVMA with Covalent Inhibitors-A Focused Compound Screening and Structure-Based Design Approach. J.Med.Chem., 63, 2020
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8OOH
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8C3V
| SARS-CoV-2 Delta-RBD complexed with BA.2-13 Fab and C1 nanobody | Descriptor: | 2-(2-METHOXYETHOXY)ETHANOL, BA.2-13 heavy chain, BA.2-13 light chain, ... | Authors: | Zhou, D, Ren, J, Stuart, D.I. | Deposit date: | 2022-12-28 | Release date: | 2023-03-22 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.74 Å) | Cite: | Rapid escape of new SARS-CoV-2 Omicron variants from BA.2-directed antibody responses. Cell Rep, 42, 2023
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7NML
| Galectin-1 in complex with 4-Amino-6-chloro-1,3-benzenedisulfonamide | Descriptor: | 4-AMINO-6-CHLOROBENZENE-1,3-DISULFONAMIDE, DIMETHYL SULFOXIDE, Galectin-1 | Authors: | Grimm, C, Bechold, J, Seibel, J. | Deposit date: | 2021-02-23 | Release date: | 2022-03-02 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.43 Å) | Cite: | Galectin-1 in complex with 4-Amino-6-chloro-1,3-benzenedisulfonamide To Be Published
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6T8W
| Complement factor B in complex with (-)-4-(1-((5,7-Dimethyl-1H-indol-4-yl)methyl)piperidin-2-yl)benzoic acid | Descriptor: | 5,7-dimethyl-4-[[(2~{S})-2-phenylpiperidin-1-yl]methyl]-1~{H}-indole, Complement factor B, SULFATE ION, ... | Authors: | Mainolfi, N, Ehara, T, Karki, R.G, Anderson, K, Sweeney, A.M, Wiesmann, C, Adams, C, Mainolfi, N, Liao, S.M, Argikar, U.A, Jendza, K, Zhang, C, Powers, J, Klosowski, D.W, Crowley, M, Kawanami, T, Ding, J, April, M, Forster, C, Wu, M.S, Capparelli, M, Ramqaj, R, Solovay, C, Cumin, F, Smith, T.M, Ferrara, L, Lee, W, Long, D, Prentiss, M, Erkenez, A.D, Yang, L, Fang, L, Sellner, H, Sirockin, F, Valeur, E, Erbel, P, Ramage, P, Gerhartz, B, Schubart, A, Flohr, S, Gradoux, N, Feifel, R, Vogg, B, Wiesmann, C, Maibaum, J, Eder, J, Sedrani, R, Harrison, R.A, Mogi, M, Jaffee, B.D, Adams, C.M. | Deposit date: | 2019-10-25 | Release date: | 2020-03-04 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Discovery of 4-((2S,4S)-4-Ethoxy-1-((5-methoxy-7-methyl-1H-indol-4-yl)methyl)piperidin-2-yl)benzoic Acid (LNP023), a Factor B Inhibitor Specifically Designed To Be Applicable to Treating a Diverse Array of Complement Mediated Diseases. J.Med.Chem., 63, 2020
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7B76
| Crystal structure of the effector AvrLm5-9 from Leptosphaeria maculans | Descriptor: | Avirulence protein LmJ1, IODIDE ION | Authors: | Lazar, N, Mesarich, C, Petit-Houdenot, Y, Talbi, N, Li de la Sierra-Gallay, I, Zelie, E, Blondeau, K, Gracy, J, Ollivier, B, van de Wouw, A, Balesdent, M.H, Idnurm, A, van Tilbeurgh, H, Fudal, I. | Deposit date: | 2020-12-09 | Release date: | 2022-01-12 | Last modified: | 2023-03-01 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | A new family of structurally conserved fungal effectors displays epistatic interactions with plant resistance proteins. Plos Pathog., 18, 2022
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7AKK
| Structure of a complement factor-receptor complex | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Complement C3 beta chain, Complement C3b alpha' chain, ... | Authors: | Fernandez, F.J, Santos-Lopez, J, Martinez-Barricarte, R, Querol-Garcia, J, Navas-Yuste, S, Savko, M, Shepard, W.E, Rodriguez de Cordoba, S, Vega, M.C. | Deposit date: | 2020-10-01 | Release date: | 2022-04-13 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (3.395 Å) | Cite: | The crystal structure of iC3b-CR3 alpha I reveals a modular recognition of the main opsonin iC3b by the CR3 integrin receptor Nat Commun, 13, 2022
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7ALE
| Crystal structure of human PAICS in complex with inhibitor 69 | Descriptor: | (2~{S})-2-[[5-azanyl-1-[(2~{R},3~{R},4~{S},5~{R})-3,4-bis(oxidanyl)-5-(phosphonooxymethyl)oxolan-2-yl]imidazol-4-yl]car bonylamino]butanedioic acid, 2-azanyl-~{N}-[2-bromanyl-5-[4-[3-(dimethylamino)propylsulfonyl]piperazin-1-yl]phenyl]-1,3-oxazole-4-carboxamide, Multifunctional protein ADE2 | Authors: | Skerlova, J, Marttila, P, Unterlass, J, Jemth, A.-S, Henriksson, M, Wakchaure, P, Grube, M, Warpman Berglund, U, Homan, E, Helleday, T, Stenmark, P. | Deposit date: | 2020-10-06 | Release date: | 2022-04-20 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | Cellular and biochemical validation of a potent PAICS inhibitor To Be Published
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6TFW
| Crystal Structure of EGFR T790M/V948R in Complex with Covalent Pyrrolopyrimidine 18d | Descriptor: | CHLORIDE ION, Epidermal growth factor receptor, MAGNESIUM ION, ... | Authors: | Niggenaber, J, Mueller, M.P, Rauh, D. | Deposit date: | 2019-11-14 | Release date: | 2020-09-30 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Targeting Her2-insYVMA with Covalent Inhibitors-A Focused Compound Screening and Structure-Based Design Approach. J.Med.Chem., 63, 2020
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7RF6
| RT XFEL structure of Photosystem II 250 microseconds after the second illumination at 2.01 Angstrom resolution | Descriptor: | 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ... | Authors: | Hussein, R, Ibrahim, M, Bhowmick, A, Simon, P.S, Chatterjee, R, Lassalle, L, Doyle, M.D, Bogacz, I, Kim, I.-S, Cheah, M.H, Gul, S, de Lichtenberg, C, Chernev, P, Pham, C.C, Young, I.D, Carbajo, S, Fuller, F.D, Alonso-Mori, R, Batyuk, A, Sutherlin, K.D, Brewster, A.S, Bolotovski, R, Mendez, D, Holton, J.M, Moriarty, N.W, Adams, P.D, Bergmann, U, Sauter, N.K, Dobbek, H, Messinger, J, Zouni, A, Kern, J, Yachandra, V.K, Yano, J. | Deposit date: | 2021-07-13 | Release date: | 2021-11-10 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Structural dynamics in the water and proton channels of photosystem II during the S 2 to S 3 transition. Nat Commun, 12, 2021
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7MY0
| Sy-CrtE IPP structure | Descriptor: | 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, GLYCEROL, Geranylgeranyl pyrophosphate synthase, ... | Authors: | Peat, T.S, Newman, J. | Deposit date: | 2021-05-19 | Release date: | 2022-06-01 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.37 Å) | Cite: | Molecular characterization of cyanobacterial short-chain prenyltransferases and discovery of a novel GGPP phosphatase. Febs J., 289, 2022
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6T8U
| Complement factor B in complex with 5-Bromo-3-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-7-methyl-1H-indol-4-amine | Descriptor: | 5-bromanyl-3-chloranyl-~{N}-(1~{H}-imidazol-2-yl)-7-methyl-1~{H}-indol-4-amine, Complement factor B, SULFATE ION | Authors: | Mainolfi, N, Ehara, T, Karki, R.G, Anderson, K, Mac Sweeney, A, Wiesmann, C, Adams, C, Liao, S.-M, Argikar, U.A, Jendza, K, Zhang, C, Powers, J, Klosowski, D.W, Crowley, M, Kawanami, T, Ding, J, April, M, Forster, C, Serrano-Wu, M, Capparelli, M, Ramqaj, R, Solovay, C, Cumin, F, Smith, T.M, Ferrara, L, Lee, W, Long, D, Prentiss, M, De Erkenez, A, Yang, L, Fang, L, Sellner, H, Sirockin, F, Valeur, E, Erbel, P, Ramage, P, Gerhartz, B, Schubart, A, Flohr, S, Gradoux, N, Feifel, R, Vogg, B, Maibaum, J, Eder, J, Sedrani, R, Harrison, R.A, Mogi, M, Jaffee, B.D, Adams, C.M. | Deposit date: | 2019-10-25 | Release date: | 2020-03-04 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.84 Å) | Cite: | Discovery of 4-((2S,4S)-4-Ethoxy-1-((5-methoxy-7-methyl-1H-indol-4-yl)methyl)piperidin-2-yl)benzoic Acid (LNP023), a Factor B Inhibitor Specifically Designed To Be Applicable to Treating a Diverse Array of Complement Mediated Diseases. J.Med.Chem., 63, 2020
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7N9J
| Crystal structure of H2DB in complex with HSF2 melanoma neoantigen | Descriptor: | Beta-2-microglobulin, H-2 class I histocompatibility antigen, D-B alpha chain, ... | Authors: | Patskovsky, Y, Finnigan, J, Patskovska, L, Newman, J, Bhardwaj, N, Krogsgaard, M. | Deposit date: | 2021-06-18 | Release date: | 2022-06-22 | Last modified: | 2024-10-09 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | Structure of the complex between H2DB and melanoma HSF2 neoantigen YGFRNVVHI To be Published
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7NA5
| Structure of the H2DB-TCR ternary complex with HSF2 melanoma neoantigen | Descriptor: | 47BE7 TCR alpha chain, 47BE7 TCR beta chain, Beta-2-microglobulin, ... | Authors: | Patskovsky, Y, Finnigan, J, Patskovska, L, Newman, J, Bhardwaj, N, Krogsgaard, M. | Deposit date: | 2021-06-19 | Release date: | 2022-06-22 | Last modified: | 2024-10-09 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structure of the TCR-H2DB ternary complex with melanoma HSF2 neoantigen YGFRNVVHI To be Published
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7BT5
| Crystal structure of plasmodium LysRS complexing with an antitumor compound | Descriptor: | LYSINE, Lysine--tRNA ligase, N4-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]-N2-(2-propan-2-ylsulfonylphenyl)-1,3,5-triazine-2,4-diamine | Authors: | Zhou, J, Wang, J, Fang, P. | Deposit date: | 2020-03-31 | Release date: | 2020-09-30 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.493 Å) | Cite: | Inhibition of Plasmodium falciparum Lysyl-tRNA synthetase via an anaplastic lymphoma kinase inhibitor. Nucleic Acids Res., 48, 2020
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1XMA
| Structure of a transcriptional regulator from Clostridium thermocellum Cth-833 | Descriptor: | MERCURY (II) ION, Predicted transcriptional regulator, UNKNOWN ATOM OR ION | Authors: | Yang, H, Chen, L, Lee, D, Habel, J, Nguyen, J, Chang, S.-H, Kataeva, I, Xu, H, Chang, J, Zhao, M, Horanyi, P, Florence, Q, Zhou, W, Tempel, W, Lin, D, Praissman, J, Zhang, H, Arendall III, W.B, Richardson, J.S, Richardson, D.C, Ljungdahl, L, Liu, Z.-J, Rose, J.P, Wang, B.-C, Southeast Collaboratory for Structural Genomics (SECSG) | Deposit date: | 2004-10-01 | Release date: | 2004-12-14 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.301 Å) | Cite: | Structure of a transcriptional regulator from Clostridium thermocellum Cth-833 To be published
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1XRG
| Conserved hypothetical protein from Clostridium thermocellum Cth-2968 | Descriptor: | Putative translation initiation inhibitor, yjgF family, UNKNOWN ATOM OR ION | Authors: | Zhao, M, Chang, J, Habel, J, Kataeva, I, Xu, H, Chen, L, Lee, D, Nguyen, J, Chang, S.-H, Horanyi, P, Florence, Q, Zhou, W, Tempel, W, Lin, D, Zhang, H, Arendall III, W.B, Ljundahl, L, Liu, Z.-J, Rose, J, Richardson, J.S, Richardson, D.C, Wang, B.-C, Southeast Collaboratory for Structural Genomics (SECSG) | Deposit date: | 2004-10-14 | Release date: | 2004-12-14 | Last modified: | 2017-10-11 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Conserved hypothetical protein from Clostridium thermocellum Cth-2968 To be published
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8HXS
| Small_spotted catshark CD8alpha | Descriptor: | T-cell surface glycoprotein CD8 alpha chain | Authors: | Wang, J, Zou, J. | Deposit date: | 2023-01-05 | Release date: | 2023-02-22 | Last modified: | 2024-04-17 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | The first crystal structure of CD8 alpha alpha from a cartilaginous fish. Front Immunol, 14, 2023
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2BDD
| Crystal Structure of Holo-ACP-synthase from Plasmodium yoelii | Descriptor: | ACP-synthase | Authors: | Dong, A, Melone, M, Zhao, Y, Lew, J, Koeieradzki, I, Alam, Z, Wasney, G, Vedadi, M, Edwards, A.M, Arrowsmith, C.H, Weigelt, J, Sundstrom, M, Bochkarev, A, Hui, R, Amani, M, Structural Genomics Consortium (SGC) | Deposit date: | 2005-10-20 | Release date: | 2005-11-01 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.28 Å) | Cite: | Genome-scale protein expression and structural biology of Plasmodium falciparum and related Apicomplexan organisms. Mol.Biochem.Parasitol., 151, 2007
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2BHN
| XPF from Aeropyrum pernix | Descriptor: | XPF ENDONUCLEASE | Authors: | Newman, M, Murray-Rust, J, Lally, J, Rudolf, J, Fadden, A, Knowles, P.P, White, M.F, McDonald, N.Q. | Deposit date: | 2005-01-14 | Release date: | 2005-02-23 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Structure of an XPF endonuclease with and without DNA suggests a model for substrate recognition. EMBO J., 24, 2005
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