6ZHI
 
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2M7J
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2M7I
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9R2O
 | | De novo designed N5 protein fold | | Descriptor: | N5, POTASSIUM ION, THIOCYANATE ION | | Authors: | Pacesa, M, Miao, Y, Georgeon, S, Schmidt, J, Correia, B.E. | | Deposit date: | 2025-04-30 | | Release date: | 2025-05-14 | | Method: | X-RAY DIFFRACTION (2.09 Å) | | Cite: | Reimagine accessibility of protein space with generative model
To Be Published
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9R2L
 | | De novo designed N37 protein fold | | Descriptor: | ACETATE ION, ETHANOLAMINE, N37, ... | | Authors: | Pacesa, M, Miao, Y, Georgeon, S, Schmidt, J, Correia, B.E. | | Deposit date: | 2025-04-30 | | Release date: | 2025-05-14 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Reimagine accessibility of protein space with generative model
To Be Published
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9R2R
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9R2K
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9R2V
 | | De novo designed M16 protein fold | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, FORMIC ACID, ... | | Authors: | Pacesa, M, Miao, Y, Georgeon, S, Schmidt, J, Correia, B.E. | | Deposit date: | 2025-05-01 | | Release date: | 2025-05-14 | | Method: | X-RAY DIFFRACTION (2.49 Å) | | Cite: | Reimagine accessibility of protein space with generative model
To Be Published
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9MER
 | | Structure of H1H5:FluA20 Chimeric Influenza HA Complex | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Seraj, N. | | Deposit date: | 2024-12-08 | | Release date: | 2025-03-19 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure-based Design of Chimeric Influenza Hemagglutinins to Elicit Cross-group Immunity.
Biorxiv, 2025
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9MEV
 | | Structure of H1H3:FluA20 Chimeric Antigen Complex | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Seraj, N. | | Deposit date: | 2024-12-08 | | Release date: | 2025-03-19 | | Method: | X-RAY DIFFRACTION (2.06 Å) | | Cite: | Structure-based Design of Chimeric Influenza Hemagglutinins to Elicit Cross-group Immunity.
Biorxiv, 2025
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8OUS
 | | CRYSTAL STRUCTURE OF DLK IN COMPLEX WITH COMPOUND 19 | | Descriptor: | (1S)-1-[4-[6-azanyl-5-(trifluoromethyloxy)pyridin-3-yl]-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]-2-methyl-propan-1-ol, Mitogen-activated protein kinase kinase kinase 12 | | Authors: | Zebisch, M, McEwan, P.A, Barker, J.J, Cross, J.B. | | Deposit date: | 2023-04-24 | | Release date: | 2023-07-26 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Discovery of IACS-52825, a Potent and Selective DLK Inhibitor for Treatment of Chemotherapy-Induced Peripheral Neuropathy.
J.Med.Chem., 66, 2023
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8OUR
 | | CRYSTAL STRUCTURE OF DLK IN COMPLEX WITH COMPOUND 16 | | Descriptor: | 5-[1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)-2-propan-2-yl-imidazol-4-yl]-3-(trifluoromethyloxy)pyridin-2-amine, Mitogen-activated protein kinase kinase kinase 12 | | Authors: | Zebisch, M, McEwan, P.A, Barker, J.J, Cross, J.B. | | Deposit date: | 2023-04-24 | | Release date: | 2023-07-26 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Discovery of IACS-52825, a Potent and Selective DLK Inhibitor for Treatment of Chemotherapy-Induced Peripheral Neuropathy.
J.Med.Chem., 66, 2023
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8OUT
 | | CRYSTAL STRUCTURE OF DLK IN COMPLEX WITH COMPOUND 22 | | Descriptor: | (1R)-1-[4-[6-azanyl-5-(trifluoromethyloxy)pyridin-3-yl]-1-(3-fluoranyl-1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]-2,2,2-tris(fluoranyl)ethanol, Mitogen-activated protein kinase kinase kinase 12 | | Authors: | Zebisch, M, Akkermans, O, Barker, J.J, Cross, J.B. | | Deposit date: | 2023-04-24 | | Release date: | 2023-07-26 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (1.935 Å) | | Cite: | Discovery of IACS-52825, a Potent and Selective DLK Inhibitor for Treatment of Chemotherapy-Induced Peripheral Neuropathy.
J.Med.Chem., 66, 2023
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4PIH
 | | X-ray crystal structure of the K33S mutant of ubiquitin | | Descriptor: | CALCIUM ION, CHLORIDE ION, Ubiquitin | | Authors: | Loll, P.J, Xu, P.J, Schmidt, J, Melideo, S.L. | | Deposit date: | 2014-05-08 | | Release date: | 2014-10-29 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Enhancing ubiquitin crystallization through surface-entropy reduction.
Acta Crystallogr.,Sect.F, 70, 2014
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4PIJ
 | | X-ray crystal structure of the K11S/K63S double mutant of ubiquitin | | Descriptor: | GLYCEROL, SULFATE ION, Ubiquitin | | Authors: | Loll, P.J, Xu, P.J, Schmidt, J, Melideo, S.L. | | Deposit date: | 2014-05-08 | | Release date: | 2014-10-29 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Enhancing ubiquitin crystallization through surface-entropy reduction.
Acta Crystallogr.,Sect.F, 70, 2014
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7ZAK
 | | Crystal structure of HLA-DP (DPA1*02:01-DPB1*01:01) in complex with a peptide | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, MAGNESIUM ION, ... | | Authors: | Racle, J, Guillaume, P, Larabi, A, Lau, K, Pojer, F, Gfeller, D. | | Deposit date: | 2022-03-22 | | Release date: | 2023-03-29 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (1.62 Å) | | Cite: | Machine learning predictions of MHC-II specificities reveal alternative binding mode of class II epitopes.
Immunity, 56, 2023
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7ZFR
 | | Crystal structure of HLA-DP (DPA1*02:01-DPB1*01:01) in complex with a peptide bound in the reverse direction | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, MHC class II HLA-DP alpha chain (DPA1*02:01), MHC class II HLA-DP beta chain (DPB1*01:01), ... | | Authors: | Racle, J, Guillaume, P, Larabi, A, Lau, K, Pojer, F, Gfeller, D. | | Deposit date: | 2022-04-01 | | Release date: | 2023-04-12 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Machine learning predictions of MHC-II specificities reveal alternative binding mode of class II epitopes.
Immunity, 56, 2023
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4PIG
 | | Crystal structure of the ubiquitin K11S mutant | | Descriptor: | CALCIUM ION, CHLORIDE ION, SODIUM ION, ... | | Authors: | Loll, P.J, Xu, P.J, Schmidt, J, Melideo, S.L. | | Deposit date: | 2014-05-08 | | Release date: | 2014-10-29 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.952 Å) | | Cite: | Enhancing ubiquitin crystallization through surface-entropy reduction.
Acta Crystallogr.,Sect.F, 70, 2014
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3CBG
 | | Functional and Structural Characterization of a Cationdependent O-Methyltransferase from the Cyanobacterium Synechocystis Sp. Strain PCC 6803 | | Descriptor: | (2E)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoic acid, 3-(4-HYDROXY-3-METHOXYPHENYL)-2-PROPENOIC ACID, MAGNESIUM ION, ... | | Authors: | Kopycki, J.G, Neumann, P, Stubbs, M.T. | | Deposit date: | 2008-02-22 | | Release date: | 2008-06-10 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Functional and Structural Characterization of a Cation-dependent O-Methyltransferase from the Cyanobacterium Synechocystis sp. Strain PCC 6803
J.Biol.Chem., 283, 2008
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1PWP
 | | Crystal Structure of the Anthrax Lethal Factor complexed with Small Molecule Inhibitor NSC 12155 | | Descriptor: | Lethal factor, N,N'-BIS(4-AMINO-2-METHYLQUINOLIN-6-YL)UREA, ZINC ION | | Authors: | Wong, T.Y, Schwarzenbacher, R, Liddington, R.C. | | Deposit date: | 2003-07-02 | | Release date: | 2004-01-13 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Identification of small molecule inhibitors of anthrax lethal factor.
Nat.Struct.Mol.Biol., 11, 2004
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9HAF
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9HAC
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9HAE
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9HAD
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9GNZ
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