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7S8A	STRUCTURE OF HLA-B*07:02 IN COMPLEX WITH MLL(747-755) PHOSPHOPEPTIDE, CUBIC CRYSTAL FORM Descriptor: 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, ACETATE ION, Beta-2-microglobulin, ... Authors: Patskovska, L, Patskovsky, Y, Nyovanie, S, Natarajan, A, Joshi, B, Morin, B, Brittsan, C, Huber, O, Gordon, S, Michelet, X, Schmitzberger, F, Stein, R, Findeis, M, Hurwitz, A, Van Dijk, M, Buell, J, Underwood, D, Krogsgaard, M. Deposit date: 2021-09-17 Release date: 2022-11-02 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (2.1 Å) Cite: Molecular mechanism of phosphopeptide neoantigen immunogenicity. Nat Commun, 14, 2023
8VDY	Crystal Structure of Delta 114-117 D-Dopachrome Tautomerase (D-DT) Descriptor: D-dopachrome decarboxylase Authors: Parkins, A, Pilien, A, Wolff, A, Thompson, M.C, Pantouris, G. Deposit date: 2023-12-18 Release date: 2024-05-01 Last modified: 2024-05-22 Method: X-RAY DIFFRACTION (2.44 Å) Cite: The C-terminal Region of D-DT Regulates Molecular Recognition for Protein-Ligand Complexes. J.Med.Chem., 67, 2024
8XAX	Cryo-EM structure of an anti-phage defense complex bound to AMPPNP and DNA at state 2 Descriptor: ADENOSINE-5'-DIPHOSPHATE, ATP-binding protein, DUF4297, ... Authors: An, Q, Deng, Z. Deposit date: 2023-12-05 Release date: 2024-06-05 Last modified: 2024-07-10 Method: ELECTRON MICROSCOPY (2.92 Å) Cite: Molecular and structural basis of an ATPase-nuclease dual-enzyme anti-phage defense complex. Cell Res., 2024
8VG8	Crystal Structure of T115A Variant of D-Dopachrome Tautomerase (D-DT) Bound to 4CPPC Descriptor: 4-(3-carboxyphenyl)pyridine-2,5-dicarboxylic acid, D-dopachrome decarboxylase Authors: Parkins, A, Pilien, A, Wolff, A, Thompson, M.C, Pantouris, G. Deposit date: 2023-12-23 Release date: 2024-05-01 Last modified: 2024-05-22 Method: X-RAY DIFFRACTION (1.33 Å) Cite: The C-terminal Region of D-DT Regulates Molecular Recognition for Protein-Ligand Complexes. J.Med.Chem., 67, 2024
7S7F	STRUCTURE OF HLA-B*07:02 IN COMPLEX WITH DOT1L(998-1006) PHOSPHOPEPTIDE Descriptor: Beta-2-microglobulin, HLA class I histocompatibility antigen, B-7 alpha chain, ... Authors: Patskovska, L, Patskovsky, Y, Nyovanie, S, Natarajan, A, Joshi, B, Morin, B, Brittsan, C, Huber, O, Gordon, S, Michelet, X, Schmitzberger, F, Stein, R, Findeis, M, Hurwitz, A, Van Dijk, M, Buell, J, Underwood, D, Krogsgaard, M. Deposit date: 2021-09-15 Release date: 2022-11-02 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (1.88 Å) Cite: Molecular mechanism of phosphopeptide neoantigen immunogenicity. Nat Commun, 14, 2023
8YBE	Cryo-EM structure of Maltose Binding Protein Descriptor: Maltose/maltodextrin-binding periplasmic protein, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose Authors: Yoo, Y, Park, K, Kim, H. Deposit date: 2024-02-13 Release date: 2024-03-06 Method: ELECTRON MICROSCOPY (2.3 Å) Cite: Atomic resolution structure of MBP using Cryo-EM To Be Published
7S7E	STRUCTURE OF HLA-B*07:02 IN COMPLEX WITH DOT1L(998-1006) PEPTIDE Descriptor: Beta-2-microglobulin, HLA class I histocompatibility antigen, B-7 alpha chain, ... Authors: Patskovska, L, Patskovsky, Y, Nyovanie, S, Natarajan, A, Joshi, B, Morin, B, Brittsan, C, Huber, O, Gordon, S, Michelet, X, Schmitzberger, F, Stein, R, Findeis, M, Hurwitz, A, Van Dijk, M, Buell, J, Underwood, D, Krogsgaard, M. Deposit date: 2021-09-15 Release date: 2022-11-02 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (2.04 Å) Cite: Molecular mechanism of phosphopeptide neoantigen immunogenicity. Nat Commun, 14, 2023
7S79	STRUCTURE OF HLA-B*07:02 IN COMPLEX WITH SYNTHETIC PHOSPHONO-MLL PEPTIDE ANALOG Descriptor: Beta-2-microglobulin, GLYCEROL, HLA class I histocompatibility antigen, ... Authors: Patskovska, L, Patskovsky, Y, Nyovanie, S, Natarajan, A, Joshi, B, Morin, B, Brittsan, C, Huber, O, Gordon, S, Michelet, X, Schmitzberger, F, Stein, R, Findeis, M, Hurwitz, A, Van Dijk, M, Buell, J, Underwood, D, Krogsgaard, M. Deposit date: 2021-09-15 Release date: 2022-11-02 Last modified: 2023-11-15 Method: X-RAY DIFFRACTION (1.53 Å) Cite: Molecular mechanism of phosphopeptide neoantigen immunogenicity. Nat Commun, 14, 2023
8W8Q	Cryo-EM structure of the GPR101-Gs complex Descriptor: Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(s) subunit alpha isoforms short, ... Authors: Sun, J.P, Gao, N, Yu, X, Wang, G.P, Yang, F, Wang, J.Y, Yang, Z, Guan, Y. Deposit date: 2023-09-04 Release date: 2024-01-03 Last modified: 2024-04-10 Method: ELECTRON MICROSCOPY (2.89 Å) Cite: Structure of GPR101-Gs enables identification of ligands with rejuvenating potential. Nat.Chem.Biol., 20, 2024
8VFO	Crystal Structure of L117G Variant of D-Dopachrome Tautomerase (D-DT) Descriptor: CITRIC ACID, D-dopachrome decarboxylase Authors: Parkins, A, Pilien, A, Thompson, M.C, Pantouris, G. Deposit date: 2023-12-21 Release date: 2024-05-01 Last modified: 2024-05-22 Method: X-RAY DIFFRACTION (1.35 Å) Cite: The C-terminal Region of D-DT Regulates Molecular Recognition for Protein-Ligand Complexes. J.Med.Chem., 67, 2024
8U1C	A mechanistic understanding of protective influenza B neuraminidase mAbs at the airway interface Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Neuraminidase, mAb-400 heavy chain, ... Authors: Ferguson, J.A, Oeverdieck, S, Ward, A.B. Deposit date: 2023-08-31 Release date: 2024-03-27 Method: ELECTRON MICROSCOPY (2.89 Å) Cite: A mechanistic understanding of protective influenza B neuraminidase mAbs at the airway interface To Be Published
8VFL	Crystal Structure of WT D-Dopachrome Tautomerase (D-DT) at 290K Descriptor: D-dopachrome decarboxylase Authors: Parkins, A, Pilien, A, Wolff, A, Thompson, M.C, Pantouris, G. Deposit date: 2023-12-21 Release date: 2024-05-01 Last modified: 2024-05-22 Method: X-RAY DIFFRACTION (1.23 Å) Cite: The C-terminal Region of D-DT Regulates Molecular Recognition for Protein-Ligand Complexes. J.Med.Chem., 67, 2024
7S8J	PHOSPHOPEPTIDE-SPECIFIC LC13 TCR, ORTHORHOMBIC CRYSTAL FORM Descriptor: CHLORIDE ION, TRAV27_LC13 TCR ALPHA CHAIN, TRBV27_LC13 TCR BETA CHAIN Authors: Patskovska, L, Patskovsky, Y, Nyovanie, S, Natarajan, A, Joshi, B, Morin, B, Brittsan, C, Huber, O, Gordon, S, Michelet, X, Schmitzberger, F, Stein, R, Findeis, M, Hurwitz, A, Van Dijk, M, Buell, J, Underwood, D, Krogsgaard, M. Deposit date: 2021-09-17 Release date: 2022-11-02 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (1.92 Å) Cite: Molecular mechanism of phosphopeptide neoantigen immunogenicity. Nat Commun, 14, 2023
8U4W	The crystal structure of a helical domain deleted PARP1 in complex with isoindolinone based inhibitor. Descriptor: (4M)-4-(2-{4-[(3S)-1-acetylpiperidine-3-carbonyl]piperazine-1-carbonyl}-1-benzofuran-7-yl)-1H-isoindol-1-one, Poly [ADP-ribose] polymerase 1, processed C-terminus Authors: Marcotte, D.J. Deposit date: 2023-09-11 Release date: 2024-03-27 Last modified: 2024-06-26 Method: X-RAY DIFFRACTION (3.02 Å) Cite: Discovery of Potent Isoindolinone Inhibitors that Target an Active Conformation of PARP1 Using DNA-Encoded Libraries. Chemmedchem, 19, 2024
7S7D	STRUCTURE OF HLA-B*07:02 IN COMPLEX WITH SYNTHETIC SULFO-MLL PEPTIDE ANALOG Descriptor: Beta-2-microglobulin, GLYCEROL, HLA class I histocompatibility antigen, ... Authors: Patskovska, L, Patskovsky, Y, Nyovanie, S, Natarajan, A, Joshi, B, Morin, B, Brittsan, C, Huber, O, Gordon, S, Michelet, X, Schmitzberger, F, Stein, R, Findeis, M, Hurwitz, A, Van Dijk, M, Buell, J, Underwood, D, Krogsgaard, M. Deposit date: 2021-09-15 Release date: 2022-11-02 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (1.56 Å) Cite: Molecular mechanism of phosphopeptide neoantigen immunogenicity. Nat Commun, 14, 2023
8VG7	Crystal Structure of T115A Variant of D-Dopachrome Tautomerase (D-DT) Descriptor: D-dopachrome decarboxylase Authors: Parkins, A, Pilien, A, Wolff, A, Thompson, M.C, Pantouris, G. Deposit date: 2023-12-23 Release date: 2024-05-01 Last modified: 2024-05-22 Method: X-RAY DIFFRACTION (1.24 Å) Cite: The C-terminal Region of D-DT Regulates Molecular Recognition for Protein-Ligand Complexes. J.Med.Chem., 67, 2024
7S8E	STRUCTURE OF HLA-B*07:02 IN COMPLEX WITH MLL(747-755) PHOSPHOPEPTIDE AND BOUND GLYCEROL Descriptor: Beta-2-microglobulin, GLYCEROL, HLA class I histocompatibility antigen, ... Authors: Patskovsky, Y, Nyovanie, S, Patskovska, L, Natarajan, A, Joshi, B, Morin, B, Brittsan, C, Huber, O, Gordon, S, Michelet, X, Schmitzberger, F, Stein, R, Findeis, M, Hurwitz, A, Van Dijk, M, Buell, J, Underwood, D, Krogsgaard, M. Deposit date: 2021-09-17 Release date: 2022-11-02 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (1.6 Å) Cite: Molecular mechanism of phosphopeptide neoantigen immunogenicity. Nat Commun, 14, 2023
7E8I	Structural insight into BRCA1-BARD1 complex recruitment to damaged chromatin Descriptor: BRCA1-associated RING domain protein 1, DNA (145-MER), Histone H2A, ... Authors: Dai, Y, Dai, L, Zhou, Z. Deposit date: 2021-03-01 Release date: 2021-06-30 Last modified: 2024-03-27 Method: ELECTRON MICROSCOPY (3.1 Å) Cite: Structural insight into BRCA1-BARD1 complex recruitment to damaged chromatin. Mol.Cell, 81, 2021
7RZJ	CRYSTAL STRUCTURE OF HLA-B*07:02 IN COMPLEX WITH MLL(747-755) PHOSPHOPEPTIDE Descriptor: Beta-2-microglobulin, HLA class I histocompatibility antigen, B-7 alpha chain, ... Authors: Patskovsky, Y, Patskovska, L, Nyovanie, S, Natarajan, A, Joshi, B, Morin, B, Brittsan, C, Huber, O, Gordon, S, Michelet, X, Schmitzberger, F, Stein, R, Findeis, M, Hurwitz, A, Van Dijk, M, Buell, J, Underwood, D, Krogsgaard, M. Deposit date: 2021-08-27 Release date: 2022-11-02 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (1.8 Å) Cite: Molecular mechanism of phosphopeptide neoantigen immunogenicity. Nat Commun, 14, 2023
8VFN	Crystal Structure of WT D-Dopachrome Tautomerase (D-DT) at 310K Descriptor: D-dopachrome decarboxylase Authors: Parkins, A, Pilien, A, Wolff, A, Thompson, M.C, Pantouris, G. Deposit date: 2023-12-21 Release date: 2024-05-01 Last modified: 2024-05-22 Method: X-RAY DIFFRACTION (1.29 Å) Cite: The C-terminal Region of D-DT Regulates Molecular Recognition for Protein-Ligand Complexes. J.Med.Chem., 67, 2024
8VFW	Crystal Structure of V113N D-Dopachrome Tautomerase (D-DT) Descriptor: CITRIC ACID, D-dopachrome decarboxylase Authors: Parkins, A, Wolff, A, Thompson, M.C, Pantouris, G. Deposit date: 2023-12-22 Release date: 2024-05-01 Last modified: 2024-05-22 Method: X-RAY DIFFRACTION (1.31 Å) Cite: The C-terminal Region of D-DT Regulates Molecular Recognition for Protein-Ligand Complexes. J.Med.Chem., 67, 2024
7S8F	STRUCTURE OF HLA-B*07:02 IN COMPLEX WITH MLL(747-755) PEPTIDE AND BOUND GLYCEROL Descriptor: Beta-2-microglobulin, GLYCEROL, HLA class I histocompatibility antigen, ... Authors: Patskovsky, Y, Nyovanie, S, Patskovska, L, Natarajan, A, Joshi, B, Morin, B, Brittsan, C, Huber, O, Gordon, S, Michelet, X, Schmitzberger, F, Stein, R, Findeis, M, Hurwitz, A, Van Dijk, M, Buell, J, Underwood, D, Krogsgaard, M. Deposit date: 2021-09-17 Release date: 2022-11-02 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (1.8 Å) Cite: Molecular mechanism of phosphopeptide neoantigen immunogenicity. Nat Commun, 14, 2023
7K80	KIR3DL1*001 in complex with HLA-A*24:02 presenting the RYPLTFGW peptide Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, ARG-TYR-PRO-LEU-THR-PHE-GLY-TRP, ... Authors: MacLachlan, B.J, Rossjohn, J, Vivian, J.P. Deposit date: 2020-09-24 Release date: 2020-12-09 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (2.4 Å) Cite: The Role of the HLA Class I alpha 2 Helix in Determining Ligand Hierarchy for the Killer Cell Ig-like Receptor 3DL1. J Immunol., 206, 2021
8W8S	Cryo-EM structure of the AA14-bound GPR101 complex Descriptor: 1-(4-methylpyridin-2-yl)-3-[3-(trifluoromethyl)phenyl]thiourea, Probable G-protein coupled receptor 101 Authors: Sun, J.P, Yu, X, Gao, N, Yang, F, Wang, J.Y, Yang, Z, Guan, Y, Wang, G.P. Deposit date: 2023-09-04 Release date: 2024-01-03 Last modified: 2024-04-10 Method: ELECTRON MICROSCOPY (3.3 Å) Cite: Structure of GPR101-Gs enables identification of ligands with rejuvenating potential. Nat.Chem.Biol., 20, 2024
8W8R	Cryo-EM structure of the AA-14-bound GPR101-Gs complex Descriptor: 1-(4-methylpyridin-2-yl)-3-[3-(trifluoromethyl)phenyl]thiourea, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... Authors: Sun, J.P, Yu, X, Gao, N, Yang, F, Wang, J.Y, Yang, Z, Guan, Y, Wang, G.P. Deposit date: 2023-09-04 Release date: 2024-01-03 Last modified: 2024-04-10 Method: ELECTRON MICROSCOPY (3.3 Å) Cite: Structure of GPR101-Gs enables identification of ligands with rejuvenating potential. Nat.Chem.Biol., 20, 2024

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