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8SKE	Solution structure of the model miniprotein EEHEE_rd4_0642 Descriptor: Miniprotein EEHEE_rd4_0642 Authors: Houliston, S, Carter, L, Baker, D, Arrowsmith, C.H, Rocklin, G. Deposit date: 2023-04-19 Release date: 2024-04-24 Method: SOLID-STATE NMR Cite: Solution structure of the model miniprotein EEHEE_rd4_0642 To Be Published
8SKT	Structure of ternary complex of mouse cGAS with dsDNA and bound ATP with 5 mM Mn2+ Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Cyclic GMP-AMP synthase, MANGANESE (II) ION, ... Authors: Wu, S, Sohn, J. Deposit date: 2023-04-20 Release date: 2024-04-24 Method: X-RAY DIFFRACTION (2.69 Å) Cite: Structure of ternary complex of mouse cGAS with dsDNA and bound ATP with 5 mM Mn2+ To Be Published
8SKX	Solution structure of the model miniprotein HHH_rd4_0518 Descriptor: Miniprotein HHH_rd4_0518 Authors: Houliston, S, Carter, L, Baker, D, Arrowsmith, C.H, Rocklin, G. Deposit date: 2023-04-20 Release date: 2024-04-24 Method: SOLUTION NMR Cite: Solution structure of the model miniprotein HHH_rd4_0518 To Be Published
8SL5	[2T13] Self-assembling left-handed two-turn tensegrity triangle with 13 interjunction base pairs and R3 symmetry Descriptor: DNA (5'-D(*GP*AP*GP*CP*CP*TP*GP*AP*CP*TP*AP*CP*A)-3'), DNA (5'-D(*TP*CP*TP*GP*TP*GP*GP*C)-3'), DNA (5'-D(P*CP*GP*TP*GP*GP*AP*CP*A)-3'), ... Authors: Vecchioni, S, Janowski, J, Sha, R, Ohayon, Y.P. Deposit date: 2023-04-21 Release date: 2024-04-24 Method: X-RAY DIFFRACTION (6.55 Å) Cite: Programming Tertiary Chirality in Self-Assembling 3D DNA Crystals To Be Published
8SVL	Plasmodium falciparum M1 aminopeptidase bound to MMV1557817 Descriptor: GLYCEROL, M1 family aminopeptidase, MAGNESIUM ION, ... Authors: McGowan, S, Drinkwater, N. Deposit date: 2023-05-17 Release date: 2024-04-24 Method: X-RAY DIFFRACTION (1.504 Å) Cite: Characterisation of a novel antimalarial agent targeting haemaglobin digestion that shows cross-species reactivity and excellent in vivo properties. Mbio, 2024
8SVM	Plasmodium falciparum M17 aminopeptidase bound to MMV1557817 Descriptor: CARBONATE ION, Leucine aminopeptidase, N-[(1R)-2-(hydroxyamino)-2-oxo-1-(3',4',5'-trifluoro[1,1'-biphenyl]-4-yl)ethyl]-3,3-dimethylbutanamide, ... Authors: McGowan, S, Drinkwater, N. Deposit date: 2023-05-17 Release date: 2024-04-24 Method: X-RAY DIFFRACTION (2.3 Å) Cite: Characterisation of a novel antimalarial agent targeting haemaglobin digestion that shows cross-species reactivity and excellent in vivo properties. Mbio, 2024
8SW9	Plasmodium falciparum M17 (A460S) mutant Descriptor: CARBONATE ION, Leucine aminopeptidase, PENTAETHYLENE GLYCOL, ... Authors: McGowan, S, Suraweera, C, Drinkwater, N. Deposit date: 2023-05-17 Release date: 2024-04-24 Method: X-RAY DIFFRACTION (2.6 Å) Cite: Characterisation of a novel antimalarial agent targeting haemaglobin digestion that shows cross-species reactivity and excellent in vivo properties. Mbio, 2024
8SWM	Crystal structure of Campylobacter jejuni ketol-acid reductoisomerase in complex with 2-acetolactate Descriptor: (2S)-2-hydroxy-2-methyl-3-oxobutanoic acid, CHLORIDE ION, Ketol-acid reductoisomerase (NADP(+)), ... Authors: Lin, X, Lonhienne, T, Guddat, L.W. Deposit date: 2023-05-19 Release date: 2024-04-24 Method: X-RAY DIFFRACTION (3 Å) Cite: Mapping of the Reaction Trajectory catalyzed by Class I Ketol-Acid Reductoisomerase Acs Catalysis, 2024
8SXD	Campylobacter jejuni keto-acid reductoisomerase in complex with intermediate and NADP+ Descriptor: 3-hydroxy-3-methyl-2-oxobutanoic acid, CHLORIDE ION, Ketol-acid reductoisomerase, ... Authors: Lin, X, Lonhienne, T, Guddat, L.W. Deposit date: 2023-05-21 Release date: 2024-04-24 Method: X-RAY DIFFRACTION (2.59 Å) Cite: Mapping of the Reaction Trajectory catalyzed by Class I Ketol-Acid Reductoisomerase Acs Catalysis, 2024
8T6C	Crystal structure of T33-18.2: Deep-learning sequence design of co-assembling tetrahedron protein nanoparticles Descriptor: T33-18.2 : A, T33-18.2 : B Authors: Bera, A.K, de Haas, R.J, Kang, A, Sankaran, B, King, N.P. Deposit date: 2023-06-15 Release date: 2024-04-24 Method: X-RAY DIFFRACTION (1.92 Å) Cite: Rapid and automated design of two-component protein nanomaterials using ProteinMPNN. Proc.Natl.Acad.Sci.USA, 121, 2024
8T6E	Crystal structure of T33-28.3: Deep-learning sequence design of co-assembling tetrahedron protein nanoparticles Descriptor: T33-28.3: A, T33-28.3: B Authors: Bera, A.K, de Haas, R.J, Kang, A, Sankaran, B, King, N.P. Deposit date: 2023-06-15 Release date: 2024-04-24 Method: X-RAY DIFFRACTION (2.48 Å) Cite: Rapid and automated design of two-component protein nanomaterials using ProteinMPNN. Proc.Natl.Acad.Sci.USA, 121, 2024
8T6N	Crystal structure of T33-27.1: Deep-learning sequence design of co-assembling tetrahedron protein nanoparticles Descriptor: T33-27.1 : A, T33-27.1 : B Authors: Bera, A.K, de Haas, R.J, Kang, A, Sankaran, B, King, N.P. Deposit date: 2023-06-16 Release date: 2024-04-24 Method: X-RAY DIFFRACTION (3.63 Å) Cite: Rapid and automated design of two-component protein nanomaterials using ProteinMPNN. Proc.Natl.Acad.Sci.USA, 121, 2024
8TJY	Structure of Gabija AB complex Descriptor: Endonuclease GajA, Gabija protein GajB Authors: Shen, Z.F, Yang, X.Y, Fu, T.M. Deposit date: 2023-07-24 Release date: 2024-04-24 Method: ELECTRON MICROSCOPY (2.79 Å) Cite: Molecular basis of Gabija anti-phage supramolecular assemblies Nat.Struct.Mol.Biol., 2024
8TK0	Structure of Gabija AB complex Descriptor: Endonuclease GajA Authors: Shen, Z.F, Yang, X.Y, Fu, T.M. Deposit date: 2023-07-24 Release date: 2024-04-24 Method: ELECTRON MICROSCOPY (3.23 Å) Cite: Molecular basis of Gabija anti-phage supramolecular assemblies Nat.Struct.Mol.Biol., 2024
8TK1	Structure of Gabija AB complex 1 Descriptor: Endonuclease GajA, Gabija protein GajB Authors: Shen, Z.F, Yang, X.Y, Fu, T.M. Deposit date: 2023-07-25 Release date: 2024-04-24 Method: ELECTRON MICROSCOPY (2.98 Å) Cite: Molecular basis of Gabija anti-phage supramolecular assemblies Nat.Struct.Mol.Biol., 2024
8TN1	De novo designed protein binds poly ADP ribose polymerase inhibitors (PARPi) - apo Descriptor: De novo designed 4 helix bundles, SULFATE ION Authors: Lu, L, DeGrado, W.F. Deposit date: 2023-08-01 Release date: 2024-04-24 Method: X-RAY DIFFRACTION (1.61 Å) Cite: De novo design of drug-binding proteins with predictable binding energy and specificity. Science, 384, 2024
8TN6	De novo designed protein binds poly ADP ribose polymerase inhibitors (PARPi) - holo rucaparib Descriptor: De novo designed protein, Rucaparib Authors: Lu, L, DeGrado, W.F. Deposit date: 2023-08-01 Release date: 2024-04-24 Method: X-RAY DIFFRACTION (1.36 Å) Cite: De novo design of drug-binding proteins with predictable binding energy and specificity. Science, 384, 2024
8TNB	De novo designed protein binds poly ADP ribose polymerase inhibitors (PARPi) - holo mefuparib Descriptor: 5-fluoro-2-{4-[(methylamino)methyl]phenyl}-1-benzofuran-7-carboxamide, De novo designed protein Authors: Lu, L, DeGrado, W.F. Deposit date: 2023-08-01 Release date: 2024-04-24 Method: X-RAY DIFFRACTION (1.4 Å) Cite: De novo design of drug-binding proteins with predictable binding energy and specificity. Science, 384, 2024
8TNC	De novo designed protein binds poly ADP ribose polymerase inhibitors (PARPi) - holo niraparib Descriptor: 2-{4-[(3S)-piperidin-3-yl]phenyl}-2H-indazole-7-carboxamide, De novo designed protein Authors: Lu, L, DeGrado, W.F. Deposit date: 2023-08-01 Release date: 2024-04-24 Method: X-RAY DIFFRACTION (1.4 Å) Cite: De novo design of drug-binding proteins with predictable binding energy and specificity. Science, 384, 2024
8TND	De novo designed protein binds poly ADP ribose polymerase inhibitors (PARPi) - holo veliparib Descriptor: (2R)-2-(7-carbamoyl-1H-benzimidazol-2-yl)-2-methylpyrrolidinium, De novo designed protein, SULFATE ION Authors: Lu, L, DeGrado, W.F. Deposit date: 2023-08-01 Release date: 2024-04-24 Method: X-RAY DIFFRACTION (1.29 Å) Cite: De novo design of drug-binding proteins with predictable binding energy and specificity. Science, 384, 2024
8TQD	NF-Kappa-B1 Bound with a Covalent Inhibitor Descriptor: 1-(2-bromo-4-chlorophenyl)-N-{(3S)-1-[(E)-iminomethyl]pyrrolidin-3-yl}methanesulfonamide, Nuclear factor NF-kappa-B p105 subunit Authors: Hilbert, B.J. Deposit date: 2023-08-07 Release date: 2024-04-24 Method: X-RAY DIFFRACTION (2.02 Å) Cite: DrugMap: A quantitative pan-cancer analysis of cysteine ligandability To Be Published
8TQG	Crystal Structure of Mtb Pks13 Thioesterase domain in complex with inhibitor X20419 Descriptor: N-benzyl-2-{4-[4-(4,5-dimethoxy-1H-indole-2-carbonyl)piperazine-1-carbonyl]piperidin-1-yl}-6-methylpyrimidine-4-carboxamide, Polyketide synthase Pks13, SULFATE ION Authors: Krieger, I.V, Sacchettini, J.C. Deposit date: 2023-08-07 Release date: 2024-04-24 Method: X-RAY DIFFRACTION (2.2 Å) Cite: Inhibitors of the Thioesterase Activity of Mycobacterium tuberculosis Pks13 Discovered Using DNA-Encoded Chemical Library Screening. Acs Infect Dis., 2024
8TQI	Hemagglutinin-neuraminidase from Human parainfluenza virus type 3: complex with rPIV3-23 and rPIV3-28 Fabs Descriptor: Heavy chain Fab rPIV3-23, Heavy chain Fab rPIV3-28, Hemagglutinin-neuraminidase, ... Authors: Otrelo-Cardoso, A.R, Jardetzky, T.S. Deposit date: 2023-08-07 Release date: 2024-04-24 Method: ELECTRON MICROSCOPY (3.24 Å) Cite: Functional and structural characteristics of human monoclonal antibodies that potently neutralize human parainfluenza virus type 3 To Be Published
8TQK	Human parainfluenza virus type 3 prefusion F trimer in complex with rPIV3-18 Fab Descriptor: Fusion glycoprotein F0, Heavy chain Fab rPIV3-18, Light chain Fab rPIV3-28 Authors: Otrelo-Cardoso, A.R, Jardetzky, T.S. Deposit date: 2023-08-07 Release date: 2024-04-24 Method: ELECTRON MICROSCOPY (3.2 Å) Cite: Functional and structural characteristics of human monoclonal antibodies that potently neutralize human parainfluenza virus type 3 To be published
8TQV	Crystal Structure of Mtb Pks13 Thioesterase domain in complex with inhibitor X20403 Descriptor: 4-(2-{(4M)-4-[(6M)-6-(2,5-dimethoxyphenyl)pyridin-3-yl]-1H-1,2,3-triazol-1-yl}ethyl)-N-{[1-(methoxymethyl)cyclopropyl]methyl}-N-methylbenzamide, Polyketide synthase Pks13, SULFATE ION Authors: Krieger, I.V, Sacchettini, J.C. Deposit date: 2023-08-08 Release date: 2024-04-24 Method: X-RAY DIFFRACTION (2 Å) Cite: Inhibitors of the Thioesterase Activity of Mycobacterium tuberculosis Pks13 Discovered Using DNA-Encoded Chemical Library Screening. Acs Infect Dis., 2024

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