PDB: 221716 resultsInfo pagesStatus searchChemie searchBIRD

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8TCT	Structure of 3K-GlcH bound Bacteroides thetaiotaomicron 3-Keto-beta-glucopyranoside-1,2-Lyase BT1 Descriptor: 1,5-anhydro-D-ribo-hex-3-ulose, COBALT (II) ION, PHOSPHATE ION, ... Authors: Lazarski, A.C, Worrall, L.J, Strynadka, N.C.J. Deposit date: 2023-07-02 Release date: 2024-06-12 Method: X-RAY DIFFRACTION (1.86 Å) Cite: An alternative broad-specificity pathway for glycan breakdown in bacteria Nature, 2024
8TCS	Structure of trehalose bound Alistipes sp. 3-Keto-beta-glucopyranoside-1,2-Lyase AL1 Descriptor: ACETATE ION, COBALT (II) ION, Xylose isomerase-like TIM barrel domain-containing protein, ... Authors: Lazarski, A.C, Worrall, L.J, Strynadka, N.C.J. Deposit date: 2023-07-02 Release date: 2024-06-19 Method: X-RAY DIFFRACTION (1.5 Å) Cite: An alternative broad-specificity pathway for glycan breakdown in bacteria Nature, 2024
8TCR	Structure of glucose bound Alistipes sp. 3-Keto-beta-glucopyranoside-1,2-Lyase AL1 Descriptor: COBALT (II) ION, MALONATE ION, Sugar phosphate isomerase, ... Authors: Lazarski, A.C, Worrall, L.J, Strynadka, N.C.J. Deposit date: 2023-07-02 Release date: 2024-06-12 Method: X-RAY DIFFRACTION (2.08 Å) Cite: An alternative broad-specificity pathway for glycan breakdown in bacteria Nature, 2024
8TCO	HCMV Trimer in complex with CS2it1p2_F7K Fab and CS4tt1p1_E3K Fab Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CS2it1p2_F7K Fab heavy chain, ... Authors: Goldsmith, J.G, McLellan, J.S. Deposit date: 2023-07-02 Release date: 2023-08-09 Method: ELECTRON MICROSCOPY (2.8 Å) Cite: HCMV neutralization by broad antibody targeting To Be Published
8TCG	Integrin alpha-v beta-6 in complex with minibinder B6_BP_dslf Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Integrin alpha-V heavy chain, ... Authors: Campbell, M.G, Fernandez, A, Roy, A, Kraft, J, Baker, D. Deposit date: 2023-06-30 Release date: 2023-09-27 Method: ELECTRON MICROSCOPY (3.4 Å) Cite: De novo design of highly selective miniprotein inhibitors of integrins alpha v beta 6 and alpha v beta 8. Nat Commun, 14, 2023
8TCF	Integrin alpha-v beta-8 in complex with minibinder B8_BP_dsulf Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... Authors: Campbell, M.G, Fernandez, A, Roy, A, Kraft, J, Baker, D. Deposit date: 2023-06-30 Release date: 2023-09-27 Method: ELECTRON MICROSCOPY (2.9 Å) Cite: De novo design of highly selective miniprotein inhibitors of integrins alpha v beta 6 and alpha v beta 8. Nat Commun, 14, 2023
8TCE	Lipoprotein(a) Kringle IV domain 8 - Lp(a) KIV8 in complex with LY3353871 Descriptor: (2S)-3-phenyl-2-[(3R)-pyrrolidin-3-yl]propanoic acid, Apolipoprotein(a) Authors: Hendle, J, Weichert, K, Sauder, J.M. Deposit date: 2023-06-30 Release date: 2024-05-08 Last modified: 2024-06-19 Method: X-RAY DIFFRACTION (1.07 Å) Cite: Discovery of potent small-molecule inhibitors of lipoprotein(a) formation. Nature, 629, 2024
8TCD	Structure of Alistipes sp. 3-Keto-beta-glucopyranoside-1,2-Lyase AL1 Descriptor: ACETATE ION, COBALT (II) ION, GLYCEROL, ... Authors: Lazarski, A.C, Worrall, L.J, Strynadka, N.C.J. Deposit date: 2023-06-30 Release date: 2024-06-12 Method: X-RAY DIFFRACTION (1.9 Å) Cite: An alternative broad-specificity pathway for glycan breakdown in bacteria Nature, 2024
8TCA	Structure of a mouse IgG antibody antigen-binding fragment (Fab) targeting N6-methyladenosine (m6A), an RNA modification, no ligand Descriptor: 1,2-ETHANEDIOL, m6A binding IgG Fab, heavy chain, ... Authors: Angelo, M.C, Aoki, S.T. Deposit date: 2023-06-30 Release date: 2024-02-07 Method: X-RAY DIFFRACTION (2.02 Å) Cite: Structure of a mouse IgG antibody antigen-binding fragment (Fab) targeting N6-methyladenosine (m6A), an RNA modification To Be Published
8TC9	Human asparaginyl-tRNA synthetase bound to OSM-S-106 Descriptor: Asparagine--tRNA ligase, cytoplasmic, GLYCEROL, ... Authors: Dogovski, C, Metcalfe, R.D, Xie, S.C, Morton, C.J, Tilley, L, Griffin, M.D.W. Deposit date: 2023-06-30 Release date: 2024-02-07 Last modified: 2024-02-14 Method: X-RAY DIFFRACTION (2 Å) Cite: Reaction hijacking inhibition of Plasmodium falciparum asparagine tRNA synthetase. Nat Commun, 15, 2024
8TC8	Human asparaginyl-tRNA synthetase bound to adenosine 5'-sulfamate Descriptor: 5'-O-[N-(L-ASPARAGINYL)SULFAMOYL]ADENOSINE, Asparagine--tRNA ligase, cytoplasmic, ... Authors: Dogovski, C, Metcalfe, R.D, Xie, S.C, Morton, C.J, Tilley, L, Griffin, M.D.W. Deposit date: 2023-06-30 Release date: 2024-02-07 Last modified: 2024-02-14 Method: X-RAY DIFFRACTION (1.9 Å) Cite: Reaction hijacking inhibition of Plasmodium falciparum asparagine tRNA synthetase. Nat Commun, 15, 2024
8TC7	Human asparaginyl-tRNA synthetase, apo form Descriptor: Asparagine--tRNA ligase, cytoplasmic, CHLORIDE ION, ... Authors: Dogovski, C, Metcalfe, R.D, Xie, S.C, Morton, C.J, Tilley, L, Griffin, M.D.W. Deposit date: 2023-06-30 Release date: 2024-02-07 Last modified: 2024-02-14 Method: X-RAY DIFFRACTION (1.9 Å) Cite: Reaction hijacking inhibition of Plasmodium falciparum asparagine tRNA synthetase. Nat Commun, 15, 2024
8TC6	Sequence specific (AATT and TGTCA) orientation of netropsin and ImPyPy molecules at two unique minor groove binding sites within a self-assembled 3D DNA lattice (4x5) Descriptor: CACODYLATE ION, DNA (5'-D(*GP*AP*GP*CP*AP*GP*AP*CP*CP*TP*GP*AP*CP*GP*AP*TP*GP*TP*CP*AP*C*(NT))-3'), DNA (5'-D(*TP*CP*GP*TP*GP*AP*CP*AP*T)-3'), ... Authors: Simmons, C.R, MacCulloch, T, Stephanopoulos, N, Yan, H. Deposit date: 2023-06-29 Release date: 2023-12-20 Method: X-RAY DIFFRACTION (2.45 Å) Cite: Site-Specific Arrangement and Structure Determination of Minor Groove Binding Molecules in Self-Assembled Three-Dimensional DNA Crystals. J.Am.Chem.Soc., 145, 2023
8TC5	Cryo-EM Structure of Spike Glycoprotein from Civet Coronavirus SZ3 in Closed Conformation Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... Authors: Bostina, M, Hills, F.R, Eruera, A. Deposit date: 2023-06-29 Release date: 2024-05-15 Last modified: 2024-06-12 Method: ELECTRON MICROSCOPY (2.11 Å) Cite: Variation in structural motifs within SARS-related coronavirus spike proteins. Plos Pathog., 20, 2024
8TC4	Sequence specific (TGTCA) orientation of ImPyPy molecules at a unique minor groove binding site within a self-assembled 3D DNA lattice (4x5) Descriptor: DNA (5'-D(*GP*AP*GP*CP*AP*GP*AP*CP*CP*TP*GP*AP*CP*GP*AP*TP*GP*TP*CP*AP*C)-3'), DNA (5'-D(*TP*CP*GP*TP*GP*AP*CP*AP*T)-3'), DNA (5'-D(P*CP*GP*TP*CP*A)-3'), ... Authors: Simmons, C.R, MacCulloch, T, Stephanopoulos, N, Yan, H. Deposit date: 2023-06-29 Release date: 2023-12-20 Method: X-RAY DIFFRACTION (3.06 Å) Cite: Site-Specific Arrangement and Structure Determination of Minor Groove Binding Molecules in Self-Assembled Three-Dimensional DNA Crystals. J.Am.Chem.Soc., 145, 2023
8TC3	CryoEM structure of nucleotide-free form of the nitrogenase iron protein from A. vinelandii Descriptor: IRON/SULFUR CLUSTER, Nitrogenase iron protein,Fluorescent protein plum Authors: Warmack, R.A, Rees, D.C. Deposit date: 2023-06-29 Release date: 2024-04-17 Method: ELECTRON MICROSCOPY (2.57 Å) Cite: Anaerobic cryoEM protocols for air-sensitive nitrogenase proteins. Nat Protoc, 2024
8TC2	Sequence specific (AATT) orientation of netropsin molecules at two unique minor groove binding sites within a self-assembled 3D DNA lattice (4x5) Descriptor: DNA (5'-D(*GP*AP*GP*CP*AP*GP*AP*CP*CP*TP*GP*AP*CP*GP*AP*CP*AP*AP*TP*TP*A)-3'), DNA (5'-D(*TP*CP*TP*AP*AP*TP*TP*G)-3'), DNA (5'-D(P*AP*GP*GP*TP*CP*TP*GP*C)-3'), ... Authors: Simmons, C.R, MacCulloch, T, Stephanopoulos, N, Yan, H. Deposit date: 2023-06-29 Release date: 2023-12-20 Method: X-RAY DIFFRACTION (3.05 Å) Cite: Site-Specific Arrangement and Structure Determination of Minor Groove Binding Molecules in Self-Assembled Three-Dimensional DNA Crystals. J.Am.Chem.Soc., 145, 2023
8TC1	Cryo-EM Structure of Spike Glycoprotein from Civet Coronavirus 007 in Closed Conformation Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, LINOLEIC ACID, ... Authors: Bostina, M, Hills, F.R, Eruera, A.R. Deposit date: 2023-06-29 Release date: 2024-05-01 Last modified: 2024-06-26 Method: ELECTRON MICROSCOPY (1.92 Å) Cite: Variation in structural motifs within SARS-related coronavirus spike proteins. Plos Pathog., 20, 2024
8TC0	Cryo-EM Structure of Spike Glycoprotein from Bat Coronavirus WIV1 in Closed Conformation Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... Authors: Bostina, M, Hills, F.R, Eruera, A. Deposit date: 2023-06-29 Release date: 2024-05-01 Last modified: 2024-06-26 Method: ELECTRON MICROSCOPY (1.88 Å) Cite: Variation in structural motifs within SARS-related coronavirus spike proteins. Plos Pathog., 20, 2024
8TBY	Apo Bcs1, unsymmetrized Descriptor: Mitochondrial chaperone BCS1 Authors: Zhan, J, Xia, D. Deposit date: 2023-06-29 Release date: 2024-06-05 Last modified: 2024-06-12 Method: ELECTRON MICROSCOPY (4.4 Å) Cite: Conformations of Bcs1L undergoing ATP hydrolysis suggest a concerted translocation mechanism for folded iron-sulfur protein substrate. Nat Commun, 15, 2024
8TBX	Crystal structure of human DDX1 helicase in complex with ADP Descriptor: ADENOSINE-5'-DIPHOSPHATE, ATP-dependent RNA helicase DDX1, MAGNESIUM ION, ... Authors: Zeng, H, Dong, A, Li, Y, Yen, H, Hejazi, Z, Seitova, A, Arrowsmith, C.H, Edwards, A.M, Halabelian, L. Deposit date: 2023-06-29 Release date: 2023-07-26 Last modified: 2023-08-16 Method: X-RAY DIFFRACTION (2.71 Å) Cite: Crystal structure of human DDX1 helicase in complex with ADP To be published
8TBW	Human Class I MHC HLA-A2 in complex with sorting nexin 24 (127-135) peptide KLSHQPVLL Descriptor: Beta-2-microglobulin, HLA-A*02:01 alpha chain, NITRATE ION, ... Authors: Arbuiso, A, Weiss, L.I, Brambley, C.A, Ma, J, Keller, G.L.J, Ayres, C.M, Baker, B.M. Deposit date: 2023-06-29 Release date: 2024-01-10 Last modified: 2024-02-14 Method: X-RAY DIFFRACTION (2.081 Å) Cite: Accurate modeling of peptide-MHC structures with AlphaFold. Structure, 32, 2024
8TBV	Human Class I MHC HLA-A2 in complex with sorting nexin 24 (127-135) neoantigen KLSHQLVLL Descriptor: Beta-2-microglobulin, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... Authors: Arbuiso, A, Weiss, L.I, Brambley, C.A, Ma, J, Keller, G.L.J, Ayres, C.M, Baker, B.M. Deposit date: 2023-06-29 Release date: 2024-01-17 Last modified: 2024-02-14 Method: X-RAY DIFFRACTION (2.64 Å) Cite: Accurate modeling of peptide-MHC structures with AlphaFold. Structure, 32, 2024
8TBU	Structure of human erythrocyte pyruvate kinase in complex with an allosteric activator Compound 12 Descriptor: 1,6-di-O-phosphono-beta-D-fructofuranose, 6-[(4-hydroxyphenyl)methyl]-2,4-dimethyl-4,6-dihydro-5H-[1,3]thiazolo[5',4':4,5]pyrrolo[2,3-d]pyridazin-5-one, MANGANESE (II) ION, ... Authors: Jin, L, Padyana, A. Deposit date: 2023-06-29 Release date: 2023-12-27 Last modified: 2024-03-20 Method: X-RAY DIFFRACTION (2.35 Å) Cite: Structure-Based Design of AG-946, a Pyruvate Kinase Activator. Chemmedchem, 19, 2024
8TBT	Structure of human erythrocyte pyruvate kinase in complex with an allosteric activator Compound 2 Descriptor: 1,6-di-O-phosphono-beta-D-fructofuranose, MANGANESE (II) ION, POTASSIUM ION, ... Authors: Jin, L, Padyana, A. Deposit date: 2023-06-29 Release date: 2023-12-27 Last modified: 2024-03-20 Method: X-RAY DIFFRACTION (2.34 Å) Cite: Structure-Based Design of AG-946, a Pyruvate Kinase Activator. Chemmedchem, 19, 2024

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