PDB: 222624 resultsInfo pagesStatus searchChemie searchBIRD

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8W15	HTT in complex with HAP40 in the apo state. Descriptor: 40-kDa huntingtin-associated protein, Huntingtin Authors: Poweleit, N, Boudet, J, Doherty, E. Deposit date: 2024-02-15 Release date: 2024-03-13 Method: ELECTRON MICROSCOPY (2.72 Å) Cite: Discovery of a Small Molecule Ligand to the Huntingtin/HAP40 complex To Be Published
8W12	Cryo-EM structure of VP3-VP6 heterohexamer Descriptor: Core protein VP3, VP6 Authors: Xia, X, Sung, P.Y, Martynowycz, M.W, Gonen, T, Roy, P, Zhou, Z.H. Deposit date: 2024-02-14 Release date: 2024-04-24 Last modified: 2024-05-08 Method: ELECTRON MICROSCOPY (3.5 Å) Cite: RNA genome packaging and capsid assembly of bluetongue virus visualized in host cells. Cell, 187, 2024
8W0Z	Human LCAD complexed with Lauric Acid Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, LAURIC ACID, Long-chain specific acyl-CoA dehydrogenase, ... Authors: Xia, C, Kim, J.J.P. Deposit date: 2024-02-14 Release date: 2024-06-19 Method: X-RAY DIFFRACTION (2 Å) Cite: Structural basis for expanded substrate specificities of human long chain acyl-CoA dehydrogenase and related acyl-CoA dehydrogenases. Sci Rep, 14, 2024
8W0Y	Crystal structure of broadly neutralizing antibody hcab17 in complex with Hepatitis C virus envelope glycoprotein E2 ectodomain Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein E2, ... Authors: Flyak, A.I, Wilcox, X.E. Deposit date: 2024-02-14 Release date: 2024-03-27 Last modified: 2024-04-17 Method: X-RAY DIFFRACTION (3.31 Å) Cite: Convergent evolution and targeting of diverse E2 epitopes by human broadly neutralizing antibodies are associated with HCV clearance. Immunity, 57, 2024
8W0X	Crystal structure of broadly neutralizing antibody hcab40 in complex with Hepatitis C virus envelope glycoprotein E2 ectodomain Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein E2, ... Authors: Flyak, A.I, Wilcox, X.E. Deposit date: 2024-02-14 Release date: 2024-03-27 Last modified: 2024-04-17 Method: X-RAY DIFFRACTION (3.12 Å) Cite: Convergent evolution and targeting of diverse E2 epitopes by human broadly neutralizing antibodies are associated with HCV clearance. Immunity, 57, 2024
8W0W	Crystal structure of broadly neutralizing antibody hcab64 in complex with Hepatitis C virus envelope glycoprotein E2 ectodomain Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein E2, ... Authors: Flyak, A.I, Wilcox, X.E. Deposit date: 2024-02-14 Release date: 2024-03-27 Last modified: 2024-04-17 Method: X-RAY DIFFRACTION (2.13 Å) Cite: Convergent evolution and targeting of diverse E2 epitopes by human broadly neutralizing antibodies are associated with HCV clearance. Immunity, 57, 2024
8W0V	Crystal structure of broadly neutralizing antibody hcab55 in complex with Hepatitis C virus envelope glycoprotein E2 ectodomain Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein E2, ... Authors: Flyak, A.I, Wilcox, X.E. Deposit date: 2024-02-14 Release date: 2024-03-27 Last modified: 2024-04-17 Method: X-RAY DIFFRACTION (2.59 Å) Cite: Convergent evolution and targeting of diverse E2 epitopes by human broadly neutralizing antibodies are associated with HCV clearance. Immunity, 57, 2024
8W0U	Human LCAD complexed with Acetoacetyl Coenzyme A Descriptor: ACETOACETYL-COENZYME A, FLAVIN-ADENINE DINUCLEOTIDE, Long-chain specific acyl-CoA dehydrogenase, ... Authors: Xia, C, Kim, J.J.P. Deposit date: 2024-02-14 Release date: 2024-06-19 Method: X-RAY DIFFRACTION (2.8 Å) Cite: Structural basis for expanded substrate specificities of human long chain acyl-CoA dehydrogenase and related acyl-CoA dehydrogenases. Sci Rep, 14, 2024
8W0T	Human LCAD Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, Long-chain specific acyl-CoA dehydrogenase, mitochondrial Authors: Xia, C, Kim, J.J.P. Deposit date: 2024-02-14 Release date: 2024-06-19 Method: X-RAY DIFFRACTION (2.5 Å) Cite: Structural basis for expanded substrate specificities of human long chain acyl-CoA dehydrogenase and related acyl-CoA dehydrogenases. Sci Rep, 14, 2024
8W0S	Human EBP complexed with compound 3a Descriptor: 1-methyl-8-[(oxan-4-yl)methyl]-3-[4-(trifluoromethyl)phenyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione, 3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase Authors: Sun, D, Masureel, M. Deposit date: 2024-02-14 Release date: 2024-06-19 Method: ELECTRON MICROSCOPY (2.8 Å) Cite: Discovery and Optimization of Selective Brain-Penetrant EBP Inhibitors that Enhance Oligodendrocyte Formation. J.Med.Chem., 67, 2024
8W0R	Human EBP complexed with compound 1 Descriptor: 1-methyl-1'-[(oxan-4-yl)methyl]-5-(trifluoromethyl)spiro[indole-2,4'-piperidin]-3(1H)-one, 3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase Authors: Sun, D, Masureel, M. Deposit date: 2024-02-14 Release date: 2024-06-19 Method: ELECTRON MICROSCOPY (2.8 Å) Cite: Discovery and Optimization of Selective Brain-Penetrant EBP Inhibitors that Enhance Oligodendrocyte Formation. J.Med.Chem., 67, 2024
8W0Q	Pembrolizumab CDR-H3 Loop Mimic Descriptor: Pembrolizumab CDR-H3 Loop Mimic Authors: Feig, M, Roche, S.P. Deposit date: 2024-02-14 Release date: 2024-07-03 Last modified: 2024-07-10 Method: SOLUTION NMR Cite: De Novo Synthesis and Structural Elucidation of CDR-H3 Loop Mimics. Acs Chem.Biol., 2024
8W0M	Crystal structure of Acetyl-CoA synthetase 2 from Candida albicans in complex with a Acetyl Sulfamate AMP ester inhibitor Descriptor: 5'-O-(acetylsulfamoyl)adenosine, Acetyl-coenzyme A synthetase 2 Authors: Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID) Deposit date: 2024-02-13 Release date: 2024-02-21 Method: X-RAY DIFFRACTION (3.1 Å) Cite: Crystal structure of Acetyl-CoA synthetase 2 from Candida albicans in complex with a Acetyl Sulfamate AMP ester inhibitor To be published
8W0L	Crystal structure of Acetyl-CoA synthetase 2 from Candida albicans in complex with a propyne AMP ester inhibitor and CoA Descriptor: 5'-O-{(S)-hydroxy[(prop-2-yn-1-yl)oxy]phosphoryl}adenosine, Acetyl-coenzyme A synthetase 2, CHLORIDE ION, ... Authors: Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID) Deposit date: 2024-02-13 Release date: 2024-02-21 Method: X-RAY DIFFRACTION (2.75 Å) Cite: Crystal structure of Acetyl-CoA synthetase 2 from Candida albicans in complex with a propyne AMP ester inhibitor and CoA To be published
8W0K	Minimal PutA proline dehydrogenase domain (design #2) complexed with 1-hydroxyethane-1-sulfonate Descriptor: (1R)-1-hydroxyethane-1-sulfonic acid, Bifunctional protein PutA fusion protein, FLAVIN-ADENINE DINUCLEOTIDE Authors: Tanner, J.J, Meeks, K.R. Deposit date: 2024-02-13 Release date: 2024-07-03 Method: X-RAY DIFFRACTION (1.42 Å) Cite: Screening a knowledge-based library of low molecular weight compounds against the proline biosynthetic enzyme 1-pyrroline-5-carboxylate 1 (PYCR1) Protein Sci., 33, 2024
8W0J	Crystal structure of Acetyl-CoA synthetase 2 from Candida albicans in complex with a propyne AMP ester inhibitor Descriptor: 5'-O-{(S)-hydroxy[(prop-2-yn-1-yl)oxy]phosphoryl}adenosine, Acetyl-coenzyme A synthetase 2, CHLORIDE ION, ... Authors: Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID) Deposit date: 2024-02-13 Release date: 2024-02-21 Method: X-RAY DIFFRACTION (2.85 Å) Cite: Crystal structure of Acetyl-CoA synthetase 2 from Candida albicans in complex with a propyne AMP ester inhibitor To be published
8W0H	Crystal structure of Acetyl-CoA synthetase 2 from Candida albicans in complex with an isopropyl AMP ester inhibitor (trigonal form) Descriptor: 5'-O-{(R)-hydroxy[(propan-2-yl)oxy]phosphoryl}adenosine, Acetyl-coenzyme A synthetase 2, CHLORIDE ION, ... Authors: Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID) Deposit date: 2024-02-13 Release date: 2024-02-21 Method: X-RAY DIFFRACTION (2.95 Å) Cite: Crystal structure of Acetyl-CoA synthetase 2 from Candida albicans in complex with an isopropyl AMP ester inhibitor (trigonal form) To be published
8W0D	Crystal structure of Acetyl-CoA synthetase 2 from Candida albicans in complex with an isopropyl AMP ester inhibitor Descriptor: 5'-O-{(R)-hydroxy[(propan-2-yl)oxy]phosphoryl}adenosine, Acetyl-coenzyme A synthetase 2, CHLORIDE ION, ... Authors: Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID) Deposit date: 2024-02-13 Release date: 2024-02-21 Method: X-RAY DIFFRACTION (2.7 Å) Cite: Crystal structure of Acetyl-CoA synthetase 2 from Candida albicans in complex with an isopropyl AMP ester inhibitor To be published
8W0C	Crystal structure of Acetyl-CoA synthetase 2 from Candida albicans in complex with a cyclopentyl ester AMP inhibitor Descriptor: 5'-O-[(S)-(cyclopentyloxy)(hydroxy)phosphoryl]adenosine, Acetyl-coenzyme A synthetase 2, CHLORIDE ION, ... Authors: Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID) Deposit date: 2024-02-13 Release date: 2024-02-21 Method: X-RAY DIFFRACTION (2.35 Å) Cite: Crystal structure of Acetyl-CoA synthetase 2 from Candida albicans in complex with a cyclopentyl ester AMP inhibitor To be published
8W0B	Crystal structure of Acetyl-CoA synthetase 2 from Candida albicans in complex with a cyclopropyl AMP ester inhibitor Descriptor: 5'-O-[(R)-(cyclopropyloxy)(hydroxy)phosphoryl]adenosine, Acetyl-coenzyme A synthetase 2, GLYCEROL, ... Authors: Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID) Deposit date: 2024-02-13 Release date: 2024-02-21 Method: X-RAY DIFFRACTION (2.3 Å) Cite: Crystal structure of Acetyl-CoA synthetase 2 from Candida albicans in complex with a cyclopropyl AMP ester inhibitor To be published
8W0A	Human DNA polymerase theta helicase domain in complex with ssDNA, dimer form Descriptor: DNA (5'-D(P*TP*TP*TP*TP*TP*TP*T)-3'), DNA polymerase theta Authors: Ito, F, Li, Z, Chen, X.S. Deposit date: 2024-02-13 Release date: 2024-06-26 Method: ELECTRON MICROSCOPY (3.2 Å) Cite: Structural Basis for Pol theta-Helicase DNA Binding and Microhomology-Mediated End-Joining. Biorxiv, 2024
8W09	HIV-1 wild-type intasome core Descriptor: (4R,12aS)-N-(2,4-difluorobenzyl)-7-hydroxy-4-methyl-6,8-dioxo-3,4,6,8,12,12a-hexahydro-2H-pyrido[1',2':4,5]pyrazino[2,1-b][1,3]oxazine-9-carboxamide, Integrase, MAGNESIUM ION, ... Authors: Li, M, Craigie, R. Deposit date: 2024-02-13 Release date: 2024-04-17 Last modified: 2024-04-24 Method: ELECTRON MICROSCOPY (3.2 Å) Cite: HIV-1 Integrase Assembles Multiple Species of Stable Synaptic Complex Intasomes That Are Active for Concerted DNA Integration In vitro. J.Mol.Biol., 436, 2024
8W07	Crystal Structure of the ER-alpha Ligand-binding Domain (L372S, L536S) in complex with k-402 Descriptor: (1R,2S,4R)-N-cyclohexyl-5,6-bis(4-hydroxyphenyl)-N-(4-methoxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide, (1S,2R,4S)-N-cyclohexyl-5,6-bis(4-hydroxyphenyl)-N-(4-methoxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide, Estrogen receptor Authors: Min, C.K, Nwachukwu, J.C, Hou, Y, Russo, R.J, Papa, A, Min, J, Peng, R, Kim, S.H, Ziegler, Y, Rangarajan, E.S, Izard, T, Katzenellenbogen, B.S, Katzenellenbogen, J.K, Nettles, K.W. Deposit date: 2024-02-13 Release date: 2024-06-12 Method: X-RAY DIFFRACTION (1.83 Å) Cite: Asymmetric allostery in estrogen receptor-alpha homodimers drives responses to the ensemble of estrogens in the hormonal milieu. Proc.Natl.Acad.Sci.USA, 121, 2024
8W04	Crystal structure of DUF1735-domain containing protein (GH18-like) from Bacteroides faecium at 2.9 A resolution (Space group P21) Descriptor: DUF1735 domain-containing protein Authors: Sastre, D.E, Navarro, M.V.A.S, Sultana, N, Sundberg, E.J. Deposit date: 2024-02-13 Release date: 2024-05-29 Last modified: 2024-06-26 Method: X-RAY DIFFRACTION (2.91 Å) Cite: Human gut microbes express functionally distinct endoglycosidases to metabolize the same N-glycan substrate. Nat Commun, 15, 2024
8W03	Crystal Structure of the ER-alpha Ligand-binding Domain (L372S, L536S) in complex with k-1154 Descriptor: (1S,2R,4S)-N-(4-chlorophenyl)-5,6-bis(4-hydroxyphenyl)-N-(2,2,2-trifluoroethyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide, Estrogen receptor Authors: Min, C.K, Nwachukwu, J.C, Hou, Y, Russo, R.J, Papa, A, Min, J, Peng, R, Kim, S.H, Ziegler, Y, Rangarajan, E.S, Izard, T, Katzenellenbogen, B.S, Katzenellenbogen, J.A, Nettles, K.W. Deposit date: 2024-02-13 Release date: 2024-06-12 Method: X-RAY DIFFRACTION (1.68 Å) Cite: Asymmetric allostery in estrogen receptor-alpha homodimers drives responses to the ensemble of estrogens in the hormonal milieu. Proc.Natl.Acad.Sci.USA, 121, 2024

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