PDB: 17012 resultsInfo pagesStatus searchChemie searchBIRD

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7XDB	Cryo-EM structure of SARS-CoV-2 Omicron Spike protein in complex with BA7208 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, BA7208 fab, ... Authors: Liu, Z, Liu, S, Gao, Y.Z. Deposit date: 2022-03-26 Release date: 2023-03-01 Method: ELECTRON MICROSCOPY (2.62 Å) Cite: Biparatopic antibody BA7208/7125 effectively neutralizes SARS-CoV-2 variants including Omicron BA.1-BA.5. Cell Discov, 9, 2023
7XDL	Cryo-EM structure of SARS-CoV-2 Delta Spike protein in complex with BA7208 and BA7125 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, BA7125 fab, ... Authors: Liu, Z, Liu, S, Yuanzhu, G. Deposit date: 2022-03-27 Release date: 2023-03-15 Method: ELECTRON MICROSCOPY (3.08 Å) Cite: Biparatopic antibody BA7208/7125 effectively neutralizes SARS-CoV-2 variants including Omicron BA.1-BA.5. Cell Discov, 9, 2023
6PRW	CRYSTAL STRUCTURE OF THE CARBOXYLTRANSFERASE SUBUNIT OF ACC (ACCD6) IN COMPLEX WITH INHIBITOR QUIZALOFOP-P DERIVATIVE FROM MYCOBACTERIUM TUBERCULOSIS Descriptor: Propionyl-CoA carboxylase subunit beta, {4-[(6-chloroquinoxalin-2-yl)oxy]phenyl}acetic acid Authors: Reddy, M.C.M, Nian, Z, Michele, S.T.C, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC) Deposit date: 2019-07-11 Release date: 2020-07-22 Last modified: 2024-03-13 Method: X-RAY DIFFRACTION (2.609 Å) Cite: CRYSTAL STRUCTURE OF THE CARBOXYLTRANSFERASE SUBUNIT OF ACC (ACCD6) IN COMPLEX WITH INHIBITOR QUIZALOFOP-P DEVERIVATIVE FROM MYCOBACTERIUM TUBERCULOSIS To Be Published
6PWH	Cystal structure of Myotoxin II from Bothrops moojeni co-crystallized with Varespladib (LY315920) Descriptor: ({3-[amino(oxo)acetyl]-1-benzyl-2-ethyl-1H-indol-4-yl}oxy)acetic acid, Basic phospholipase A2 homolog 2, DIMETHYL SULFOXIDE Authors: Salvador, G.H.M, Fontes, M.R.M. Deposit date: 2019-07-23 Release date: 2019-12-04 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (1.749 Å) Cite: Structural basis for phospholipase A2-like toxin inhibition by the synthetic compound Varespladib (LY315920). Sci Rep, 9, 2019
7UTY	First bromodomain of BRD4 liganded with compound 2c Descriptor: 1,2-ETHANEDIOL, Bromodomain-containing protein 4, prop-2-en-1-yl (5S)-1-ethyl-7-methyl-5-(4-methylphenyl)-2,4-dioxo-1,2,3,4,5,8-hexahydropyrido[2,3-d]pyrimidine-6-carboxylate Authors: Schonbrunn, E, Chan, A. Deposit date: 2022-04-28 Release date: 2022-08-24 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (1.55 Å) Cite: 1,4-Dihydropyridinebutyrolactone-derived ring-opened ester and amide analogs targeting BET bromodomains. Arch Pharm, 355, 2022
8HRD	Crystal structure of the receptor binding domain of SARS-CoV-2 Delta variant in complex with IMCAS74 Fab and W14 Fab Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, IMCAS74 Fab heavy chain, IMCAS74 Fab light chain, ... Authors: Zhao, R.C, Wu, L.L, Han, P. Deposit date: 2022-12-15 Release date: 2023-12-20 Last modified: 2023-12-27 Method: X-RAY DIFFRACTION (2.86 Å) Cite: Defining a de novo non-RBM antibody as RBD-8 and its synergistic rescue of immune-evaded antibodies to neutralize Omicron SARS-CoV-2. Proc.Natl.Acad.Sci.USA, 120, 2023
6R2S	The structure of Plasmodium vivax Duffy binding protein (PvDBP) bound to human antibody DB9 Descriptor: Antibody DB9 heavy chain, Antibody DB9 light chain, Duffy receptor Authors: Barber, N.M, Higgins, M.K. Deposit date: 2019-03-18 Release date: 2019-03-27 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (3.04 Å) Cite: Structural basis for inhibition of Plasmodium vivax invasion by a broadly neutralizing vaccine-induced human antibody. Nat Microbiol, 4, 2019
7Y3O	Crystal structure of SARS-CoV-2 receptor binding domain in complex with human antibody BIOLS56 Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of BIOLS56, Light chain of BIOLS56, ... Authors: Rao, X, Gao, F, Wu, Y, Gao, F. Deposit date: 2022-06-11 Release date: 2023-12-27 Method: X-RAY DIFFRACTION (2.1 Å) Cite: Defining a de novo non-RBM antibody as RBD-8 and its synergistic rescue of immune-evaded antibodies to neutralize Omicron SARS-CoV-2. Proc.Natl.Acad.Sci.USA, 120, 2023
7Y3N	Crystal structure of SARS-CoV receptor binding domain in complex with human antibody BIOLS56 Descriptor: 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, Heavy chain of BIOLS56, ... Authors: Rao, X, Chai, Y, Wu, Y, Gao, F. Deposit date: 2022-06-11 Release date: 2023-12-27 Method: X-RAY DIFFRACTION (2.97 Å) Cite: Defining a de novo non-RBM antibody as RBD-8 and its synergistic rescue of immune-evaded antibodies to neutralize Omicron SARS-CoV-2. Proc.Natl.Acad.Sci.USA, 120, 2023
4UV7	The complex structure of extracellular domain of EGFR and GC1118A Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, EPIDERMAL GROWTH FACTOR RECEPTOR, ... Authors: Yoo, J.H, Cho, H.S. Deposit date: 2014-08-05 Release date: 2015-10-14 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (2.1 Å) Cite: Gc1118, an Anti-Egfr Antibody with a Distinct Binding Epitope and Superior Inhibitory Activity Against High-Affinity Egfr Ligands. Mol.Cancer Ther., 15, 2016
4HR3	Structure of a putative acyl-CoA dehydrogenase from Mycobacterium abscessus Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, Putative acyl-CoA dehydrogenase Authors: Seattle Structural Genomics Center for Infectious Disease (SSGCID) Deposit date: 2012-10-26 Release date: 2012-11-14 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (1.8 Å) Cite: Increasing the structural coverage of tuberculosis drug targets. Tuberculosis (Edinb), 95, 2015
4I1Y	The structure of Cysteine synthase from Mycobacterium ulcerans Agy99 Descriptor: CHLORIDE ION, Cysteine synthase, SULFATE ION Authors: Seattle Structural Genomics Center for Infectious Disease (SSGCID) Deposit date: 2012-11-21 Release date: 2012-12-26 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (2.6 Å) Cite: Increasing the structural coverage of tuberculosis drug targets. Tuberculosis (Edinb), 95, 2015
4IV6	X-ray crystal structure of an isovaleryl-CoA dehydrogenase from Mycobacterium smegmatis Descriptor: Acyl-CoA dehydrogenase FadE3, DIHYDROFLAVINE-ADENINE DINUCLEOTIDE Authors: Seattle Structural Genomics Center for Infectious Disease (SSGCID) Deposit date: 2013-01-22 Release date: 2013-03-20 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (2 Å) Cite: Increasing the structural coverage of tuberculosis drug targets. Tuberculosis (Edinb), 95, 2015
4IZ9	Crystal structure of an acetate kinase from Mycobacterium avium bound to an unknown acid-ApCpp conjugate and manganese Descriptor: 1,2-ETHANEDIOL, Acetate kinase, DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, ... Authors: Seattle Structural Genomics Center for Infectious Disease (SSGCID) Deposit date: 2013-01-29 Release date: 2013-02-20 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (1.98 Å) Cite: Increasing the structural coverage of tuberculosis drug targets. Tuberculosis (Edinb), 95, 2015
4J3J	Crystal Structure of DPP-IV with Compound C3 Descriptor: Dipeptidyl peptidase 4, N-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butyl]-6-(trifluoromethyl)-3,4-dihydropyrrolo[1,2-a]pyrazine-2(1H)-carboxamide Authors: Xiong, B, Zhu, L.R, Chen, D.Q, Zhao, Y.L, Jiang, F, Shen, J.K. Deposit date: 2013-02-05 Release date: 2014-02-05 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (3.2 Å) Cite: Design and synthesis of 4-(2,4,5-trifluorophenyl)butane-1,3-diamines as dipeptidyl peptidase IV inhibitors Chemmedchem, 8, 2013
4J5I	Crystal structure of an alpha-ketoglutarate-dependent taurine dioxygenase from Mycobacterium smegmatis Descriptor: 1,2-ETHANEDIOL, Alpha-ketoglutarate-dependent taurine dioxygenase, FE (III) ION, ... Authors: Seattle Structural Genomics Center for Infectious Disease (SSGCID) Deposit date: 2013-02-08 Release date: 2013-02-20 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (2.6 Å) Cite: Increasing the structural coverage of tuberculosis drug targets. Tuberculosis (Edinb), 95, 2015
4JLV	Crystal structure of the chimerical protein CapA1B1 in complex with ADP-Mg Descriptor: ADENOSINE-5'-DIPHOSPHATE, C-terminal fragment of Membrane protein CapA1, Putative uncharacterized protein capB1, ... Authors: Gruszczyk, J, Olivares-Illana, V, Nourikyan, J, Fleurie, A, Bechet, E, Aumont-Nicaise, M, Gueguen-Chaignon, V, Morera, S, Grangeasse, C, Nessler, S. Deposit date: 2013-03-13 Release date: 2014-02-05 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (2.2 Å) Cite: Comparative analysis of the Tyr-kinases CapB1 and CapB2 fused to their cognate modulators CapA1 and CapA2 from Staphylococcus aureus Plos One, 8, 2013
4HDT	Crystal structure of a Carnitinyl-CoA dehydratase from Mycobacterium thermoresistibile Descriptor: 3-hydroxyisobutyryl-CoA hydrolase, ACETATE ION, CHLORIDE ION, ... Authors: Seattle Structural Genomics Center for Infectious Disease (SSGCID) Deposit date: 2012-10-02 Release date: 2012-10-10 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (1.6 Å) Cite: Increasing the structural coverage of tuberculosis drug targets. Tuberculosis (Edinb), 95, 2015
4IJN	Crystal structure of an acetate kinase from Mycobacterium smegmatis bound to AMP and sulfate Descriptor: 1,2-ETHANEDIOL, ADENOSINE MONOPHOSPHATE, Acetate kinase, ... Authors: Seattle Structural Genomics Center for Infectious Disease (SSGCID) Deposit date: 2012-12-21 Release date: 2013-01-16 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (1.7 Å) Cite: Increasing the structural coverage of tuberculosis drug targets. Tuberculosis (Edinb), 95, 2015
1GYQ	CRYSTAL STRUCTURE OF GLYCOSOMAL GLYCERALDEHYDE FROM LEISHMANIA MEXICANA IN COMPLEX WITH N6-BENZYL-NAD Descriptor: N6-BENZYL-NICOTINAMIDE-ADENINE-DINUCLEOTIDE, PROTEIN (GLYCERALDEHYDE-3-PHOSPHATE DEHYDROGENASE) Authors: Suresh, S, Hol, W. Deposit date: 1999-03-05 Release date: 1999-03-16 Last modified: 2023-08-09 Method: X-RAY DIFFRACTION (3.4 Å) Cite: Structure-based design of submicromolar, biologically active inhibitors of trypanosomatid glyceraldehyde-3-phosphate dehydrogenase. Proc.Natl.Acad.Sci.USA, 96, 1999
4JMP	Crystal structure of the chimerical protein CapA2B2 Descriptor: C-terminal fragment of CapA, Protein tyrosine kinase Authors: Olivares-Illana, V, Morera, S, Grangeasse, C, Nessler, S. Deposit date: 2013-03-14 Release date: 2014-02-05 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (1.3 Å) Cite: Comparative analysis of the Tyr-kinases CapB1 and CapB2 fused to their cognate modulators CapA1 and CapA2 from Staphylococcus aureus Plos One, 8, 2013
4KAM	X-ray crystal structure of O-acetylhomoserine sulfhydrylase MetC from Mycobacterium marinum ATCC BAA-535 / M Descriptor: O-acetylhomoserine sulfhydrylase MetC, SULFATE ION Authors: Seattle Structural Genomics Center for Infectious Disease (SSGCID) Deposit date: 2013-04-22 Release date: 2013-05-01 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (2 Å) Cite: Increasing the structural coverage of tuberculosis drug targets. Tuberculosis (Edinb), 95, 2015
4HS3	Crystal structure of H-2Kb with a disulfide stabilized F pocket in complex with the LCMV derived peptide GP34 Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, Beta-2-microglobulin, Envelope glycoprotein, ... Authors: Uchtenhagen, H, Boulanger, B, Hein, Z, Abualrous, E.T, Zacharias, M, Werner, J, Elliott, T, Springer, S, Achour, A. Deposit date: 2012-10-29 Release date: 2014-05-07 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (2.1 Å) Cite: Peptide-independent stabilization of MHC class I molecules breaches cellular quality control. J.Cell.Sci., 127, 2014
3V4O	Human MALT1 (caspase domain) in complex with an irreversible peptidic inhibitor Descriptor: MALT1 Inhibitor, Mucosa-associated lymphoid tissue lymphoma translocation protein 1 Authors: Renatus, M, Wiesmann, C. Deposit date: 2011-12-15 Release date: 2012-03-14 Last modified: 2023-11-29 Method: X-RAY DIFFRACTION (2.1 Å) Cite: Structural Determinants of MALT1 Protease Activity. J.Mol.Biol., 419, 2012
3CWB	Chicken Cytochrome BC1 Complex inhibited by an iodinated analogue of the polyketide Crocacin-D Descriptor: 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, AZIDE ION, CARDIOLIPIN, ... Authors: Huang, L, Cromartie, T, Viner, R, Crowley, P.J, Berry, E.A. Deposit date: 2008-04-21 Release date: 2008-08-12 Last modified: 2023-08-30 Method: X-RAY DIFFRACTION (3.51 Å) Cite: The role of molecular modeling in the design of analogues of the fungicidal natural products crocacins A and D. Bioorg.Med.Chem., 16, 2008

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