6TP0
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4RXM
| Crystal structure of periplasmic ABC transporter solute binding protein A7JW62 from Mannheimia haemolytica PHL213, Target EFI-511105, in complex with Myo-inositol | Descriptor: | 1,2,3,4,5,6-HEXAHYDROXY-CYCLOHEXANE, ASPARTIC ACID, CHLORIDE ION, ... | Authors: | Patskovsky, Y, Toro, R, Bhosle, R, Al Obaidi, N, Morisco, L.L, Wasserman, S.R, Chamala, S, Attonito, J.D, Scott Glenn, A, Chowdhury, S, Lafleur, J, Hillerich, B, Siedel, R.D, Love, J, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | Deposit date: | 2014-12-11 | Release date: | 2014-12-24 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Crystal structure of solute binding sugar transporter A7JW62 from Mannheimia haemolytica, Target EFI-511105. To be Published
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5D46
| Structural Basis for a New Templated Activity by Terminal Deoxynucleotidyl Transferase: Implications for V(D)J Recombination | Descriptor: | ACETATE ION, DNA (5'-D(*AP*AP*AP*AP*AP*A)-3'), DNA (5'-D(*TP*TP*TP*TP*TP*GP*C)-3'), ... | Authors: | Loc'h, J, Rosario, S, Delarue, M. | Deposit date: | 2015-08-07 | Release date: | 2016-07-27 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural Basis for a New Templated Activity by Terminal Deoxynucleotidyl Transferase: Implications for V(D)J Recombination. Structure, 24, 2016
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8TOW
| Structure of a mutated photosystem II complex reveals perturbation of the oxygen-evolving complex | Descriptor: | (3R)-beta,beta-caroten-3-ol, 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, ... | Authors: | Flesher, D.A, Liu, J, Wang, J, Gisriel, C.J, Yang, K.R, Batista, V.S, Debus, R.J, Brudvig, G.W. | Deposit date: | 2023-08-04 | Release date: | 2024-06-19 | Last modified: | 2024-07-24 | Method: | ELECTRON MICROSCOPY (2.14 Å) | Cite: | Mutation-induced shift of the photosystem II active site reveals insight into conserved water channels. J.Biol.Chem., 300, 2024
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7JZU
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5ER4
| Crystal Structure of Calcium-loaded S100B bound to SC0025 | Descriptor: | 6-methyl-5,6,6~{a},7-tetrahydro-4~{H}-dibenzo[de,g]quinoline-10,11-diol, CALCIUM ION, Protein S100-B | Authors: | Cavalier, M.C, Melville, Z.E, Aligholizadeh, E, Fang, L, Alasady, M.J, Pierce, A.D, Wilder, P.T, MacKerell Jr, A.D, Weber, D.J. | Deposit date: | 2015-11-13 | Release date: | 2016-06-08 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.813 Å) | Cite: | Novel protein-inhibitor interactions in site 3 of Ca(2+)-bound S100B as discovered by X-ray crystallography. Acta Crystallogr D Struct Biol, 72, 2016
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7XMF
| Cryo-EM structure of human NaV1.7/beta1/beta2-Nav1.7-IN2 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 3-[[4-[3-(4-fluoranyl-2-methyl-phenoxy)azetidin-1-yl]pyrimidin-2-yl]amino]-~{N}-methyl-benzamide, ... | Authors: | Zhang, J.T, Jiang, D.H. | Deposit date: | 2022-04-25 | Release date: | 2022-11-30 | Last modified: | 2022-12-28 | Method: | ELECTRON MICROSCOPY (3.07 Å) | Cite: | Structural basis for Na V 1.7 inhibition by pore blockers. Nat.Struct.Mol.Biol., 29, 2022
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7XMG
| Cryo-EM structure of human NaV1.7/beta1/beta2-TCN-1752 | Descriptor: | (1~{Z})-~{N}-[2-methyl-3-[(~{E})-[6-[4-[[4-(trifluoromethyloxy)phenyl]methoxy]piperidin-1-yl]-1~{H}-1,3,5-triazin-2-ylidene]amino]phenyl]ethanimidic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Jiang, D.H, Zhang, J.T. | Deposit date: | 2022-04-25 | Release date: | 2022-11-30 | Last modified: | 2022-12-28 | Method: | ELECTRON MICROSCOPY (3.09 Å) | Cite: | Structural basis for Na V 1.7 inhibition by pore blockers. Nat.Struct.Mol.Biol., 29, 2022
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7XM9
| Cryo-EM structure of human NaV1.7/beta1/beta2-XEN907 | Descriptor: | (7~{R})-1'-pentylspiro[6~{H}-furo[3,2-f][1,3]benzodioxole-7,3'-indole]-2'-one, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | zhang, J.T, Jiang, D.H. | Deposit date: | 2022-04-25 | Release date: | 2022-11-30 | Last modified: | 2022-12-28 | Method: | ELECTRON MICROSCOPY (3.22 Å) | Cite: | Structural basis for Na V 1.7 inhibition by pore blockers. Nat.Struct.Mol.Biol., 29, 2022
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7JSJ
| Structure of the NaCT-PF2 complex | Descriptor: | (2R)-2-[2-(4-tert-butylphenyl)ethyl]-2-hydroxybutanedioic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, SODIUM ION, ... | Authors: | Sauer, D.B, Wang, B, Song, J, Rice, W.J, Wang, D.N. | Deposit date: | 2020-08-14 | Release date: | 2021-02-24 | Last modified: | 2021-03-10 | Method: | ELECTRON MICROSCOPY (3.12 Å) | Cite: | Structure and inhibition mechanism of the human citrate transporter NaCT. Nature, 591, 2021
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6MF0
| Crystal Structure Determination of Human/Porcine Chimera Coagulation Factor VIII | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, COPPER (I) ION, ... | Authors: | Smith, I.W, Spiegel, P.C. | Deposit date: | 2018-09-07 | Release date: | 2019-09-11 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (3.19999886 Å) | Cite: | The 3.2 angstrom structure of a bioengineered variant of blood coagulation factor VIII indicates two conformations of the C2 domain. J.Thromb.Haemost., 18, 2020
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7BEM
| Crystal structure of the receptor binding domain of SARS-CoV-2 Spike glycoprotein in complex with COVOX-269 scFv | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, COVOX-269 Vh domain, ... | Authors: | Zhou, D, Zhao, Y, Ren, J, Stuart, D. | Deposit date: | 2020-12-24 | Release date: | 2021-03-03 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.52 Å) | Cite: | The antigenic anatomy of SARS-CoV-2 receptor binding domain. Cell, 184, 2021
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4RY8
| Crystal structure of 5-methylthioribose transporter solute binding protein TLET_1677 from Thermotoga lettingae TMO TARGET EFI-511109 in complex with 5-methylthioribose | Descriptor: | 5-S-methyl-5-thio-alpha-D-ribofuranose, Periplasmic binding protein | Authors: | Patskovsky, Y, Toro, R, Bhosle, R, Al obaidi, N, Morisco, L.L, Wasserman, S.R, Chamala, S, Attonito, J.D, Scott glenn, A, Chowdhury, S, Lafleur, J, Hillerich, B, Siede, R.D, Love, J, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | Deposit date: | 2014-12-13 | Release date: | 2014-12-24 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Crystal structure of 5-methylthioribose binding protein TLET_1677 from Thermotoga lettingae TARGET EFI-511109 To be Published
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7BEH
| Crystal structure of the receptor binding domain of SARS-CoV-2 Spike glycoprotein in complex with COVOX-316 Fab | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, COVOX-316 heavy chain, ... | Authors: | Zhou, D, Zhao, Y, Ren, J, Stuart, D. | Deposit date: | 2020-12-23 | Release date: | 2021-03-03 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | The antigenic anatomy of SARS-CoV-2 receptor binding domain. Cell, 184, 2021
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7BEK
| Crystal structure of the receptor binding domain of SARS-CoV-2 Spike glycoprotein in complex with COVOX-158 Fab (crystal form 2) | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ... | Authors: | Zhou, D, Zhao, Y, Ren, J, Stuart, D. | Deposit date: | 2020-12-23 | Release date: | 2021-03-03 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.04 Å) | Cite: | The antigenic anatomy of SARS-CoV-2 receptor binding domain. Cell, 184, 2021
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7BEI
| Crystal structure of the receptor binding domain of SARS-CoV-2 Spike glycoprotein in complex with COVOX-150 Fab | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, COVOX-150 heavy chain, ... | Authors: | Zhou, D, Zhao, Y, Ren, J, Stuart, D. | Deposit date: | 2020-12-23 | Release date: | 2021-03-03 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | The antigenic anatomy of SARS-CoV-2 receptor binding domain. Cell, 184, 2021
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7BEJ
| Crystal structure of the receptor binding domain of SARS-CoV-2 Spike glycoprotein in complex with COVOX-158 Fab (crystal form 1) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, COVOX-158 heavy chain, COVOX-158 light chain, ... | Authors: | Zhou, D, Zhao, Y, Ren, J, Stuart, D. | Deposit date: | 2020-12-23 | Release date: | 2021-03-03 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.42 Å) | Cite: | The antigenic anatomy of SARS-CoV-2 receptor binding domain. Cell, 184, 2021
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5G3L
| ESCHERICHIA COLI HEAT LABILE ENTEROTOXIN TYPE IIB B-PENTAMER COMPLEXED WITH SIALYLATED SUGAR | Descriptor: | HEAT-LABILE ENTEROTOXIN IIB, B CHAIN, N-acetyl-alpha-neuraminic acid, ... | Authors: | Zalem, D, Benktander, J, Ribeiro, J.P, Varrot, A, Lebens, M, Imberty, A, Teneberg, S. | Deposit date: | 2016-04-29 | Release date: | 2016-09-14 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | Biochemical and Structural Characterization of the Novel Sialic Acid-Binding Site of Escherichia Coli Heat-Labile Enterotoxin Lt-Iib. Biochem.J., 473, 2016
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6UT0
| Identification of the Clinical Development Candidate MRTX849, a Covalent KRASG12C Inhibitor for the Treatment of Cancer | Descriptor: | GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Vigers, G.P, Smith, D.J. | Deposit date: | 2019-10-29 | Release date: | 2020-04-22 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Identification of the Clinical Development CandidateMRTX849, a Covalent KRASG12CInhibitor for the Treatment of Cancer. J.Med.Chem., 63, 2020
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7LFL
| MODEL OF MHC CLASS Ib H2-M3 WITH MOUSE ND1 N-TERMINAL HEPTAPEPTIDE, VAL MUTANT, MONOCLINIC CELL, REFINED AT 1.60 ANGSTROMS RESOLUTION | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-2-microglobulin, Heptapeptide from NADH-ubiquinone oxidoreductase chain 1, ... | Authors: | Tomchick, D.R, Deisenhofer, J, Shen, S. | Deposit date: | 2021-01-17 | Release date: | 2021-07-14 | Last modified: | 2022-12-28 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structure and dynamics of major histocompatibility class Ib molecule H2-M3 complexed with mitochondrial-derived peptides. J.Biomol.Struct.Dyn., 40, 2022
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7JSK
| Structure of the NaCT-Citrate complex | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CITRIC ACID, SODIUM ION, ... | Authors: | Sauer, D.B, Wang, B, Song, J, Rice, W.J, Wang, D.N. | Deposit date: | 2020-08-14 | Release date: | 2021-02-24 | Last modified: | 2021-03-10 | Method: | ELECTRON MICROSCOPY (3.04 Å) | Cite: | Structure and inhibition mechanism of the human citrate transporter NaCT. Nature, 591, 2021
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6BXA
| Crystal structure of N-terminal fragment of Zebrafish Toll-Like Receptor 5 (TLR5) with Lamprey Variable Lymphocyte Receptor 2 (VLR2) bound | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Gunn, R.J, Wilson, I.A, Cooper, M.D, Herrin, B.R. | Deposit date: | 2017-12-18 | Release date: | 2018-05-09 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.298 Å) | Cite: | VLR Recognition of TLR5 Expands the Molecular Characterization of Protein Antigen Binding by Non-Ig-based Antibodies. J. Mol. Biol., 430, 2018
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8OV3
| SARS-CoV-2 nsp10-16 methyltransferase in complex with 5-Iodotubercidin | Descriptor: | (2R,3R,4S,5R)-2-(4-AMINO-5-IODO-7H-PYRROLO[2,3-D]PYRIMIDIN-7-YL)-5-(HYDROXYMETHYL)TETRAHYDROFURAN-3,4-DIOL, 1,2-ETHANEDIOL, 2'-O-methyltransferase nsp16, ... | Authors: | Kremling, V, Sprenger, J, Oberthuer, D. | Deposit date: | 2023-04-25 | Release date: | 2023-05-10 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Crystal structures of Tubercidin and Adenosine bound to the active site of the SARS-CoV-2 methyltransferase nsp10-16 To Be Published
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8OMF
| Crystal structure of hKHK-C in complex with compound-4 | Descriptor: | Ketohexokinase, SULFATE ION, compound | Authors: | Ebenhoch, R, Pautsch, A. | Deposit date: | 2023-03-31 | Release date: | 2023-09-27 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.14 Å) | Cite: | Crystal structures of human and mouse ketohexokinase provide a structural basis for species- and isoform-selective inhibitor design. Acta Crystallogr D Struct Biol, 79, 2023
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8OMG
| Crystal structure of mKHK (apo) | Descriptor: | Ketohexokinase | Authors: | Ebenhoch, E, Pautsch, P. | Deposit date: | 2023-03-31 | Release date: | 2023-09-27 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Crystal structures of human and mouse ketohexokinase provide a structural basis for species- and isoform-selective inhibitor design. Acta Crystallogr D Struct Biol, 79, 2023
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