5Q10
 
 | | Ligand binding to FARNESOID-X-RECEPTOR | | Descriptor: | Bile acid receptor, COACTIVATOR PEPTIDE SRC-1 HD3, N-[3-(acetylamino)phenyl]-4-chloro-N-[(1S)-1-cyclohexyl-2-(cyclohexylamino)-2-oxoethyl]benzamide | | Authors: | Rudolph, M.G, Benz, J, Burger, D, Thoma, R, Ruf, A, Joseph, C, Kuhn, B, Shao, C, Yang, H, Burley, S.K. | | Deposit date: | 2017-05-31 | | Release date: | 2017-07-05 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | D3R Grand Challenge 2: blind prediction of protein-ligand poses, affinity rankings, and relative binding free energies.
J. Comput. Aided Mol. Des., 32, 2018
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5Q1D
 | | Ligand binding to FARNESOID-X-RECEPTOR | | Descriptor: | (2S)-2-[2-(4-chlorophenyl)-5,6-difluoro-1H-benzimidazol-1-yl]-2-cyclohexyl-N-phenylacetamide, Bile acid receptor, COACTIVATOR PEPTIDE SRC-1 HD3 | | Authors: | Rudolph, M.G, Benz, J, Burger, D, Thoma, R, Ruf, A, Joseph, C, Kuhn, B, Shao, C, Yang, H, Burley, S.K. | | Deposit date: | 2017-05-31 | | Release date: | 2017-07-05 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | D3R Grand Challenge 2: blind prediction of protein-ligand poses, affinity rankings, and relative binding free energies.
J. Comput. Aided Mol. Des., 32, 2018
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8H3W
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3GLP
 | | 1.23 A resolution X-ray structure of (GCUGCUGC)2 | | Descriptor: | 5'-R(*GP*CP*UP*GP*CP*UP*GP*C)-3', GLYCEROL, SULFATE ION | | Authors: | Kiliszek, A, Kierzek, R, Krzyzosiak, W.J, Rypniewski, W. | | Deposit date: | 2009-03-12 | | Release date: | 2009-05-26 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.23 Å) | | Cite: | Structural insights into CUG repeats containing the 'stretched U-U wobble': implications for myotonic dystrophy.
Nucleic Acids Res., 37, 2009
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4MU6
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7OIH
 | | Glycosylation in the crystal structure of neutrophil myeloperoxidase | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-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, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Krawczyk, L, Semwal, S, Bouckaert, J. | | Deposit date: | 2021-05-11 | | Release date: | 2022-08-24 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.603 Å) | | Cite: | Native glycosylation and binding of the antidepressant paroxetine in a low-resolution crystal structure of human myeloperoxidase.
Acta Crystallogr D Struct Biol, 78, 2022
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6KFC
 | | Hydroxynitrile lyase from the millipede, Chamberlinius hualienensis, complexed with cyanide ion | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CYANIDE ION, Hydroxynitrile lyase, ... | | Authors: | Motojima, F, Izumi, A, Asano, Y. | | Deposit date: | 2019-07-07 | | Release date: | 2020-07-08 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | R-hydroxynitrile lyase from the cyanogenic millipede, Chamberlinius hualienensis-A new entry to the carrier protein family Lipocalines.
Febs J., 288, 2021
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7P4W
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5L9D
 | | AFAMIN ANTIBODY FRAGMENT, N14 FAB, L1- GLYCOSYLATED, CRYSTAL FORM I, parsimonious model | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Rupp, B, Naschberger, A. | | Deposit date: | 2016-06-10 | | Release date: | 2016-08-03 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | The N14 anti-afamin antibody Fab: a rare VL1 CDR glycosylation, crystallographic re-sequencing, molecular plasticity and conservative versus enthusiastic modelling.
Acta Crystallogr D Struct Biol, 72, 2016
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5L7X
 | | Afamin antibody fragment, N14 Fab, L1- glycosylated, crystal form II | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, DI(HYDROXYETHYL)ETHER, Mouse Antibody Fab Fragment, ... | | Authors: | Rupp, B, Naschberger, A. | | Deposit date: | 2016-06-04 | | Release date: | 2016-07-13 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | The N14 anti-afamin antibody Fab: a rare VL1 CDR glycosylation, crystallographic re-sequencing, molecular plasticity and conservative versus enthusiastic modelling.
Acta Crystallogr D Struct Biol, 72, 2016
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6I1A
 | | Crystal structure of rutinosidase from Aspergillus niger | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, rutinosidase | | Authors: | Pachl, P, Rezacova, P, Kapesova, J. | | Deposit date: | 2018-10-28 | | Release date: | 2020-01-29 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.27 Å) | | Cite: | Rutinosidase from Aspergillus niger: crystal structure and insight into the enzymatic activity.
Febs J., 287, 2020
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6KFB
 | | Hydroxynitrile lyase from the millipede, Chamberlinius hualienensis bound with thiocyanate | | Descriptor: | Hydroxynitrile lyase, THIOCYANATE ION, alpha-L-fucopyranose-(1-6)-2-acetamido-2-deoxy-beta-D-glucopyranose | | Authors: | Motojima, F, Izumi, A, Asano, Y. | | Deposit date: | 2019-07-07 | | Release date: | 2020-07-08 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | R-hydroxynitrile lyase from the cyanogenic millipede, Chamberlinius hualienensis-A new entry to the carrier protein family Lipocalines.
Febs J., 288, 2021
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6MBC
 | | Human Bfl-1 in complex with the designed peptide dF4 | | Descriptor: | Bcl-2-related protein A1, dF4 | | Authors: | Jenson, J.M, Keating, A.E. | | Deposit date: | 2018-08-29 | | Release date: | 2019-03-06 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.752 Å) | | Cite: | Tertiary Structural Motif Sequence Statistics Enable Facile Prediction and Design of Peptides that Bind Anti-apoptotic Bfl-1 and Mcl-1.
Structure, 27, 2019
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6MBD
 | | Human Mcl-1 in complex with the designed peptide dM1 | | Descriptor: | Induced myeloid leukemia cell differentiation protein Mcl-1, ZINC ION, dM1 | | Authors: | Jenson, J.M, Keating, A.E. | | Deposit date: | 2018-08-29 | | Release date: | 2019-03-06 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Tertiary Structural Motif Sequence Statistics Enable Facile Prediction and Design of Peptides that Bind Anti-apoptotic Bfl-1 and Mcl-1.
Structure, 27, 2019
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6XPW
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6XPV
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4MLO
 | | 1.65A resolution structure of ToxT from Vibrio cholerae (P21 Form) | | Descriptor: | CHLORIDE ION, PALMITOLEIC ACID, TCP pilus virulence regulatory protein | | Authors: | Lovell, S, Wehmeyer, G, Battaile, K.P, Li, J, Egan, S. | | Deposit date: | 2013-09-06 | | Release date: | 2016-04-20 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | 1.65 angstrom resolution structure of the AraC-family transcriptional activator ToxT from Vibrio cholerae.
Acta Crystallogr F Struct Biol Commun, 72, 2016
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5LGH
 | | Afamin antibody fragment, N14 Fab, L1- glycosilated, crystal form II, same as 5L7X, but isomorphous setting indexed same as 5L88, 5L9D | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, DI(HYDROXYETHYL)ETHER, MOUSE ANTIBODY FAB FRAGMENT, ... | | Authors: | Rupp, B, Naschberger, A. | | Deposit date: | 2016-07-07 | | Release date: | 2016-08-03 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | The N14 anti-afamin antibody Fab: a rare VL1 CDR glycosylation, crystallographic re-sequencing, molecular plasticity and conservative versus enthusiastic modelling.
Acta Crystallogr D Struct Biol, 72, 2016
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6YD9
 | | Ecoli GyrB24 with inhibitor 16a | | Descriptor: | 1,2-ETHANEDIOL, DNA gyrase subunit B, N-[6-(3-azanylpropanoylamino)-1,3-benzothiazol-2-yl]-3,4-bis(chloranyl)-5-methyl-1H-pyrrole-2-carboxamide | | Authors: | Barancokova, M, Skok, Z, Benek, O, Cruz, C.D, Tammela, P, Tomasic, T, Zidar, N, Masic, L.P, Zega, A, Stevenson, C.E.M, Mundy, J, Lawson, D.M, Maxwell, A.M, Kikelj, D, Ilas, J. | | Deposit date: | 2020-03-20 | | Release date: | 2020-12-30 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Exploring the Chemical Space of Benzothiazole-Based DNA Gyrase B Inhibitors.
Acs Med.Chem.Lett., 11, 2020
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7P4Z
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8I5R
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7P9C
 | | Escherichia coli type II L-asparaginase | | Descriptor: | L-asparaginase 2 | | Authors: | Maggi, M, Scotti, C. | | Deposit date: | 2021-07-27 | | Release date: | 2021-10-20 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Revealing Escherichia coli type II L-asparaginase active site flexible loop in its open, ligand-free conformation.
Sci Rep, 11, 2021
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6Y9R
 | | Crystal structure of GSK-3b in complex with the 1H-indazole-3-carboxamide inhibitor 2 | | Descriptor: | ACETATE ION, GLYCEROL, Glycogen synthase kinase-3 beta, ... | | Authors: | Krapp, S, Griessner, A, Blaesse, M, Buonfiglio, R, Ombrato, R. | | Deposit date: | 2020-03-10 | | Release date: | 2020-05-20 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.08 Å) | | Cite: | Discovery of Novel Imidazopyridine GSK-3 beta Inhibitors Supported by Computational Approaches.
Molecules, 25, 2020
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6NMR
 | | Blocking Fab 119 anti-SIRP-alpha antibody in complex with SIRP-alpha Variant 1 | | Descriptor: | Fab 119 anti-SIRP-alpha antibody Variable Heavy Chain, Fab 119 anti-SIRP-alpha antibody Variable Light Chain, Tyrosine-protein phosphatase non-receptor type substrate 1 | | Authors: | Wibowo, A.S, Carter, J.J, Sim, J. | | Deposit date: | 2019-01-11 | | Release date: | 2019-08-07 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.42 Å) | | Cite: | Discovery of high affinity, pan-allelic, and pan-mammalian reactive antibodies against the myeloid checkpoint receptor SIRP alpha.
Mabs, 11, 2019
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6Y86
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