3U3U
 
 | | Crystal structure of the tablysin-15-leukotriene E4 complex | | Descriptor: | (5S,7E,9E,11Z,14Z)-5-hydroxyicosa-7,9,11,14-tetraenoic acid, CITRIC ACID, PRASEODYMIUM ION, ... | | Authors: | Andersen, J.F. | | Deposit date: | 2011-10-06 | | Release date: | 2012-02-15 | | Last modified: | 2015-01-28 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structure of protein having inhibitory disintegrin and leukotriene scavenging functions contained in single domain.
J.Biol.Chem., 287, 2012
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3U3N
 | | Crystal structure of tablysin-15 | | Descriptor: | CITRIC ACID, PALMITIC ACID, PRASEODYMIUM ION, ... | | Authors: | Andersen, J.F. | | Deposit date: | 2011-10-06 | | Release date: | 2012-02-15 | | Last modified: | 2017-11-08 | | Method: | X-RAY DIFFRACTION (1.651 Å) | | Cite: | Structure of protein having inhibitory disintegrin and leukotriene scavenging functions contained in single domain.
J.Biol.Chem., 287, 2012
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3U3L
 | | Crystal structure of the selenomethionine derivative of tablysin-15 | | Descriptor: | CITRIC ACID, PALMITIC ACID, PRASEODYMIUM ION, ... | | Authors: | Andersen, J.F, Xu, X, Ribeiro, J.M. | | Deposit date: | 2011-10-06 | | Release date: | 2012-02-15 | | Last modified: | 2017-11-08 | | Method: | X-RAY DIFFRACTION (1.57 Å) | | Cite: | Structure of protein having inhibitory disintegrin and leukotriene scavenging functions contained in single domain.
J.Biol.Chem., 287, 2012
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2NDI
 | | Solution structure of the toxin ISTX-I from Ixodes scapularis | | Descriptor: | Putative secreted salivary protein | | Authors: | Hu, K. | | Deposit date: | 2016-06-01 | | Release date: | 2017-06-07 | | Last modified: | 2023-06-14 | | Method: | SOLUTION NMR | | Cite: | A sodium channel inhibitor ISTX-I with a novel structure provides a new hint at the evolutionary link between two toxin folds.
Sci Rep, 6, 2016
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2MUN
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4IFH
 | | Crystal structure of human insulin degrading enzyme (IDE) in complex with compound BDM44619 | | Descriptor: | Insulin-degrading enzyme, N-({1-[(2R)-4-(hydroxyamino)-1-(naphthalen-2-yl)-4-oxobutan-2-yl]-1H-1,2,3-triazol-4-yl}methyl)-4-methylbenzamide, ZINC ION | | Authors: | Liang, W.G, Guo, Q, Deprez, R, Deprez, B, Tang, W. | | Deposit date: | 2012-12-14 | | Release date: | 2013-12-18 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (3.286 Å) | | Cite: | Catalytic site inhibition of insulin-degrading enzyme by a small molecule induces glucose intolerance in mice.
Nat Commun, 6, 2015
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8A76
 | | Metallo-beta-lactamase NDM-1 in complex with 1,2,4-Triazole-3-thione compound 26 | | Descriptor: | (2~{S})-2-[bis(pyridin-2-ylmethyl)amino]-5-(3-phenyl-5-sulfanylidene-1~{H}-1,2,4-triazol-4-yl)pentanoic acid, 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | | Authors: | Vascon, F, Legru, A, Hernandez, J.F, Cendron, L. | | Deposit date: | 2022-06-20 | | Release date: | 2022-12-14 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Optimization of 1,2,4-Triazole-3-thiones toward Broad-Spectrum Metallo-beta-lactamase Inhibitors Showing Potent Synergistic Activity on VIM- and NDM-1-Producing Clinical Isolates.
J.Med.Chem., 65, 2022
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8A4M
 | | Crystal structure of the VIM-2 acquired metallo-beta-Lactamase in complex with compound 8 (JMV-7061) | | Descriptor: | (2~{S})-2-[bis(1~{H}-imidazol-4-ylmethyl)amino]-5-(3-phenyl-5-sulfanylidene-1~{H}-1,2,4-triazol-4-yl)pentanoic acid, ACETATE ION, Metallo-beta-lactamase VIM-2-like protein, ... | | Authors: | Tassone, G, Benvenuti, M, Verdirosa, F, Corsica, G, Sannio, F, Docquier, J.D, Pozzi, C, Mangani, S. | | Deposit date: | 2022-06-13 | | Release date: | 2023-04-26 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Optimization of 1,2,4-Triazole-3-thiones toward Broad-Spectrum Metallo-beta-lactamase Inhibitors Showing Potent Synergistic Activity on VIM- and NDM-1-Producing Clinical Isolates.
J.Med.Chem., 65, 2022
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7QNY
 | | The receptor binding domain of SARS-CoV-2 spike glycoprotein in complex with COVOX-58 and COVOX-158 Fabs | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, COVOX-158 heavy chain, COVOX-158 light chain, ... | | Authors: | Zhou, D, Ren, J, Stuart, D.I. | | Deposit date: | 2021-12-23 | | Release date: | 2022-01-19 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.84 Å) | | Cite: | SARS-CoV-2 Omicron-B.1.1.529 leads to widespread escape from neutralizing antibody responses.
Cell, 185, 2022
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7QNW
 | | The receptor binding domain of SARS-CoV-2 Omicron variant spike glycoprotein in complex with Beta-55 and EY6A Fabs | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, Beta-55 heavy chain, ... | | Authors: | Zhou, D, Ren, J, Stuart, D.I. | | Deposit date: | 2021-12-23 | | Release date: | 2022-01-19 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | SARS-CoV-2 Omicron-B.1.1.529 leads to widespread escape from neutralizing antibody responses.
Cell, 185, 2022
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7QNX
 | | The receptor binding domain of SARS-CoV-2 spike glycoprotein in complex with Beta-55 and EY6A Fabs | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-55 heavy chain, Beta-55 light chain, ... | | Authors: | Zhou, D, Ren, J, Stuart, D.I. | | Deposit date: | 2021-12-23 | | Release date: | 2022-01-19 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.92 Å) | | Cite: | SARS-CoV-2 Omicron-B.1.1.529 leads to widespread escape from neutralizing antibody responses.
Cell, 185, 2022
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7NX6
 | | Crystal structure of the receptor binding domain of SARS-CoV-2 Spike glycoprotein in complex with COVOX-222 and EY6A Fabs | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, COVOX-222 Fab Heavy chain, ... | | Authors: | Zhou, D, Ren, J, Stuart, D. | | Deposit date: | 2021-03-17 | | Release date: | 2021-04-07 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Antibody evasion by the P.1 strain of SARS-CoV-2.
Cell, 184, 2021
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7NXA
 | | Crystal structure of the receptor binding domain of SARS-CoV-2 B.1.351 variant Spike glycoprotein in complex with COVOX-222 and EY6A Fabs | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, COVOX-222 Fab heavy chain, COVOX-222 Fab light chain, ... | | Authors: | Zhou, D, Ren, J, Stuart, D. | | Deposit date: | 2021-03-17 | | Release date: | 2021-04-07 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Antibody evasion by the P.1 strain of SARS-CoV-2.
Cell, 184, 2021
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7NX7
 | | Crystal structure of the K417N mutant receptor binding domain of SARS-CoV-2 Spike glycoprotein in complex with COVOX-222 and EY6A Fabs | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, CITRIC ACID, ... | | Authors: | Zhou, D, Ren, J, Stuart, D. | | Deposit date: | 2021-03-17 | | Release date: | 2021-04-07 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Antibody evasion by the P.1 strain of SARS-CoV-2.
Cell, 184, 2021
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7NXB
 | | Crystal structure of the receptor binding domain of SARS-CoV-2 P.1 variant Spike glycoprotein in complex with COVOX-222 and EY6A Fabs | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, COVOX-222 Fab heavy chain, COVOX-222 Fab light chain, ... | | Authors: | Zhou, D, Ren, J, Stuart, D. | | Deposit date: | 2021-03-17 | | Release date: | 2021-04-07 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.67 Å) | | Cite: | Antibody evasion by the P.1 strain of SARS-CoV-2.
Cell, 184, 2021
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7NX8
 | | Crystal structure of the K417T mutant receptor binding domain of SARS-CoV-2 Spike glycoprotein in complex with COVOX-222 and EY6A Fabs | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, CITRIC ACID, ... | | Authors: | Zhou, D, Ren, J, Stuart, D. | | Deposit date: | 2021-03-17 | | Release date: | 2021-04-07 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Antibody evasion by the P.1 strain of SARS-CoV-2.
Cell, 184, 2021
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7NXC
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7NX9
 | | Crystal structure of the N501Y mutant receptor binding domain of SARS-CoV-2 Spike glycoprotein in complex with COVOX-222 and EY6A Fabs | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, COVOX-222 Fab heavy chain, ... | | Authors: | Zhou, D, Ren, J, Stuart, D. | | Deposit date: | 2021-03-17 | | Release date: | 2021-04-07 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Antibody evasion by the P.1 strain of SARS-CoV-2.
Cell, 184, 2021
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5K1V
 | | Crystal structure of Endoplasmic Reticulum aminopeptidase 2 (ERAP2) in complex with a diaminobenzoic acid derivative ligand. | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Endoplasmic reticulum aminopeptidase 2, ... | | Authors: | Saridakis, E, Papakyriakou, A, Giastas, P, Mpakali, A, Mavridis, I.M, Stratikos, E. | | Deposit date: | 2016-05-18 | | Release date: | 2017-03-29 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.897 Å) | | Cite: | Crystal Structures of ERAP2 Complexed with Inhibitors Reveal Pharmacophore Requirements for Optimizing Inhibitor Potency.
ACS Med Chem Lett, 8, 2017
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7SH0
 | | CRYSTAL STRUCTURE OF ENDOPLASMIC RETICULUM AMINOPEPTIDASE 2 (ERAP2) COMPLEX WITH A HIGHLY SELECTIVE AND POTENT SMALL MOLECULE | | Descriptor: | (2S)-N-hydroxy-3-(4-methoxyphenyl)-2-[4-({[5-(pyridin-2-yl)thiophene-2-sulfonyl]amino}methyl)-1H-1,2,3-triazol-1-yl]propanamide, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | | Authors: | Li, L, Bouvier, M. | | Deposit date: | 2021-10-07 | | Release date: | 2022-07-20 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Discovery of the First Selective Nanomolar Inhibitors of ERAP2 by Kinetic Target-Guided Synthesis.
Angew.Chem.Int.Ed.Engl., 61, 2022
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7PWL
 | | PARP15 catalytic domain in complex with OUL218 | | Descriptor: | 4-(1,3-thiazol-5-ylmethoxy)benzamide, DIMETHYL SULFOXIDE, Protein mono-ADP-ribosyltransferase PARP15 | | Authors: | Maksimainen, M.M, Murthy, S, Lehtio, L. | | Deposit date: | 2021-10-07 | | Release date: | 2022-05-11 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Potent 2,3-dihydrophthalazine-1,4-dione derivatives as dual inhibitors for mono-ADP-ribosyltransferases PARP10 and PARP15.
Eur.J.Med.Chem., 237, 2022
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7PWS
 | | PARP15 catalytic domain in complex with OUL255 | | Descriptor: | 6-(cyclobutylmethoxy)phthalazine-1,4-dione, Protein mono-ADP-ribosyltransferase PARP15 | | Authors: | Maksimainen, M.M, Lehtio, L. | | Deposit date: | 2021-10-07 | | Release date: | 2022-05-11 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Potent 2,3-dihydrophthalazine-1,4-dione derivatives as dual inhibitors for mono-ADP-ribosyltransferases PARP10 and PARP15.
Eur.J.Med.Chem., 237, 2022
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7PX6
 | | PARP15 catalytic domain in complex with OUL241 | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 6-[(2-fluorophenyl)methoxy]phthalazine-1,4-dione, Protein mono-ADP-ribosyltransferase PARP15 | | Authors: | Maksimainen, M.M, Lehtio, L. | | Deposit date: | 2021-10-08 | | Release date: | 2022-05-11 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Potent 2,3-dihydrophthalazine-1,4-dione derivatives as dual inhibitors for mono-ADP-ribosyltransferases PARP10 and PARP15.
Eur.J.Med.Chem., 237, 2022
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7PWC
 | | PARP15 catalytic domain in complex with OUL238 | | Descriptor: | 4-(cyclobutylmethoxy)benzamide, Protein mono-ADP-ribosyltransferase PARP15 | | Authors: | Maksimainen, M.M, Lehtio, L. | | Deposit date: | 2021-10-06 | | Release date: | 2022-05-11 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Potent 2,3-dihydrophthalazine-1,4-dione derivatives as dual inhibitors for mono-ADP-ribosyltransferases PARP10 and PARP15.
Eur.J.Med.Chem., 237, 2022
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7PWR
 | | PARP15 catalytic domain in complex with OUL254 | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 6-(cyclopentylmethoxy)phthalazine-1,4-dione, Protein mono-ADP-ribosyltransferase PARP15 | | Authors: | Maksimainen, M.M, Lehtio, L. | | Deposit date: | 2021-10-07 | | Release date: | 2022-05-11 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Potent 2,3-dihydrophthalazine-1,4-dione derivatives as dual inhibitors for mono-ADP-ribosyltransferases PARP10 and PARP15.
Eur.J.Med.Chem., 237, 2022
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