2JW2
 
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2KR7
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2L3D
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2LXW
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2KSN
 | | Solution Structure of the N-terminal Domain of DC-UbP/UBTD2 | | Descriptor: | Ubiquitin domain-containing protein 2 | | Authors: | Song, A, Zhou, C, Guan, X, Sze, K, Hu, H. | | Deposit date: | 2010-01-08 | | Release date: | 2010-05-19 | | Last modified: | 2022-03-16 | | Method: | SOLUTION NMR | | Cite: | Solution structure of the N-terminal domain of DC-UbP/UBTD2 and its interaction with ubiquitin
Protein Sci., 19, 2010
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4IDN
 | | Human atlastin-1 1-446, C-his6, GppNHp | | Descriptor: | Atlastin-1, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER | | Authors: | Byrnes, L.J, Singh, A, Szeto, K, Benvin, N.M, O'Donnell, J.P, Zipfel, W.R, Sondermann, H. | | Deposit date: | 2012-12-12 | | Release date: | 2013-01-09 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.252 Å) | | Cite: | Structural basis for conformational switching and GTP loading of the large G protein atlastin.
Embo J., 32, 2013
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4IDO
 | | human atlastin-1 1-446, C-his6, GDPAlF4- | | Descriptor: | Atlastin-1, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Byrnes, L.J, Singh, A, Szeto, K, Benvin, N.M, O'Donnell, J.P, Zipfel, W.R, Sondermann, H. | | Deposit date: | 2012-12-12 | | Release date: | 2013-01-09 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.091 Å) | | Cite: | Structural basis for conformational switching and GTP loading of the large G protein atlastin.
Embo J., 32, 2013
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4IDP
 | | human atlastin-1 1-446, N440T, GppNHp | | Descriptor: | Atlastin-1, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER | | Authors: | Byrnes, L.J, Singh, A, Szeto, K, Benvin, N.M, O'Donnell, J.P, Zipfel, W.R, Sondermann, H. | | Deposit date: | 2012-12-12 | | Release date: | 2013-01-09 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (2.587 Å) | | Cite: | Structural basis for conformational switching and GTP loading of the large G protein atlastin.
Embo J., 32, 2013
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4IDQ
 | | human atlastin-1 1-446, N440T, GDPAlF4- | | Descriptor: | Atlastin-1, GUANOSINE-5'-DIPHOSPHATE, HEXAETHYLENE GLYCOL, ... | | Authors: | Byrnes, L.J, Singh, A, Szeto, K, Benvin, N.M, O'Donnell, J.P, Zipfel, W.R, Sondermann, H. | | Deposit date: | 2012-12-12 | | Release date: | 2013-01-09 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.295 Å) | | Cite: | Structural basis for conformational switching and GTP loading of the large G protein atlastin.
Embo J., 32, 2013
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3GB1
 | | STRUCTURES OF B1 DOMAIN OF STREPTOCOCCAL PROTEIN G | | Descriptor: | PROTEIN (B1 DOMAIN OF STREPTOCOCCAL PROTEIN G) | | Authors: | Clore, G.M. | | Deposit date: | 1999-05-02 | | Release date: | 1999-06-23 | | Last modified: | 2023-12-27 | | Method: | SOLUTION NMR | | Cite: | Improving the Packing and Accuracy of NMR Structures with a Pseudopotential for the Radius of Gyration
J.Am.Chem.Soc., 121, 1999
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2W4D
 | | Acylphosphatase variant G91A from Pyrococcus horikoshii | | Descriptor: | ACYLPHOSPHATASE, PHOSPHATE ION, POTASSIUM ION | | Authors: | Lam, S.Y, Wong, K.B. | | Deposit date: | 2008-11-25 | | Release date: | 2009-12-22 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | A Rigidifying Salt-Bridge Favors the Activity of Thermophilic Enzyme at High Temperatures at the Expense of Low-Temperature Activity.
Plos Biol., 9, 2011
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2VH7
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2W4C
 | | Human common-type acylphosphatase variant, A99 | | Descriptor: | ACYLPHOSPHATASE-1 | | Authors: | Lam, S.Y, Wong, K.B. | | Deposit date: | 2008-11-25 | | Release date: | 2009-12-22 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.52 Å) | | Cite: | A Rigidifying Salt-Bridge Favors the Activity of Thermophilic Enzyme at High Temperatures at the Expense of Low-Temperature Activity.
Plos Biol., 9, 2011
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2LEN
 | | Solution structure of UCHL1 S18Y variant | | Descriptor: | Ubiquitin carboxyl-terminal hydrolase isozyme L1 | | Authors: | Tse, H. | | Deposit date: | 2011-06-19 | | Release date: | 2012-06-20 | | Last modified: | 2023-06-14 | | Method: | SOLUTION NMR | | Cite: | Backbone and side-chain (1)H, (15)N and (13)C resonance assignments of S18Y mutant of ubiquitin carboxy-terminal hydrolase L1
to be published
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8AUP
 | | Structure of hARG1 with a novel inhibitor. | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-[(1~{R},3~{R},4~{S})-3-azanyl-3-carboxy-4-[(dimethylamino)methyl]cyclohexyl]ethyl-$l^{3}-oxidanyl-bis(oxidanyl)boron, Arginase-1, ... | | Authors: | Napiorkowska-Gromadzka, A, Nowak, E, Nowotny, M. | | Deposit date: | 2022-08-25 | | Release date: | 2023-03-29 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.17 Å) | | Cite: | Arginase 1/2 Inhibitor OATD-02: From Discovery to First-in-man Setup in Cancer Immunotherapy.
Mol.Cancer Ther., 22, 2023
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8R41
 | | Structure of CHI3L1 in complex with inhibitor 1 | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BROMIDE ION, ... | | Authors: | Nowak, E, Napiorkowska-Gromadzka, A, Nowotny, M. | | Deposit date: | 2023-11-10 | | Release date: | 2024-03-13 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Structure-Based Discovery of High-Affinity Small Molecule Ligands and Development of Tool Probes to Study the Role of Chitinase-3-Like Protein 1.
J.Med.Chem., 67, 2024
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8R4X
 | | Structure of Chitinase-3-like protein 1 in complex with inhibitor 30 | | Descriptor: | (2~{S},5~{S})-4-[1-(4-chloranylpyridin-2-yl)piperidin-4-yl]-5-[(4-chlorophenyl)methyl]-2-methyl-morpholine, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Nowak, E, Napiorkowska-Gromadzka, A, Nowotny, M. | | Deposit date: | 2023-11-14 | | Release date: | 2024-03-13 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.54 Å) | | Cite: | Structure-Based Discovery of High-Affinity Small Molecule Ligands and Development of Tool Probes to Study the Role of Chitinase-3-Like Protein 1.
J.Med.Chem., 67, 2024
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8R42
 | | Structure of CHI3L1 in complex with inhibititor 2 | | Descriptor: | 1,2-ETHANEDIOL, 2-[4-[(2~{R})-2-[(4-chlorophenyl)methyl]pyrrolidin-1-yl]piperidin-1-yl]pyridine, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Nowak, E, Napiorkowska-Gromadzka, A, Nowotny, M. | | Deposit date: | 2023-11-10 | | Release date: | 2024-03-13 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.32 Å) | | Cite: | Structure-Based Discovery of High-Affinity Small Molecule Ligands and Development of Tool Probes to Study the Role of Chitinase-3-Like Protein 1.
J.Med.Chem., 67, 2024
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6ZE8
 | | Crystal structure of human chitotriosidase-1 (hCHIT) catalytic domain in complex with compound OATD-01 | | Descriptor: | 5-(4-((2S,5S)-5-(4-chlorobenzyl)-2-methylmorpholino)piperidin-1-yl)-4H-1,2,4-triazol-3-amine, Chitotriosidase-1, GLYCEROL, ... | | Authors: | Nowotny, M, Bartlomiejczak, A, Napiorkowska-Gromadzka, A. | | Deposit date: | 2020-06-16 | | Release date: | 2020-11-11 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Discovery of OATD-01 , a First-in-Class Chitinase Inhibitor as Potential New Therapeutics for Idiopathic Pulmonary Fibrosis.
J.Med.Chem., 63, 2020
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6G82
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6GMU
 | | Serum paraoxonase-1 by directed evolution with the L69G/H134R/F222S/T332S mutations | | Descriptor: | 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Ben-David, M, Sussman, J.L, Tawfik, D.S. | | Deposit date: | 2018-05-28 | | Release date: | 2019-04-17 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Enzyme Evolution: An Epistatic Ratchet versus a Smooth Reversible Transition.
Mol.Biol.Evol., 37, 2020
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6H0A
 | | Serum paraoxonase-1 by directed evolution with the L69G/H115W/H134R/F222S/T332S mutations | | Descriptor: | 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BROMIDE ION, CALCIUM ION, ... | | Authors: | Ben-David, M, Sussman, J.L, Tawfik, D.S. | | Deposit date: | 2018-07-07 | | Release date: | 2019-07-17 | | Last modified: | 2020-04-08 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Enzyme Evolution: An Epistatic Ratchet versus a Smooth Reversible Transition.
Mol.Biol.Evol., 37, 2020
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4Q1U
 | | Serum paraoxonase-1 by directed evolution with the K192Q mutation | | Descriptor: | BROMIDE ION, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Ben-David, M, Sussman, J.L, Tawfik, D.S. | | Deposit date: | 2014-04-04 | | Release date: | 2015-02-18 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.302 Å) | | Cite: | Catalytic stimulation by restrained active-site floppiness-the case of high density lipoprotein-bound serum paraoxonase-1.
J.Mol.Biol., 427, 2015
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2XS3
 | | Structure of karilysin catalytic MMP domain | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, KARILYSIN PROTEASE, PEPTIDE ALA-PHE-THR-SER, ... | | Authors: | Cerda-Costa, N, Guevara, T, Karim, A.Y, Ksiazek, M, Nguyen, K.-A, Arolas, J.L, Potempa, J, Gomis-Ruth, F.X. | | Deposit date: | 2010-09-24 | | Release date: | 2010-11-03 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | The Structure of the Catalytic Domain of Tannerella Forsythia Karilysin Reveals It is a Bacterial Xenologue of Animal Matrix Metalloproteinases.
Mol.Microbiol., 79, 2011
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2XS4
 | | Structure of karilysin catalytic MMP domain in complex with magnesium | | Descriptor: | CHLORIDE ION, KARILYSIN PROTEASE, MAGNESIUM ION, ... | | Authors: | Cerda-Costa, N, Guevara, T, Karim, A.Y, Ksiazek, M, Nguyen, K.-A, Arolas, J.L, Potempa, J, Gomis-Ruth, F.X. | | Deposit date: | 2010-09-24 | | Release date: | 2010-11-03 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | The Structure of the Catalytic Domain of Tannerella Forsythia Karilysin Reveals It is a Bacterial Xenologue of Animal Matrix Metalloproteinases.
Mol.Microbiol., 79, 2011
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