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5NRF
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BU of 5nrf by Molmil
Crystal structure of human chitotriosidase-1 (hCHIT) catalytic domain in complex with compound 7i
Descriptor: 1-(3-azanyl-1~{H}-1,2,4-triazol-5-yl)-~{N}-[2-(4-chlorophenyl)ethyl]-~{N}-(phenylmethyl)piperidin-4-amine, Chitotriosidase-1, GLYCEROL
Authors:Mazur, M, Olczak, J, Olejniczak, S, Koralewski, R, Czestkowski, W, Jedrzejczak, A, Golab, J, Dzwonek, K, Dymek, B, Sklepkiewicz, P, Zagozdzon, A, Noonan, T, Mahboubi, K, Conway, B, Sheeler, R, Beckett, P, Hungerford, W.M, Podjarny, A, Mitschler, A, Cousido-Siah, A, Fadel, F, Golebiowski, A.
Deposit date:2017-04-22
Release date:2018-03-28
Method:X-RAY DIFFRACTION (1.447 Å)
Cite:Targeting Acidic Mammalian chitinase Is Effective in Animal Model of Asthma.
J. Med. Chem., 61, 2018
8C6Z
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BU of 8c6z by Molmil
necrotic enteritis associated Clostridium p. chitinase F8UNI4 in complex with inhibitor bisdionin C
Descriptor: 1,1'-PROPANE-1,3-DIYLBIS(3,7-DIMETHYL-3,7-DIHYDRO-1H-PURINE-2,6-DIONE), CADMIUM ION, COBALT (II) ION, ...
Authors:Bloch, Y, Savvides, S.N.
Deposit date:2023-01-12
Release date:2023-05-31
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Contribution and structural characterization of Chitinases to Clostridium perfringens Pathogenesis in Broilers
To Be Published
6EPB
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BU of 6epb by Molmil
Structure of Chitinase 42 from Trichoderma harzianum
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, Endochitinase 42, ...
Authors:Ramirez-Escudero, M, Jimenez-Ortega, E, Sanz-Aparicio, J.
Deposit date:2017-10-11
Release date:2018-09-26
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Use of chitin and chitosan to produce new chitooligosaccharides by chitinase Chit42: enzymatic activity and structural basis of protein specificity.
Microb. Cell Fact., 17, 2018
6F8N
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BU of 6f8n by Molmil
Key residues affecting transglycosylation activity in family 18 chitinases - Insights into donor and acceptor subsites
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ...
Authors:Madhuprakash, J, Dalhus, B, Swaroopa Rani, T, Podile, A.R, Eijsink, V.G.H, Sorlie, M.
Deposit date:2017-12-13
Release date:2018-07-04
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Key Residues Affecting Transglycosylation Activity in Family 18 Chitinases: Insights into Donor and Acceptor Subsites.
Biochemistry, 57, 2018
7XMH
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BU of 7xmh by Molmil
Crystal structure of a rice class IIIb chitinase, Oschib2
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, Putative class III chitinase
Authors:Jun, T, Tomoya, T, Tomoyuki, N, Takayuki, O.
Deposit date:2022-04-25
Release date:2023-05-03
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.18 Å)
Cite:Characterization of two rice GH18 chitinases belonging to family 8 of plant pathogenesis-related proteins.
Plant Sci., 326, 2023
6ZE8
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BU of 6ze8 by Molmil
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
5KZ6
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BU of 5kz6 by Molmil
1.25 Angstrom Crystal Structure of Chitinase from Bacillus anthracis.
Descriptor: CHLORIDE ION, Chitinase, SODIUM ION, ...
Authors:Minasov, G, Shuvalova, L, Kiryukhina, O, Dubrovska, I, Grimshaw, S, Kwon, K, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2016-07-22
Release date:2016-08-03
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.252 Å)
Cite:1.25 Angstrom Crystal Structure of Chitinase from Bacillus anthracis.
To Be Published
6T9M
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BU of 6t9m by Molmil
Crystal structure of the Chitinase Domain of the Spore Coat Protein CotE from Clostridium difficile
Descriptor: DI(HYDROXYETHYL)ETHER, PENTAETHYLENE GLYCOL, Peptide in active site, ...
Authors:Whittingham, J.L, Dodson, E.J, Wilkinson, A.J.
Deposit date:2019-10-28
Release date:2020-07-22
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Crystal structures of the GH18 domain of the bifunctional peroxiredoxin-chitinase CotE from Clostridium difficile.
Acta Crystallogr.,Sect.F, 76, 2020
6TSB
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BU of 6tsb by Molmil
Crystal structure of the Chitinase Domain of the Spore Coat Protein CotE from Clostridium difficile
Descriptor: DI(HYDROXYETHYL)ETHER, Peroxiredoxin
Authors:Whittingham, J.L, Dodson, E.J, Wilkinson, A.J.
Deposit date:2019-12-20
Release date:2020-06-24
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structures of the GH18 domain of the bifunctional peroxiredoxin-chitinase CotE from Clostridium difficile.
Acta Crystallogr.,Sect.F, 76, 2020
6XYZ
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BU of 6xyz by Molmil
Crystal structure of the GH18 chitinase ChiB from the chitin utilization locus of Flavobacterium johnsoniae
Descriptor: 1,2-ETHANEDIOL, Candidate chitinase Glycoside hydrolase family 18, FORMIC ACID
Authors:Mazurkewich, S, Helland, R, MacKenzie, A, Eijsink, V, Pope, P, Branden, G, Larsbrink, J.
Deposit date:2020-01-31
Release date:2020-09-02
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Structural insights of the enzymes from the chitin utilization locus of Flavobacterium johnsoniae.
Sci Rep, 10, 2020
7AKQ
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BU of 7akq by Molmil
Structure of D169A/E171A double mutant of chitinase Chit42 from Trichoderma harzianum complexed with chitintetraose obtained by soaking.
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, ...
Authors:Jimenez-Ortega, E, Sanz-Aparicio, J.
Deposit date:2020-10-01
Release date:2021-10-20
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.32 Å)
Cite:Structural inspection and protein motions modelling of a fungal glycoside hydrolase family 18 chitinase by crystallography depicts a dynamic enzymatic mechanism
Comput Struct Biotechnol J, 19, 2021
6VE1
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BU of 6ve1 by Molmil
Crystal structure of endo-beta-N-acetylglucosaminidase H at high pH
Descriptor: Endo-beta-N-acetylglucosaminidase H, MAGNESIUM ION
Authors:Stachowski, T.R, Snell, M.E, Snell, E.S.
Deposit date:2019-12-28
Release date:2020-11-25
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:SAXS studies of X-ray induced disulfide bond damage: Engineering high-resolution insight from a low-resolution technique.
Plos One, 15, 2020
6YLJ
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BU of 6ylj by Molmil
Structure of D169A/E171A double mutant of chitinase Chit42 from Trichoderma harzianum complexed with chitinhexaose.
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, Endochitinase 42, ...
Authors:Jimenez-Ortega, E, Sanz-Aparicio, J.
Deposit date:2020-04-07
Release date:2021-10-20
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structural inspection and protein motions modelling of a fungal glycoside hydrolase family 18 chitinase by crystallography depicts a dynamic enzymatic mechanism
Comput Struct Biotechnol J, 19, 2021
6YN4
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BU of 6yn4 by Molmil
Structure of D169A/E171A double mutant of chitinase Chit42 from Trichoderma harzianum complexed with chitintetraose.
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, ...
Authors:Jimenez-Ortega, E, Sanz-Aparicio, J.
Deposit date:2020-04-10
Release date:2021-10-20
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Structural inspection and protein motions modelling of a fungal glycoside hydrolase family 18 chitinase by crystallography depicts a dynamic enzymatic mechanism
Comput Struct Biotechnol J, 19, 2021
7C34
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BU of 7c34 by Molmil
Crystal structure of Serratia marcescens Chitinase B complexed with Berberine
Descriptor: BERBERINE, Chitinase
Authors:Chen, L, Chen, J, Yang, Q.
Deposit date:2020-05-11
Release date:2020-05-27
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.938 Å)
Cite:Crystal structure-guided design of berberine-based novel chitinase inhibitors.
J Enzyme Inhib Med Chem, 35, 2020
5NR8
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BU of 5nr8 by Molmil
Crystal structure of human chitotriosidase-1 (hCHIT) catalytic domain in complex with compound 7a
Descriptor: 1-(3-azanyl-1~{H}-1,2,4-triazol-5-yl)-~{N}-[2-(4-bromophenyl)ethyl]-~{N}-methyl-piperidin-4-amine, Chitotriosidase-1, GLYCEROL
Authors:Podjarny, A, Fadel, F, Golebiowski, A.
Deposit date:2017-04-22
Release date:2018-02-21
Last modified:2019-10-16
Method:X-RAY DIFFRACTION (1.349 Å)
Cite:Targeting Acidic Mammalian chitinase Is Effective in Animal Model of Asthma.
J. Med. Chem., 61, 2018
5NRA
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BU of 5nra by Molmil
Crystal structure of human chitotriosidase-1 (hCHIT) catalytic domain in complex with compound 7g
Descriptor: 1-(5-azanyl-4~{H}-1,2,4-triazol-3-yl)-~{N}-[2-(4-bromophenyl)ethyl]-~{N}-(2-methylpropyl)piperidin-4-amine, Chitotriosidase-1, GLYCEROL
Authors:Mazur, M, Olczak, J, Olejniczak, S, Koralewski, R, Czestkowski, W, Jedrzejczak, A, Golab, J, Dzwonek, K, Dymek, B, Sklepkiewicz, P, Zagozdzon, A, Noonan, T, Mahboubi, K, Conway, B, Sheeler, R, Beckett, P, Hungerford, W.M, Podjarny, A, Mitschler, A, Cousido-Siah, A, Fadel, F, Golebiowski, A.
Deposit date:2017-04-22
Release date:2018-03-28
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.267 Å)
Cite:Targeting Acidic Mammalian chitinase Is Effective in Animal Model of Asthma.
J. Med. Chem., 61, 2018
8R42
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BU of 8r42 by Molmil
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
8R41
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BU of 8r41 by Molmil
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
8R4X
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BU of 8r4x by Molmil
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
8XBD
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BU of 8xbd by Molmil
GH18 family chitinase from cold seep metagenome
Descriptor: GH18 chitinase-like superfamily protein
Authors:Yang, J.
Deposit date:2023-12-06
Release date:2023-12-27
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:GH18 family chitinase from cold seep metagenome
To Be Published
7Z65
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BU of 7z65 by Molmil
A GH18 from haloalkaliphilic bacterium unveils environment-dependent variations in the catalytic machinery of chitinases
Descriptor: 1,2-ETHANEDIOL, Chitinase, GH18 family
Authors:Madhuprakash, J, Dalhus, B, Rohr, A.K, Bissaro, B, Vaaje-Kolstad, G, Sorlie, M, Eijsink, V.G.
Deposit date:2022-03-11
Release date:2024-01-17
Method:X-RAY DIFFRACTION (1.108 Å)
Cite:A GH18 from haloalkaliphilic bacterium unveils environment-dependent variations in the catalytic machinery of chitinases
To Be Published
7Z64
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BU of 7z64 by Molmil
A GH18 from haloalkaliphilic bacterium unveils environment-dependent variations in the catalytic machinery of chitinases
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Chitinase, ...
Authors:Madhuprakash, J, Dalhus, B, Rohr, A.K, Bissaro, B, Vaaje-Kolstad, G, Sorlie, M, Eijsink, V.G.
Deposit date:2022-03-10
Release date:2024-01-17
Method:X-RAY DIFFRACTION (1.31 Å)
Cite:A GH18 from haloalkaliphilic bacterium unveils environment-dependent variations in the catalytic machinery of chitinases
To Be Published
7ZY9
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BU of 7zy9 by Molmil
Structure of D165A/D167A double mutant of Chit33 from Trichoderma harzianum complexed with chitintetraose.
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Endochitinase 33
Authors:Jimenez-Ortega, E, Sanz-Aparicio, J.
Deposit date:2022-05-24
Release date:2022-08-31
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structure-Function Insights into the Fungal Endo -Chitinase Chit33 Depict its Mechanism on Chitinous Material.
Int J Mol Sci, 23, 2022
7ZYA
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BU of 7zya by Molmil
Structure of Chit33 from Trichoderma harzianum.
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DI(HYDROXYETHYL)ETHER, Endochitinase 33, ...
Authors:Jimenez-Ortega, E, Sanz-Aparicio, J.
Deposit date:2022-05-24
Release date:2022-08-31
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.12 Å)
Cite:Structure-Function Insights into the Fungal Endo -Chitinase Chit33 Depict its Mechanism on Chitinous Material.
Int J Mol Sci, 23, 2022

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