6JAV
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![BU of 6jav by Molmil](/molmil-images/mine/6jav) | Crystal structure of Ostrinia furnacalis Group II chitinase catalytic domain 1 in complex with a piperidine-thienopyridine derivative | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-{[(4-chlorophenyl)methyl]sulfanyl}-7-methyl-N-(prop-2-en-1-yl)-7,8-dihydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4-amine, Group II chitinase | Authors: | Chen, W, Zhou, Y, Yang, Q. | Deposit date: | 2019-01-25 | Release date: | 2019-05-15 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.437 Å) | Cite: | Structural dissection reveals a general mechanistic principle for group II chitinase (ChtII) inhibition. J.Biol.Chem., 294, 2019
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6JAY
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![BU of 6jay by Molmil](/molmil-images/mine/6jay) | Crystal structure of Ostrinia furnacalis Group II chitinase catalytic domain 1 in complex with a dipyrido-pyrimidine derivative | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-amino-1-[(furan-2-yl)methyl]-5-oxo-3-({[(2S)-oxolan-2-yl]methyl}carbamoyl)-5H-dipyrido[1,2-a:2',3'-d]pyrimidin-1-ium, Group II chitinase | Authors: | Chen, W, Zhou, Y, Yang, Q. | Deposit date: | 2019-01-25 | Release date: | 2019-05-15 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.498 Å) | Cite: | Structural dissection reveals a general mechanistic principle for group II chitinase (ChtII) inhibition. J.Biol.Chem., 294, 2019
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7W0V
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![BU of 7w0v by Molmil](/molmil-images/mine/7w0v) | C4'-SCF3-DT modifeid DNA-DNA duplex | Descriptor: | DNA (5'-D(*CP*CP*AP*TP*(DSW)P*AP*TP*AP*GP*C)-3'), DNA (5'-D(*GP*CP*TP*AP*TP*AP*AP*TP*GP*G)-3') | Authors: | Li, Q, Trajkovski, M, Fan, C, Chen, J, Zhou, Y, Lu, K, Li, H, Su, X, Xi, Z, Plavec, J, Zhou, C. | Deposit date: | 2021-11-18 | Release date: | 2022-11-16 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | 4'-SCF 3 -Labeling Constitutes a Sensitive 19 F NMR Probe for Characterization of Interactions in the Minor Groove of DNA. Angew.Chem.Int.Ed.Engl., 61, 2022
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6JAX
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![BU of 6jax by Molmil](/molmil-images/mine/6jax) | Crystal structure of Ostrinia furnacalis Group II chitinase catalytic domain 1 in complex with chitooctaose [(GlcN)8] | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-amino-2-deoxy-beta-D-glucopyranose-(1-4)-2-amino-2-deoxy-beta-D-glucopyranose-(1-4)-2-amino-2-deoxy-beta-D-glucopyranose-(1-4)-2-amino-2-deoxy-beta-D-glucopyranose-(1-4)-2-amino-2-deoxy-beta-D-glucopyranose-(1-4)-2-amino-2-deoxy-beta-D-glucopyranose-(1-4)-2-amino-2-deoxy-beta-D-glucopyranose-(1-4)-2-amino-2-deoxy-beta-D-glucopyranose, Group II chitinase | Authors: | Chen, W, Zhou, Y, Yang, Q. | Deposit date: | 2019-01-25 | Release date: | 2019-05-15 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural dissection reveals a general mechanistic principle for group II chitinase (ChtII) inhibition. J.Biol.Chem., 294, 2019
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5ZNT
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![BU of 5znt by Molmil](/molmil-images/mine/5znt) | Insect chitin deacetylase | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ZINC ION, ... | Authors: | Liu, L, Zhou, Y, Yang, Q. | Deposit date: | 2018-04-10 | Release date: | 2019-02-20 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.979 Å) | Cite: | Structural and biochemical insights into the catalytic mechanisms of two insect chitin deacetylases of the carbohydrate esterase 4 family. J. Biol. Chem., 294, 2019
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7X8X
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![BU of 7x8x by Molmil](/molmil-images/mine/7x8x) | structural insights into Mycobacterium tuberculosis ClpP1P2 inhibition by Cediranib: implications for developing antimicrobial agents targeting Clp protease | Descriptor: | 4-[1-[3-[4-[(4-fluoranyl-2-methyl-1H-indol-5-yl)oxy]-6-methoxy-quinazolin-7-yl]oxypropyl]piperidin-4-yl]benzamide, 4-[[3,5-bis(fluoranyl)phenyl]methyl]-N-[(4-bromophenyl)methyl]piperazine-1-carboxamide, ATP-dependent Clp protease proteolytic subunit 1, ... | Authors: | Bao, R, Luo, Y.F, Zhu, Y.B, Yang, Y, Zhou, Y.Z. | Deposit date: | 2022-03-15 | Release date: | 2023-04-12 | Last modified: | 2024-04-24 | Method: | X-RAY DIFFRACTION (3.24 Å) | Cite: | Discovery and Mechanistic Study of Novel Mycobacterium tuberculosis ClpP1P2 Inhibitors J.Med.Chem., 66, 2023
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5ZNS
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![BU of 5zns by Molmil](/molmil-images/mine/5zns) | Insect chitin deacetylase | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ZINC ION, ... | Authors: | Liu, L, Zhou, Y, Yang, Q. | Deposit date: | 2018-04-10 | Release date: | 2019-02-20 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.396 Å) | Cite: | Structural and biochemical insights into the catalytic mechanisms of two insect chitin deacetylases of the carbohydrate esterase 4 family. J. Biol. Chem., 294, 2019
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8HE4
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![BU of 8he4 by Molmil](/molmil-images/mine/8he4) | The structure of chitin deacetylase Pst_13661 from Puccinia striiformis f. sp. tritici | Descriptor: | Chitin deacetylase, ZINC ION, ~{N}-oxidanylnaphthalene-1-carboxamide | Authors: | Liu, L, Li, Y.C, Zhou, Y, Yang, Q. | Deposit date: | 2022-11-07 | Release date: | 2023-05-31 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Inhibition of chitin deacetylases to attenuate plant fungal diseases. Nat Commun, 14, 2023
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8HE2
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![BU of 8he2 by Molmil](/molmil-images/mine/8he2) | The structure of chitin deacetylase Pst_13661 from Puccinia striiformis f. sp. tritici | Descriptor: | Chitin deacetylase, ZINC ION, tert-butyl N-[3-[[4-(oxidanylcarbamoyl)phenyl]methylamino]-3-oxidanylidene-propyl]carbamate | Authors: | Liu, L, Li, Y.C, Zhou, Y, Yang, Q. | Deposit date: | 2022-11-07 | Release date: | 2023-05-31 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.61 Å) | Cite: | Inhibition of chitin deacetylases to attenuate plant fungal diseases. Nat Commun, 14, 2023
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8HE1
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![BU of 8he1 by Molmil](/molmil-images/mine/8he1) | The structure of chitin deacetylase Pst_13661 from Puccinia striiformis f. sp. tritici | Descriptor: | BENZHYDROXAMIC ACID, Chitin deacetylase, ZINC ION | Authors: | Liu, L, Li, Y.C, Zhou, Y, Yang, Q. | Deposit date: | 2022-11-07 | Release date: | 2023-05-31 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.61 Å) | Cite: | Inhibition of chitin deacetylases to attenuate plant fungal diseases. Nat Commun, 14, 2023
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8HFA
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![BU of 8hfa by Molmil](/molmil-images/mine/8hfa) | |
8HF9
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![BU of 8hf9 by Molmil](/molmil-images/mine/8hf9) | The structure of chitin deacetylase Pst_13661 from Puccinia striiformis f. sp. tritici | Descriptor: | Chitin deacetylase, ZINC ION | Authors: | Liu, L, Li, Y.C, Zhou, Y, Yang, Q. | Deposit date: | 2022-11-10 | Release date: | 2023-05-31 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Inhibition of chitin deacetylases to attenuate plant fungal diseases. Nat Commun, 14, 2023
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5WVH
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![BU of 5wvh by Molmil](/molmil-images/mine/5wvh) | |
5WV9
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![BU of 5wv9 by Molmil](/molmil-images/mine/5wv9) | |
5WVF
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![BU of 5wvf by Molmil](/molmil-images/mine/5wvf) | |
5WVB
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![BU of 5wvb by Molmil](/molmil-images/mine/5wvb) | |
5WUP
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![BU of 5wup by Molmil](/molmil-images/mine/5wup) | |
5WVG
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![BU of 5wvg by Molmil](/molmil-images/mine/5wvg) | |
5WUS
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![BU of 5wus by Molmil](/molmil-images/mine/5wus) | |
5WV8
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![BU of 5wv8 by Molmil](/molmil-images/mine/5wv8) | |
5K6J
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![BU of 5k6j by Molmil](/molmil-images/mine/5k6j) | Human Phospodiesterase 4B in complex with pyridyloxy-benzoxaborole based inhibitor | Descriptor: | 1,2-ETHANEDIOL, 6-[[7,7-bis(oxidanyl)-8-oxa-7-boranuidabicyclo[4.3.0]nona-1(6),2,4-trien-3-yl]oxy]-5-chloranyl-2-(4-oxidanylidenepentoxy)pyridine-3-carbonitrile, MAGNESIUM ION, ... | Authors: | Rock, F.L, Zhou, Y, Sullivan, D. | Deposit date: | 2016-05-24 | Release date: | 2017-05-31 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | To be published To Be Published
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8HTD
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![BU of 8htd by Molmil](/molmil-images/mine/8htd) | Crystal structure of an effector from Chromobacterium violaceum in complex with ubiquitin | Descriptor: | NAD(+)--protein-threonine ADP-ribosyltransferase, Ubiquitin | Authors: | Tan, J, Wang, X, Zhou, Y, Zhu, Y. | Deposit date: | 2022-12-21 | Release date: | 2023-11-22 | Last modified: | 2024-04-10 | Method: | X-RAY DIFFRACTION (1.848 Å) | Cite: | Molecular basis of threonine ADP-ribosylation of ubiquitin by bacterial ARTs. Nat.Chem.Biol., 20, 2024
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8HTC
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![BU of 8htc by Molmil](/molmil-images/mine/8htc) | Crystal structure of a SeMet-labeled effector from Chromobacterium violaceum in complex with Ubiquitin | Descriptor: | NAD(+)--protein-threonine ADP-ribosyltransferase, Ubiquitin-40S ribosomal protein S27a (Fragment) | Authors: | Tan, J, Wang, X, Zhou, Y, Zhu, Y. | Deposit date: | 2022-12-21 | Release date: | 2023-11-22 | Last modified: | 2024-04-10 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Molecular basis of threonine ADP-ribosylation of ubiquitin by bacterial ARTs. Nat.Chem.Biol., 20, 2024
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8HTE
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![BU of 8hte by Molmil](/molmil-images/mine/8hte) | Crystal structure of an effector mutant in complex with ubiquitin | Descriptor: | GLYCEROL, NAD(+)--protein-threonine ADP-ribosyltransferase, NICOTINAMIDE, ... | Authors: | Tan, J, Wang, X, Zhou, Y, Zhu, Y. | Deposit date: | 2022-12-21 | Release date: | 2023-11-22 | Last modified: | 2024-04-10 | Method: | X-RAY DIFFRACTION (2.307 Å) | Cite: | Molecular basis of threonine ADP-ribosylation of ubiquitin by bacterial ARTs. Nat.Chem.Biol., 20, 2024
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8HTF
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![BU of 8htf by Molmil](/molmil-images/mine/8htf) | Crystal structure of an effector in complex with ubiquitin | Descriptor: | NAD(+)--protein-threonine ADP-ribosyltransferase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Ubiquitin-40S ribosomal protein S27a (Fragment) | Authors: | Tan, J, Wang, X, Zhou, Y, Zhu, Y. | Deposit date: | 2022-12-21 | Release date: | 2023-11-22 | Last modified: | 2024-04-10 | Method: | X-RAY DIFFRACTION (2.151 Å) | Cite: | Molecular basis of threonine ADP-ribosylation of ubiquitin by bacterial ARTs. Nat.Chem.Biol., 20, 2024
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