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8I18
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BU of 8i18 by Molmil
Crystal structure of human MTH1(G2K mutant) in complex with 8-oxo-dGTP at pH 7.7
Descriptor: 7,8-dihydro-8-oxoguanine triphosphatase, 8-OXO-2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, SODIUM ION
Authors:Nakamura, T, Yamagata, Y.
Deposit date:2023-01-13
Release date:2023-03-22
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Protonation states of Asp residues in the human Nudix hydrolase MTH1 contribute to its broad substrate recognition.
Febs Lett., 597, 2023
8I12
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BU of 8i12 by Molmil
InuAMN8
Descriptor: DI(HYDROXYETHYL)ETHER, GLYCEROL, Glycosyl hydrolase family 32 exo-inulinase
Authors:Zhou, J.P, Cen, X.L, He, L.M, Zhang, R, Huang, Z.X.
Deposit date:2023-01-12
Release date:2024-04-24
Method:X-RAY DIFFRACTION (1.36 Å)
Cite:Cold-active and NaCl-tolerant exo-inulinase InuAMN8.
To Be Published
8I0X
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BU of 8i0x by Molmil
Beta-Xylosidase JB13GH39P28 showing salt/ethanol/trypsin tolerance, low-pH/low-Temperature activity, and transformation of notoginsenosides
Descriptor: Glycoside hydrolase family 39 beta-xylosidase
Authors:Zhou, J.P, Cao, L.J, Lin, M.Y, Zhang, R, Huang, Z.X.
Deposit date:2023-01-11
Release date:2024-04-24
Method:X-RAY DIFFRACTION (2 Å)
Cite:beta-Xylosidase JB13GH39P28(D41G)showing salt/ethanol/trypsin tolerance and transformation of notoginsenosides
To Be Published
8I0M
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BU of 8i0m by Molmil
Structure of CDK6 in complex with inhibitor
Descriptor: 2-[(4-azanylcyclohexyl)amino]-7-cyclopentyl-~{N},~{N}-dimethyl-pyrrolo[2,3-d]pyrimidine-6-carboxamide, Cyclin-dependent kinase 6
Authors:Jiang, C, Ye, Y, Huang, Y.
Deposit date:2023-01-11
Release date:2024-01-24
Method:X-RAY DIFFRACTION (2.7772 Å)
Cite:Structure of CDK6 in complex with inhibitor
To Be Published
8I0J
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BU of 8i0j by Molmil
JB13GH39P28 mutant-D41G
Descriptor: CHLORIDE ION, Glycoside hydrolase family 39 beta-xylosidase
Authors:Zhou, J.P, Cao, L.J, Lin, M.Y, Zhang, R, Huang, Z.X.
Deposit date:2023-01-11
Release date:2024-04-24
Method:X-RAY DIFFRACTION (1.44 Å)
Cite:beta-Xylosidase JB13GH39P28 (D41G) showing salt/ethanol/trypsin tolerance and transformation of notoginsenosides
To Be Published
8I0D
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BU of 8i0d by Molmil
Sb3GT1 375S/Q377H mutant complex with UDP-Glc
Descriptor: Glycosyltransferase, URIDINE-5'-DIPHOSPHATE-GLUCOSE
Authors:Wang, H.T, Wang, Z.L, Ye, M.
Deposit date:2023-01-10
Release date:2023-09-20
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.43 Å)
Cite:Insights into the missing apiosylation step in flavonoid apiosides biosynthesis of Leguminosae plants.
Nat Commun, 14, 2023
8I0C
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BU of 8i0c by Molmil
Crystal structure of Aldo-keto reductase 1C3 complexed with compound S0703
Descriptor: 1-[4-[3,5-bis(chloranyl)phenyl]-3-fluoranyl-phenyl]cyclopropane-1-carboxylic acid, Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Jiang, J, He, S, Liu, Y, Fang, P, Sun, H.
Deposit date:2023-01-10
Release date:2023-09-20
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:Development of Biaryl-Containing Aldo-Keto Reductase 1C3 (AKR1C3) Inhibitors for Reversing AKR1C3-Mediated Drug Resistance in Cancer Treatment.
J.Med.Chem., 66, 2023
8I05
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BU of 8i05 by Molmil
Crystal structure of Escherichia coli glyoxylate carboligase double mutant
Descriptor: 2,3-DIMETHOXY-5-METHYL-1,4-BENZOQUINONE, FLAVIN-ADENINE DINUCLEOTIDE, Glyoxylate carboligase, ...
Authors:Kim, J.H, Kim, J.S.
Deposit date:2023-01-10
Release date:2023-11-22
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Engineering of two thiamine diphosphate-dependent enzymes for the regioselective condensation of C1-formaldehyde into C4-erythrulose.
Int.J.Biol.Macromol., 253, 2023
8I03
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BU of 8i03 by Molmil
Cryo-EM structure of the SIN3L complex from S. pombe
Descriptor: Chromatin modification-related protein png2, Histone deacetylase clr6, POTASSIUM ION, ...
Authors:Wang, C, Guo, Z, Zhan, X.
Deposit date:2023-01-10
Release date:2023-05-03
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Two assembly modes for SIN3 histone deacetylase complexes.
Cell Discov, 9, 2023
8I02
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BU of 8i02 by Molmil
Cryo-EM structure of the SIN3S complex from S. pombe
Descriptor: Chromatin modification-related protein eaf3, Cph1, Histone deacetylase clr6, ...
Authors:Wang, C, Guo, Z, Zhan, X.
Deposit date:2023-01-10
Release date:2023-05-03
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Two assembly modes for SIN3 histone deacetylase complexes.
Cell Discov, 9, 2023
8I01
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BU of 8i01 by Molmil
Crystal structure of Escherichia coli glyoxylate carboligase
Descriptor: 2,3-DIMETHOXY-5-METHYL-1,4-BENZOQUINONE, FLAVIN-ADENINE DINUCLEOTIDE, Glyoxylate carboligase, ...
Authors:Kim, J.H, Kim, J.S.
Deposit date:2023-01-10
Release date:2023-11-22
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Engineering of two thiamine diphosphate-dependent enzymes for the regioselective condensation of C1-formaldehyde into C4-erythrulose.
Int.J.Biol.Macromol., 253, 2023
8HZW
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BU of 8hzw by Molmil
The NMR structure of noursinH11W peptide
Descriptor: noursinH11W
Authors:Yao, H, Li, Y, Zhang, T, Gao, J, Wang, H.
Deposit date:2023-01-09
Release date:2023-05-31
Last modified:2024-05-08
Method:SOLUTION NMR
Cite:Discovery and biosynthesis of tricyclic copper-binding ribosomal peptides containing histidine-to-butyrine crosslinks.
Nat Commun, 14, 2023
8HZV
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BU of 8hzv by Molmil
The crystal structure of a Radical SAM Enzyme DesII
Descriptor: GLYCEROL, IRON/SULFUR CLUSTER, METHIONINE, ...
Authors:Hou, X.L, Zhou, J.H.
Deposit date:2023-01-09
Release date:2024-07-10
Method:X-RAY DIFFRACTION (2.33001685 Å)
Cite:Mechanistic Insights from the Crystal Structure and Computational Analysis of the Radical SAM Deaminase DesII.
Adv Sci, 2024
8HZR
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BU of 8hzr by Molmil
Crystal structure of SARS-Cov-2 main protease S46F mutant in complex with PF07321332
Descriptor: (1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5
Authors:Zeng, X.Y, Zhang, J, Li, J.
Deposit date:2023-01-09
Release date:2024-01-17
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Crystal structure of SARS-Cov-2 main protease S46F mutant in complex with PF07321332
To Be Published
8HZ9
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BU of 8hz9 by Molmil
Crystal structure of AtHPPD-Y181136 complex
Descriptor: 4-hydroxyphenylpyruvate dioxygenase, 5-methyl-6-[(2-methyl-3-oxidanylidene-1H-pyrazol-4-yl)carbonyl]-3-propan-2-yl-1,2,3-benzotriazin-4-one, COBALT (II) ION
Authors:Dong, J, Lin, H.-Y, Yang, G.-F.
Deposit date:2023-01-08
Release date:2023-12-20
Method:X-RAY DIFFRACTION (2.011 Å)
Cite:Crystal structure of AtHPPD-Y181136 complex
To Be Published
8HYL
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BU of 8hyl by Molmil
Crystal structure of DO1 Fv-clasp fragment
Descriptor: VH-SARAH, VL-SARAH
Authors:Anan, Y, Lu, P, Nagata, K, Itakura, M, Uchida, K.
Deposit date:2023-01-06
Release date:2024-02-14
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:Molecular and structural basis of anti-DNA antibody specificity for pyrrolated proteins.
Commun Biol, 7, 2024
8HYI
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BU of 8hyi by Molmil
Crystal structure of human P-cadherin MEC12 (X dimer) in complex with 2-(2-methyl-5-phenyl-1H-indole-3-yl)ethan-1-amine
Descriptor: 2-(2-methyl-5-phenyl-1H-indole-3-yl)ethan-1-amine, CALCIUM ION, Cadherin-3, ...
Authors:Senoo, A, Ito, S, Ueno, G, Nagatoishi, S, Tsumoto, K.
Deposit date:2023-01-06
Release date:2023-08-30
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Modulation of a conformational ensemble by a small molecule that inhibits key protein-protein interactions involved in cell adhesion.
Protein Sci., 32, 2023
8HYF
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BU of 8hyf by Molmil
Crystal Structure of Banana Lectin In-complex with Fucose at 2.95 A Resolution
Descriptor: CADMIUM ION, CHLORIDE ION, GLYCEROL, ...
Authors:Rasheed, S, Arif, R, Huda, N, Ahmad, M.S, Mateen, S.M.
Deposit date:2023-01-06
Release date:2024-01-17
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Crystal Structure of Banana Lectin in-Complex with L-Fucose at 2.95 A Resolution
To Be Published
8HYE
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BU of 8hye by Molmil
Structure of amino acid dehydrogenase-2752 with ligand
Descriptor: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Alanine dehydrogenase, ...
Authors:Sakuraba, H, Ohshima, T.
Deposit date:2023-01-06
Release date:2023-04-05
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Two different alanine dehydrogenases from Geobacillus kaustophilus: Their biochemical characteristics and differential expression in vegetative cells and spores.
Biochim Biophys Acta Proteins Proteom, 1871, 2023
8HYA
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BU of 8hya by Molmil
Cryo-EM structure of Arabidopsis thaliana SOS1 in an occluded state, with expanded TMD
Descriptor: HEXADECANE, Sodium/hydrogen exchanger 7
Authors:Wang, Y, Zhao, Y, Gao, Y.
Deposit date:2023-01-06
Release date:2023-08-09
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Architecture and autoinhibitory mechanism of the plasma membrane Na + /H + antiporter SOS1 in Arabidopsis.
Nat Commun, 14, 2023
8HY6
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BU of 8hy6 by Molmil
Crystal structure of B1 NDM-1 MBL in complex with 2-amino-5-phenethylthiazole-4-carboxylic acid
Descriptor: 2-azanyl-5-(2-phenylethyl)-1,3-thiazole-4-carboxylic acid, GLYCEROL, Metallo-beta-lactamase type 2, ...
Authors:Yan, Y.-H, Zhu, K.-R, Li, G.-B.
Deposit date:2023-01-05
Release date:2023-11-01
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Discovery of 2-Aminothiazole-4-carboxylic Acids as Broad-Spectrum Metallo-beta-lactamase Inhibitors by Mimicking Carbapenem Hydrolysate Binding.
J.Med.Chem., 66, 2023
8HY3
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BU of 8hy3 by Molmil
Crystal structure of human secretory glutaminyl cyclase in complex with 1-benzyl-5-methyl-1H-imidazole
Descriptor: 5-methyl-1-(phenylmethyl)imidazole, CARBON DIOXIDE, GLYCEROL, ...
Authors:Li, G.-B, Deng, J.
Deposit date:2023-01-05
Release date:2024-05-08
Method:X-RAY DIFFRACTION (1.952 Å)
Cite:Crystal structure of human secretory glutaminyl cyclase in complex with 1-benzyl-5-methyl-1H-imidazole
To Be Published
8HY0
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BU of 8hy0 by Molmil
Composite cryo-EM structure of the histone deacetylase complex Rpd3S in complex with nucleosome
Descriptor: Chromatin modification-related protein EAF3, DNA (352-MER), Histone H2A, ...
Authors:Cui, H, Wang, H.
Deposit date:2023-01-05
Release date:2023-09-27
Last modified:2023-12-27
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structure of histone deacetylase complex Rpd3S bound to nucleosome.
Nat.Struct.Mol.Biol., 30, 2023
8HXY
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BU of 8hxy by Molmil
Cryo-EM structure of the histone deacetylase complex Rpd3S in complex with nucleosome
Descriptor: Chromatin modification-related protein EAF3, DNA (352-MER), Histone H2A, ...
Authors:Cui, H, Wang, H.
Deposit date:2023-01-05
Release date:2023-09-27
Last modified:2023-12-27
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structure of histone deacetylase complex Rpd3S bound to nucleosome.
Nat.Struct.Mol.Biol., 30, 2023
8HXX
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BU of 8hxx by Molmil
Cryo-EM structure of the histone deacetylase complex Rpd3S
Descriptor: Chromatin modification-related protein EAF3, Histone H3, Histone deacetylase RPD3, ...
Authors:Cui, H, Wang, H.
Deposit date:2023-01-05
Release date:2023-09-27
Last modified:2023-12-27
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Structure of histone deacetylase complex Rpd3S bound to nucleosome.
Nat.Struct.Mol.Biol., 30, 2023

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