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6IX4
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BU of 6ix4 by Molmil
Structure of an epoxide hydrolase from Aspergillus usamii E001 (AuEH2) at 1.51 Angstroms resolution
Descriptor: ACETATE ION, CHLORIDE ION, GLYCEROL, ...
Authors:Hu, D, Hu, B.C, Hou, X.D, Wu, L, Rao, Y.J, Wu, M.C.
Deposit date:2018-12-09
Release date:2019-12-11
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.511 Å)
Cite:Nearly perfect kinetic resolution of racemic o-nitrostyrene oxide by AuEH2, a microsomal epoxide hydrolase from Aspergillus usamii, with high enantio- and regio-selectivity.
Int.J.Biol.Macromol., 169, 2021
6IX2
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BU of 6ix2 by Molmil
Structure of the A214C/A250I mutant of an epoxide hydrolase from Aspergillus usamii E001 (AuEH2) at 1.48 Angstroms resolution
Descriptor: GLYCEROL, Microsomal epoxide hyddrolase
Authors:Hu, D, Hu, B.C, Hou, X.D, Rao, Y.J, Wu, M.C.
Deposit date:2018-12-09
Release date:2019-12-11
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.478 Å)
Cite:Structure-Guided Regulation in the Enantioselectivity of an Epoxide Hydrolase to Produce Enantiomeric Monosubstituted Epoxides and Vicinal Diols via Kinetic Resolution.
Org.Lett., 24, 2022
1DFA
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BU of 1dfa by Molmil
CRYSTAL STRUCTURE OF PI-SCEI IN C2 SPACE GROUP
Descriptor: PI-SCEI ENDONUCLEASE
Authors:Hu, D, Crist, M, Duan, X, Quiocho, F.A, Gimble, F.S.
Deposit date:1999-11-18
Release date:1999-12-08
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2 Å)
Cite:Probing the structure of the PI-SceI-DNA complex by affinity cleavage and affinity photocross-linking.
J.Biol.Chem., 275, 2000
8XIZ
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BU of 8xiz by Molmil
Crystal structure of an epoxide hydrolase mutant A250IC/L344V from Aspergillus usamii E001 at 2.17 Angstroms resolution
Descriptor: Microsomal epoxide hyddrolase
Authors:Hu, B.C, Lu, Z.Y, Tang, C.D, Hu, D.
Deposit date:2023-12-20
Release date:2024-02-07
Method:X-RAY DIFFRACTION (2.175 Å)
Cite:Directed evolution of an epoxide hydrolase and its structural mechanism for the enantioselectivity improvement toward chiral ortho-fluorostyrene oxide
To Be Published
8WP5
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BU of 8wp5 by Molmil
Crystal structure of LbUGT1 in complex with UDP
Descriptor: CHLORIDE ION, Glycosyltransferase, URIDINE-5'-DIPHOSPHATE
Authors:Hu, D, Wang, G.Q.
Deposit date:2023-10-08
Release date:2024-05-22
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2.57005954 Å)
Cite:Functional and structural dissection of glycosyltransferases underlying the glycodiversity of wolfberry-derived bioactive ingredients lycibarbarspermidines.
Nat Commun, 15, 2024
8W53
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BU of 8w53 by Molmil
Crystal structure of LbUGT in complex with UDP
Descriptor: GLYCEROL, Glycosyltransferase, URIDINE-5'-DIPHOSPHATE
Authors:Hu, D, Wang, G.Q.
Deposit date:2023-08-25
Release date:2024-05-22
Last modified:2024-06-12
Method:X-RAY DIFFRACTION (2.42816162 Å)
Cite:Functional and structural dissection of glycosyltransferases underlying the glycodiversity of wolfberry-derived bioactive ingredients lycibarbarspermidines.
Nat Commun, 15, 2024
3WG1
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BU of 3wg1 by Molmil
Crystal structure of Agrocybe cylindracea galectin with lactose
Descriptor: Galactoside-binding lectin, beta-D-galactopyranose-(1-4)-beta-D-glucopyranose
Authors:Kuwabara, N, Hu, D, Tateno, H, Makio, H, Hirabayashi, J, Kato, R.
Deposit date:2013-07-25
Release date:2013-11-27
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Conformational change of a unique sequence in a fungal galectin from Agrocybe cylindracea controls glycan ligand-binding specificity.
Febs Lett., 587, 2013
3WG2
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BU of 3wg2 by Molmil
Crystal structure of Agrocybe cylindracea galectin mutant (N46A)
Descriptor: Galactoside-binding lectin, TRIETHYLENE GLYCOL
Authors:Kuwabara, N, Hu, D, Tateno, H, Makio, H, Hirabayashi, J, Kato, R.
Deposit date:2013-07-25
Release date:2013-11-27
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Conformational change of a unique sequence in a fungal galectin from Agrocybe cylindracea controls glycan ligand-binding specificity.
Febs Lett., 587, 2013
3WG4
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BU of 3wg4 by Molmil
Crystal structure of Agrocybe cylindracea galectin mutant (N46A) with blood type A antigen tetraose
Descriptor: DI(HYDROXYETHYL)ETHER, Galactoside-binding lectin, alpha-L-fucopyranose-(1-2)-[2-acetamido-2-deoxy-alpha-D-galactopyranose-(1-3)]beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
Authors:Kuwabara, N, Hu, D, Tateno, H, Makio, H, Hirabayashi, J, Kato, R.
Deposit date:2013-07-25
Release date:2013-11-27
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Conformational change of a unique sequence in a fungal galectin from Agrocybe cylindracea controls glycan ligand-binding specificity.
Febs Lett., 587, 2013
3WG3
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BU of 3wg3 by Molmil
Crystal structure of Agrocybe cylindracea galectin with blood type A antigen tetraose
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Galactoside-binding lectin, ...
Authors:Kuwabara, N, Hu, D, Tateno, H, Makio, H, Hirabayashi, J, Kato, R.
Deposit date:2013-07-25
Release date:2013-11-27
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Conformational change of a unique sequence in a fungal galectin from Agrocybe cylindracea controls glycan ligand-binding specificity.
Febs Lett., 587, 2013
3AIH
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BU of 3aih by Molmil
Human OS-9 MRH domain complexed with alpha3,alpha6-Man5
Descriptor: Protein OS-9, alpha-D-mannopyranose-(1-6)-alpha-D-mannopyranose-(1-6)-beta-D-mannopyranose
Authors:Satoh, T, Chen, Y, Hu, D, Hanashima, S, Yamamoto, K, Yamaguchi, Y.
Deposit date:2010-05-14
Release date:2010-12-22
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural Basis for Oligosaccharide Recognition of Misfolded Glycoproteins by OS-9 in ER-Associated Degradation
Mol.Cell, 40, 2010
8X1F
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BU of 8x1f by Molmil
Crystal structure of an omega-transaminase mutant from Aspergillus terreus with in complex with PLP
Descriptor: D-aminoacid aminotransferase-like PLP-dependent enzyme, PYRIDOXAL-5'-PHOSPHATE
Authors:Hu, D, Lu, Z.Y, Xu, D.Z, He, Y.C.
Deposit date:2023-11-07
Release date:2023-12-13
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Efficient bioamination with an w-transaminase mutant from Aspergillus terreus
To Be Published
6LYH
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BU of 6lyh by Molmil
Crystal structure of tea N9-methyltransferase CkTcS in complex with SAH and 1,3,7-trimethyluric acid
Descriptor: 1,3,7-trimethyl-9H-purine-2,6,8-trione, N-methyltransferase CkTcS, S-ADENOSYL-L-HOMOCYSTEINE
Authors:Wang, Y, Zhang, Z.-M.
Deposit date:2020-02-14
Release date:2020-03-04
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.15000319 Å)
Cite:Identification and characterization of N9-methyltransferase involved in converting caffeine into non-stimulatory theacrine in tea.
Nat Commun, 11, 2020
6LYI
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BU of 6lyi by Molmil
Crystal structure of a N-methyltransferase CkTbS from Camellia assamica var. kucha
Descriptor: N-methyltransferase CkTbS
Authors:Wang, Y, Zhang, Z.M.
Deposit date:2020-02-14
Release date:2020-03-04
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:Identification and characterization of N9-methyltransferase involved in converting caffeine into non-stimulatory theacrine in tea.
Nat Commun, 11, 2020
3X1O
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BU of 3x1o by Molmil
Crystal structure of the ROQ domain of human Roquin
Descriptor: IODIDE ION, Roquin-1
Authors:Ose, T, Verma, A, Cockburn, J.B, Berrow, N.S, Alderton, D, Stuart, D, Owens, R.J, Jones, E.Y.
Deposit date:2014-11-26
Release date:2015-03-11
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.201 Å)
Cite:Roquin binds microRNA-146a and Argonaute2 to regulate microRNA homeostasis
Nat Commun, 6, 2015
8XB0
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BU of 8xb0 by Molmil
Structure-Based Design and Optimization of Methionine Adenosyltransferase 2A (MAT2A) Inhibitors with SAM and Compound 292
Descriptor: 1,2-ETHANEDIOL, 7-chloranyl-5-(2-cyclopropylpyridin-3-yl)-8-fluoranyl-2-methyl-pyrazolo[3,4-c]quinolin-4-one, CHLORIDE ION, ...
Authors:Tong, S.L, Zhang, G.P.
Deposit date:2023-12-05
Release date:2024-06-26
Method:X-RAY DIFFRACTION (1.12 Å)
Cite:Structure-Based Design and Optimization of Methionine Adenosyltransferase 2A (MAT2A) Inhibitors with High Selectivity, Brain Penetration, and In Vivo Efficacy.
J.Med.Chem., 67, 2024
8XAR
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BU of 8xar by Molmil
Structure-Based Design and Optimization of Methionine Adenosyltransferase 2A (MAT2A) Inhibitors with SAM and Compound 54
Descriptor: 1,2-ETHANEDIOL, 7-chloranyl-2-ethyl-5-pyridin-3-yl-pyrazolo[3,4-c]quinolin-4-one, CHLORIDE ION, ...
Authors:Zheng, J.Y, Zhang, G.P, Li, J.J, Tong, S.L.
Deposit date:2023-12-05
Release date:2024-06-26
Method:X-RAY DIFFRACTION (1.19 Å)
Cite:Structure-Based Design and Optimization of Methionine Adenosyltransferase 2A (MAT2A) Inhibitors with High Selectivity, Brain Penetration, and In Vivo Efficacy.
J.Med.Chem., 67, 2024
4HP3
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BU of 4hp3 by Molmil
Crystal structure of Tet3 in complex with a CpG dsDNA
Descriptor: DNA (5'-D(*GP*CP*CP*AP*AP*CP*GP*TP*TP*GP*GP*C)-3'), LOC100036628 protein, UNKNOWN ATOM OR ION, ...
Authors:Chao, X, Tempel, W, Bian, C, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2012-10-23
Release date:2012-12-05
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Tet3 CXXC Domain and Dioxygenase Activity Cooperatively Regulate Key Genes for Xenopus Eye and Neural Development.
Cell(Cambridge,Mass.), 151, 2012
4HP1
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BU of 4hp1 by Molmil
Crystal structure of Tet3 in complex with a non-CpG dsDNA
Descriptor: DNA (5'-D(*GP*CP*CP*AP*CP*(5CM)P*GP*GP*TP*GP*GP*C)-3'), LOC100036628 protein, ZINC ION
Authors:Chao, X, Tempel, W, Bian, C, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2012-10-23
Release date:2012-12-05
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Tet3 CXXC Domain and Dioxygenase Activity Cooperatively Regulate Key Genes for Xenopus Eye and Neural Development.
Cell(Cambridge,Mass.), 151, 2012
7CR6
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BU of 7cr6 by Molmil
Synechocystis Cas1-Cas2/prespacer binary complex
Descriptor: CRISPR-associated endonuclease Cas1, CRISPR-associated endoribonuclease Cas2 1, DNA (36-MER)
Authors:Yu, Y, Chen, Q.
Deposit date:2020-08-12
Release date:2021-03-31
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.72 Å)
Cite:Mechanisms of spacer acquisition by sequential assembly of the adaptation module in Synechocystis.
Nucleic Acids Res., 49, 2021
7CR8
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BU of 7cr8 by Molmil
Synechocystis Cas1-Cas2-prespacerL complex
Descriptor: CRISPR-associated endonuclease Cas1, CRISPR-associated endoribonuclease Cas2 1, DNA (36-MER)
Authors:Yu, Y, Chen, Q.
Deposit date:2020-08-12
Release date:2021-03-31
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.7 Å)
Cite:Mechanisms of spacer acquisition by sequential assembly of the adaptation module in Synechocystis.
Nucleic Acids Res., 49, 2021
7C7F
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BU of 7c7f by Molmil
Crystal structures of AKR1C3 binary complex with NADP+
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, Aldo-keto reductase family 1 member C3, ...
Authors:Irie, K, Toyooka, N, Endo, S.
Deposit date:2020-05-25
Release date:2020-09-23
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Development of Novel AKR1C3 Inhibitors as New Potential Treatment for Castration-Resistant Prostate Cancer.
J.Med.Chem., 63, 2020
8KB1
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BU of 8kb1 by Molmil
Crystal structure of 11JD
Descriptor: Beta2-microglobulin, MHC class I antigen, peptide of AIV
Authors:Tang, Z, Zhang, N.
Deposit date:2023-08-03
Release date:2024-05-29
Method:X-RAY DIFFRACTION (2.46 Å)
Cite:The impact of micropolymorphism in Anpl-UAA on structural stability and peptide presentation.
Int.J.Biol.Macromol., 267, 2024
8KB0
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BU of 8kb0 by Molmil
Crystal structure of 01JD-AEAIIVAMV
Descriptor: Beta2-microglobulin, MHC class I antigen alpha chain, peptide of AIV
Authors:Tang, Z, Zhang, N.
Deposit date:2023-08-03
Release date:2024-05-29
Method:X-RAY DIFFRACTION (2.48 Å)
Cite:The impact of micropolymorphism in Anpl-UAA on structural stability and peptide presentation.
Int.J.Biol.Macromol., 267, 2024
7C7G
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BU of 7c7g by Molmil
Crystal structures of AKR1C3 ternary complex with NADP+ and the chromene derivative 2j
Descriptor: 2-azanylidene-N-(4-methylphenyl)-8-oxidanyl-chromene-3-carboxamide, Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Irie, K, Toyooka, N, Endo, S.
Deposit date:2020-05-25
Release date:2020-09-23
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Development of Novel AKR1C3 Inhibitors as New Potential Treatment for Castration-Resistant Prostate Cancer.
J.Med.Chem., 63, 2020

 

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数据于2024-07-17公开中

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