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8GEN
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BU of 8gen by Molmil
E. eligens beta-glucuronidase bound to UNC10201652-glucuronide
Descriptor: 8-(4-beta-D-glucopyranuronosylpiperazin-1-yl)-5-(morpholin-4-yl)-1,2,3,4-tetrahydro[1,2,3]triazino[4',5':4,5]thieno[2,3 -c]isoquinoline, Beta-glucuronidase
Authors:Simpson, J.B, Redinbo, M.R.
Deposit date:2023-03-07
Release date:2024-02-14
Method:X-RAY DIFFRACTION (2.94 Å)
Cite:Diverse Human Therapeutics Impact Hormone and Neurotransmitter Homeostasis by Inhibiting Gut Microbial Enzymes
To Be Published
8GLY
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BU of 8gly by Molmil
Crystal structure of T252E-CYP199A4 in complex with 4-hydroxybenzoic acid
Descriptor: CHLORIDE ION, Cytochrome P450, P-HYDROXYBENZOIC ACID, ...
Authors:Lee, J.H.Z, Bruning, J.B, Bell, S.G.
Deposit date:2023-03-23
Release date:2024-02-07
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:An In Crystallo Reaction with an Engineered Cytochrome P450 Peroxygenase.
Chemistry, 30, 2024
6VJX
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BU of 6vjx by Molmil
The crystal structure of 4-isobutylbenzoic acid-bound CYP199A4
Descriptor: 4-(2-methylpropyl)benzoic acid, CHLORIDE ION, Cytochrome P450, ...
Authors:Doherty, Z.D, Bell, S.G, Bruning, J.
Deposit date:2020-01-18
Release date:2021-01-20
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.788 Å)
Cite:The crystal structure of 4-isobutylbenzoic acid-bound CYP199A4
To Be Published
8GEQ
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BU of 8geq by Molmil
E. eligens beta-glucuronidase bound to ceritinib-glucuronide
Descriptor: 4-amino-5-chloro-2-{4-(1-beta-D-glucopyranuronosylpiperidin-4-yl)-5-methyl-2-[(propan-2-yl)oxy]anilino}pyrimidine, Beta-glucuronidase
Authors:Simpson, J.B, Kowalewski, M.K, Redinbo, M.R.
Deposit date:2023-03-07
Release date:2024-02-14
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Diverse Human Therapeutics Impact Hormone and Neurotransmitter Homeostasis by Inhibiting Gut Microbial Enzymes
To Be Published
6VK5
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BU of 6vk5 by Molmil
Crystal Structure of Methylosinus trichosporium OB3b Soluble Methane Monooxygenase Hydroxylase and Regulatory Component Complex
Descriptor: 1,2-ETHANEDIOL, BENZOIC ACID, CHLORIDE ION, ...
Authors:Jones, J.C, Banerjee, R, Shi, K, Aihara, H, Lipscomb, J.D.
Deposit date:2020-01-18
Release date:2020-08-05
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Structural Studies of theMethylosinus trichosporiumOB3b Soluble Methane Monooxygenase Hydroxylase and Regulatory Component Complex Reveal a Transient Substrate Tunnel.
Biochemistry, 59, 2020
1FR8
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BU of 1fr8 by Molmil
CRYSTAL STRUCTURE OF THE BOVINE BETA 1,4 GALACTOSYLTRANSFERASE (B4GALT1) CATALYTIC DOMAIN COMPLEXED WITH URIDINE DIPHOSPHOGALACTOSE
Descriptor: BETA 1,4 GALACTOSYLTRANSFERASE, GALACTOSE-URIDINE-5'-DIPHOSPHATE
Authors:Gastinel, L.N, Cambillau, C, Bourne, Y.
Deposit date:2000-09-07
Release date:2000-09-20
Last modified:2021-07-21
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structures of the bovine beta4galactosyltransferase catalytic domain and its complex with uridine diphosphogalactose.
EMBO J., 18, 1999
8GM1
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BU of 8gm1 by Molmil
Crystal structure of T252E-CYP199A4 in complex with 4-methoxybenzoic acid soaked with 1 mM hydrogen peroxide
Descriptor: 4-METHOXYBENZOIC ACID, CHLORIDE ION, Cytochrome P450, ...
Authors:Lee, J.H.Z, Bruning, J.B, Bell, S.G.
Deposit date:2023-03-24
Release date:2024-02-07
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:An In Crystallo Reaction with an Engineered Cytochrome P450 Peroxygenase.
Chemistry, 30, 2024
6VTV
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BU of 6vtv by Molmil
Crystal structure of PuuD gamma-glutamyl-gamma-aminobutyrate hydrolase from E. coli
Descriptor: Gamma-glutamyl-gamma-aminobutyrate hydrolase PuuD, MANGANESE (II) ION
Authors:Stogios, P.J, EVDOKIMOVA, E, DI LEO, R, SAVCHENKO, A, JOACHIMIAK, A, SATCHELL, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2020-02-13
Release date:2020-02-26
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:PuuD gamma-glutamyl-gamma-aminobutyrate hydrolase
To Be Published
8GES
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BU of 8ges by Molmil
R. hominis 2 beta-glucuronidase bound to UNC10201652-glucuronide
Descriptor: 8-(4-beta-D-glucopyranuronosylpiperazin-1-yl)-5-(morpholin-4-yl)-1,2,3,4-tetrahydro[1,2,3]triazino[4',5':4,5]thieno[2,3 -c]isoquinoline, FLAVIN MONONUCLEOTIDE, GLYCEROL, ...
Authors:Simpson, J.B, Redinbo, M.R.
Deposit date:2023-03-07
Release date:2024-02-14
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Diverse Human Therapeutics Impact Hormone and Neurotransmitter Homeostasis by Inhibiting Gut Microbial Enzymes
To Be Published
4NPE
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BU of 4npe by Molmil
High-resolution structure of C domain of staphylococcal protein A at room temperature
Descriptor: Immunoglobulin G-binding protein A, THIOCYANATE ION, ZINC ION
Authors:Deis, L.N, Pemble IV, C.W, Oas, T.G, Richardson, J.S, Richardson, D.C.
Deposit date:2013-11-21
Release date:2014-10-08
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Multiscale conformational heterogeneity in staphylococcal protein a: possible determinant of functional plasticity.
Structure, 22, 2014
4R8I
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BU of 4r8i by Molmil
High Resolution Structure of a Mirror-Image RNA Oligonucleotide Aptamer in Complex with the Chemokine CCL2
Descriptor: C-C motif chemokine 2, Mirror-Image RNA Oligonucleotide Aptamer NOXE36, POTASSIUM ION, ...
Authors:Oberthuer, D, Achenbach, J, Gabdulkhakov, A, Falke, S, Buchner, K, Maasch, C, Rehders, D, Klussmann, S, Betzel, C.
Deposit date:2014-09-02
Release date:2015-04-29
Last modified:2015-05-06
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Crystal structure of a mirror-image L-RNA aptamer (Spiegelmer) in complex with the natural L-protein target CCL2.
Nat Commun, 6, 2015
5CKT
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BU of 5ckt by Molmil
Crystal Structure of KorA, a plasmid-encoded, global transcription regulator
Descriptor: ACETATE ION, TrfB transcriptional repressor protein
Authors:White, S.A, Hyde, E.I, Lovering, A.L.
Deposit date:2015-07-15
Release date:2016-04-06
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:Flexibility of KorA, a plasmid-encoded, global transcription regulator, in the presence and the absence of its operator.
Nucleic Acids Res., 44, 2016
5CL9
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BU of 5cl9 by Molmil
Alkylpurine DNA glycosylase AlkD bound to DNA containing an abasic site and a free nucleobase (100% product at 240 hours)
Descriptor: 7-methyl-3H-imidazo[4,5-c]pyridin-4-amine, AlkD, DNA (5'-D(*CP*CP*CP*GP*AP*(ORP)P*AP*GP*TP*CP*CP*G)-3'), ...
Authors:Mullins, E.A, Eichman, B.F.
Deposit date:2015-07-16
Release date:2015-10-28
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.538 Å)
Cite:The DNA glycosylase AlkD uses a non-base-flipping mechanism to excise bulky lesions.
Nature, 527, 2015
6VSH
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BU of 6vsh by Molmil
Crystal structure of apo Dicamba Monooxygenase
Descriptor: Dicamba O-demethylase, oxygenase component, FE2/S2 (INORGANIC) CLUSTER
Authors:Rydel, T.J.
Deposit date:2020-02-11
Release date:2020-02-26
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3 Å)
Cite:Dicamba monooxygenase: structural insights into a dynamic Rieske oxygenase that catalyzes an exocyclic monooxygenation.
J. Mol. Biol., 392, 2009
8KA5
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BU of 8ka5 by Molmil
Arabidopsis AP endonuclease ARP complex with 20bp THF-containing DNA
Descriptor: 1',2'-DIDEOXYRIBOFURANOSE-5'-PHOSPHATE, DNA (43-MER), DNA-(apurinic or apyrimidinic site) endonuclease, ...
Authors:Guo, W.T, Wu, B.X.
Deposit date:2023-08-02
Release date:2024-02-21
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural insights into the catalytic mechanism of the AP endonuclease AtARP.
Structure, 32, 2024
8KA3
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BU of 8ka3 by Molmil
Arabidopsis AP endonuclease ARP complex with 22bp THF-containing DNA
Descriptor: 1',2'-DIDEOXYRIBOFURANOSE-5'-PHOSPHATE, DNA (43-MER), DNA-(apurinic or apyrimidinic site) endonuclease, ...
Authors:Guo, W.T, Wu, B.X.
Deposit date:2023-08-02
Release date:2024-02-21
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structural insights into the catalytic mechanism of the AP endonuclease AtARP.
Structure, 32, 2024
1XO1
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BU of 1xo1 by Molmil
T5 5'-EXONUCLEASE MUTANT K83A
Descriptor: 5'-EXONUCLEASE
Authors:Ceska, T.A, Suck, D, Sayers, J.R.
Deposit date:1998-11-19
Release date:1999-04-02
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Mutagenesis of conserved lysine residues in bacteriophage T5 5'-3' exonuclease suggests separate mechanisms of endo-and exonucleolytic cleavage.
Proc.Natl.Acad.Sci.USA, 96, 1999
4YL6
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BU of 4yl6 by Molmil
Crystal structure of truncated cerebral cavernous malformation 2 C-terminal adaptor domain in complex with an internal helix of mitogen-activated protein kinase kinase kinase 3
Descriptor: Malcavernin, Mitogen-activated protein kinase kinase kinase 3
Authors:Ding, J, Wang, X, Wang, D.C.
Deposit date:2015-03-05
Release date:2015-06-03
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural Insights into the Molecular Recognition between Cerebral Cavernous Malformation 2 and Mitogen-Activated Protein Kinase Kinase Kinase 3
Structure, 23, 2015
6VNU
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BU of 6vnu by Molmil
X-ray Crystal Structure of Ruthenocenyl-7-Aminocephalosporanic Acid Covalent Acyl-Enzyme Complex with CTX-M-14 E166A Beta-Lactamase
Descriptor: Beta-lactamase, POTASSIUM ION, [(1,2,3,4,5-eta)-1-(4-{[carboxy(4-carboxy-5-methylidene-5,6-dihydro-2H-1,3-thiazin-2-yl)methyl]amino}-4-oxobutanoyl)cyclopentadienyl][(1,2,3,4,5-eta)-cyclopentadienyl]ruthenium, ...
Authors:Lewandowski, E.M, Jacobs, L.M.C, Chen, Y.
Deposit date:2020-01-29
Release date:2020-04-01
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Metallocenyl 7-ACA Conjugates: Antibacterial Activity Studies and Atomic-Resolution X-ray Crystal Structure with CTX-M beta-Lactamase.
Chembiochem, 21, 2020
8GET
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BU of 8get by Molmil
R. hominis 2 beta-glucuronidase bound to norquetiapine-glucuronide
Descriptor: 11-(4-beta-D-glucopyranuronosylpiperazin-1-yl)dibenzo[b,f][1,4]thiazepine, FLAVIN MONONUCLEOTIDE, GLYCEROL, ...
Authors:Simpson, J.B, Redinbo, M.R.
Deposit date:2023-03-07
Release date:2024-03-20
Last modified:2024-06-26
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Gut microbial beta-glucuronidases influence endobiotic homeostasis and are modulated by diverse therapeutics.
Cell Host Microbe, 32, 2024
8OJ8
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BU of 8oj8 by Molmil
60S ribosomal subunit bound to the E3-UFM1 complex - state 1 (native)
Descriptor: 28S rRNA, 5.8S rRNA, 5S rRNA, ...
Authors:Penchev, I, DaRosa, P.A, Becker, T, Beckmann, R, Kopito, R.
Deposit date:2023-03-24
Release date:2024-02-21
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:UFM1 E3 ligase promotes recycling of 60S ribosomal subunits from the ER.
Nature, 627, 2024
6CAY
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BU of 6cay by Molmil
Crystal structure of the first StART-like domain of Ysp2p/Lam2p in its apo and ergosterol-bound state.
Descriptor: ERGOSTEROL, Sterol-binding protein
Authors:Horenkamp, F.A, Valverde, D.P, Reinisch, K.M.
Deposit date:2018-02-01
Release date:2018-02-28
Last modified:2020-01-01
Method:X-RAY DIFFRACTION (2 Å)
Cite:Molecular basis for sterol transport by StART-like lipid transfer domains.
EMBO J., 37, 2018
1XRF
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BU of 1xrf by Molmil
The Crystal Structure of a Novel, Latent Dihydroorotase from Aquifex aeolicus at 1.7 A resolution
Descriptor: Dihydroorotase, SULFATE ION, ZINC ION
Authors:Martin, P.D, Purcarea, C, Zhang, P, Vaishnav, A, Sadecki, S, Guy-Evans, H.I, Evans, D.R, Edwards, B.F.
Deposit date:2004-10-14
Release date:2005-07-05
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:The crystal structure of a novel, latent dihydroorotase from Aquifex aeolicus at 1.7A resolution
J.Mol.Biol., 348, 2005
1F3Z
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BU of 1f3z by Molmil
IIAGLC-ZN COMPLEX
Descriptor: GLUCOSE-SPECIFIC PHOSPHOCARRIER, ZINC ION
Authors:Feese, M, Comolli, L, Meadow, N, Roseman, S, Remington, S.J.
Deposit date:1997-10-09
Release date:1998-01-28
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Structural studies of the Escherichia coli signal transducing protein IIAGlc: implications for target recognition.
Biochemistry, 36, 1997
4MFZ
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BU of 4mfz by Molmil
The crystal structure of acyltransferase in complex with decanoyl-CoA
Descriptor: Dbv8 protein, SODIUM ION, SULFATE ION, ...
Authors:Lyu, S.Y, Liu, Y.C, Chang, C.Y, Huang, C.J, Li, T.L.
Deposit date:2013-08-28
Release date:2014-09-03
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Multiple complexes of long aliphatic N-acyltransferases lead to synthesis of 2,6-diacylated/2-acyl-substituted glycopeptide antibiotics, effectively killing vancomycin-resistant enterococcus
J.Am.Chem.Soc., 136, 2014

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数据于2024-07-17公开中

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