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6PUE
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BU of 6pue by Molmil
Structure of human MAIT A-F7 TCR in complex with human MR1-4'D-5-OP-RU
Descriptor: 1,4-dideoxy-1-({2,6-dioxo-5-[(E)-(2-oxopropylidene)amino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-D-erythro-pentitol, Beta-2-microglobulin, GLYCEROL, ...
Authors:Awad, W, Rossjohn, J.
Deposit date:2019-07-18
Release date:2020-02-19
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The molecular basis underpinning the potency and specificity of MAIT cell antigens.
Nat.Immunol., 21, 2020
5KR5
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BU of 5kr5 by Molmil
Directed Evolution of Transaminases By Ancestral Reconstruction. Using Old Proteins for New Chemistries
Descriptor: 4-aminobutyrate transaminase, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Wilding, M, Newman, J, Peat, T.S, Scott, C.
Deposit date:2016-07-07
Release date:2017-07-12
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Reverse engineering: transaminase biocatalyst development using ancestral sequence reconstruction
Green Chemistry, 19, 2017
8PFD
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BU of 8pfd by Molmil
Crystal structure of binary complex between Aster yellows witches'-broom phytoplasma effector SAP05 and the von Willebrand Factor Type A domain of the proteasomal ubiquitin receptor Rpn10 from Arabidopsis thaliana
Descriptor: 26S proteasome non-ATPase regulatory subunit 4 homolog, Sequence-variable mosaic (SVM) signal sequence domain-containing protein
Authors:Huang, W, Liu, Q, Maqbool, A, Stevenson, C.E.M, Lawson, D.M, Kamoun, S, Hogenhout, S.A.
Deposit date:2023-06-15
Release date:2023-07-05
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.17 Å)
Cite:Bimodular architecture of bacterial effector SAP05 that drives ubiquitin-independent targeted protein degradation.
Proc.Natl.Acad.Sci.USA, 120, 2023
6PUQ
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BU of 6puq by Molmil
1.56 A crystal structure of flavodoxin-like domain of Schizosaccharomyces japonicus putative tRNAPhe 4-demethylwyosine synthase Tyw1 in complex with FMN
Descriptor: ACETATE ION, DI(HYDROXYETHYL)ETHER, FLAVIN MONONUCLEOTIDE, ...
Authors:Sjekloca, L, Ferre-D'Amare, A.R.
Deposit date:2019-07-18
Release date:2020-07-22
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:Biochemical and structural characterization of the flavodoxin-like domain of the Schizosaccharomyces japonicus putative tRNAPhe 4-demethylwyosine synthase Tyw1 in complex with FMN.
MicroPubl Biol, 2022, 2022
6G63
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BU of 6g63 by Molmil
RNase E in complex with sRNA RrpA
Descriptor: RNA (5'-R(P*AP*AP*AP*AP*AP*AP*AP*AP*AP*AP*AP*AP*UP*UP*UP*UP*UP*UP*UP*UP*UP*UP*U)-3'), Ribonuclease E, URIDINE-5'-MONOPHOSPHATE, ...
Authors:Bandyra, K.B, Luisi, B.F.
Deposit date:2018-03-31
Release date:2018-10-03
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (3.95 Å)
Cite:Substrate Recognition and Autoinhibition in the Central Ribonuclease RNase E.
Mol. Cell, 72, 2018
6Y01
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BU of 6y01 by Molmil
The structure of the molybdenum cofactor binding protein from the phototrophic bacterium Rippkaea orientalis
Descriptor: CHLORIDE ION, IMIDAZOLE, p450 cytochrome, ...
Authors:Krausze, J.
Deposit date:2020-02-05
Release date:2020-09-16
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.23 Å)
Cite:The structure of the Moco carrier protein from Rippkaea orientalis.
Acta Crystallogr.,Sect.F, 76, 2020
5W4P
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BU of 5w4p by Molmil
Structure of the E28A mutant of the HIV-1 capsid protein
Descriptor: CHLORIDE ION, Capsid protein p24, IODIDE ION
Authors:Gres, A.T, Kirby, K.A, Sarafianos, S.G.
Deposit date:2017-06-12
Release date:2018-06-20
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:Novel Intersubunit Interaction Critical for HIV-1 Core Assembly Defines a Potentially Targetable Inhibitor Binding Pocket.
MBio, 10, 2019
8PM1
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BU of 8pm1 by Molmil
Structure of Chloroflexus aggregans flavin based fluorescent protein (CagFbFP) variant I52V A85Q
Descriptor: FLAVIN MONONUCLEOTIDE, histidine kinase
Authors:Nikolaev, A, Remeeva, A, Gushchin, I.
Deposit date:2023-06-27
Release date:2023-07-05
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Two distinct mechanisms of flavoprotein spectral tuning revealed by low-temperature and time-dependent spectroscopy.
Protein Sci., 33, 2024
6Q26
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BU of 6q26 by Molmil
N-Acetylmannosamine kinase from Staphylococcus aureus
Descriptor: Glucokinase
Authors:Coombes, D, North, R.A, Dobson, R.C.J.
Deposit date:2019-08-07
Release date:2020-01-22
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.328 Å)
Cite:The basis for non-canonical ROK family function in theN-acetylmannosamine kinase from the pathogenStaphylococcus aureus.
J.Biol.Chem., 295, 2020
5L6F
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BU of 5l6f by Molmil
Xylooligosaccharide oxidase from Myceliophthora thermophila C1 in complex with Xylobiose
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, DI(HYDROXYETHYL)ETHER, ...
Authors:Rozeboom, H.J, Ferrari, A.R, Fraaije, M.W.
Deposit date:2016-05-30
Release date:2016-09-21
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Discovery of a Xylooligosaccharide Oxidase from Myceliophthora thermophila C1.
J.Biol.Chem., 291, 2016
5L6N
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BU of 5l6n by Molmil
Disulfated madanin-thrombin complex
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Prothrombin, SODIUM ION, ...
Authors:Ripoll-Rozada, J, Pereira, P.J.B.
Deposit date:2016-05-30
Release date:2017-03-29
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.627 Å)
Cite:Tyrosine sulfation modulates activity of tick-derived thrombin inhibitors.
Nat Chem, 9, 2017
6Y1J
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BU of 6y1j by Molmil
14-3-3 sigma in complex with IkappaBalpha pS63 peptide
Descriptor: 14-3-3 protein sigma, CALCIUM ION, CHLORIDE ION, ...
Authors:Wolter, M, Ottmann, C.
Deposit date:2020-02-12
Release date:2020-03-04
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.127 Å)
Cite:Interaction of an I kappa B alpha Peptide with 14-3-3.
Acs Omega, 5, 2020
5E9C
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BU of 5e9c by Molmil
Crystal structure of human heparanase in complex with heparin tetrasaccharide dp4
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-deoxy-2-O-sulfo-alpha-L-threo-hex-4-enopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-beta-D-glucopyranose, CHLORIDE ION, ...
Authors:Wu, L, Davies, G.J.
Deposit date:2015-10-15
Release date:2015-11-18
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Structural characterization of human heparanase reveals insights into substrate recognition.
Nat.Struct.Mol.Biol., 22, 2015
6G9N
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BU of 6g9n by Molmil
Fragment-based discovery of a highly potent, orally bioavailable inhibitor which modulates the phosphorylation and catalytic activity of ERK1/2
Descriptor: (2~{R})-2-[5-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-3-oxidanylidene-1~{H}-isoindol-2-yl]-~{N}-[(1~{S})-1-(3-methylphenyl)-2-oxidanyl-ethyl]propanamide, Mitogen-activated protein kinase 1, SULFATE ION
Authors:O'Reilly, M.
Deposit date:2018-04-11
Release date:2018-05-30
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Fragment-Based Discovery of a Potent, Orally Bioavailable Inhibitor That Modulates the Phosphorylation and Catalytic Activity of ERK1/2.
J. Med. Chem., 61, 2018
7DB1
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BU of 7db1 by Molmil
Crystal structure of Drosophila melanogaster Noppera-bo, glutathione S-transferase epsilon 14 (DmGSTE14), in dimedone- and glutathione-bound form
Descriptor: 5,5-DIMETHYLCYCLOHEXANE-1,3-DIONE, DIMETHYL SULFOXIDE, GLUTATHIONE, ...
Authors:Koiwai, K, Inaba, K, Yumoto, F, Senda, T, Niwa, R.
Deposit date:2020-10-18
Release date:2021-02-10
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Non-steroidal inhibitors of Drosophila melanogaster steroidogenic glutathione S -transferase Noppera-bo
J Pestic Sci, 46, 2021
5L6P
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BU of 5l6p by Molmil
EphB3 kinase domain covalently bound to an irreversible inhibitor (compound 6)
Descriptor: 1,4-DIETHYLENE DIOXIDE, Ephrin type-B receptor 3, ~{N}-(4-phenylazanylquinazolin-7-yl)ethanamide
Authors:Schimpl, M, Overman, R, Kung, A, Chen, Y.-C, Ni, F, Zhu, J, Turner, M, Molina, H, Zhang, C.
Deposit date:2016-05-30
Release date:2016-08-10
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Development of Specific, Irreversible Inhibitors for a Receptor Tyrosine Kinase EphB3.
J.Am.Chem.Soc., 138, 2016
6PVC
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BU of 6pvc by Molmil
Structure of human MAIT A-F7 TCR in complex with human MR1-DB28
Descriptor: ACETATE ION, Beta-2-microglobulin, GLYCEROL, ...
Authors:Awad, W, Rossjohn, J.
Deposit date:2019-07-20
Release date:2020-04-01
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Ligand-dependent downregulation of MR1 cell surface expression.
Proc.Natl.Acad.Sci.USA, 117, 2020
5I3F
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BU of 5i3f by Molmil
Structure-Function Studies on Role of Hydrophobic Clamping of a Basic Glutamate in Catalysis by Triosephosphate Isomerase
Descriptor: Triosephosphate isomerase, glycosomal
Authors:Drake, E.J, Gulick, A.M, Richard, J.P, Zhai, X, Kim, K, Reinhardt, C.J.
Deposit date:2016-02-10
Release date:2016-05-18
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Structure-Function Studies of Hydrophobic Residues That Clamp a Basic Glutamate Side Chain during Catalysis by Triosephosphate Isomerase.
Biochemistry, 55, 2016
7D4C
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BU of 7d4c by Molmil
Structure of L-lysine oxidase precursor
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, L-Lysine alpha-oxidase, PHOSPHATE ION
Authors:Ito, N, Kitagawa, M, Matsumoto, Y, Inagaki, K, Imada, K.
Deposit date:2020-09-23
Release date:2021-02-10
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Structural basis of enzyme activity regulation by the propeptide of l-lysine alpha-oxidase precursor from Trichoderma viride .
J Struct Biol X, 5, 2021
6MO6
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BU of 6mo6 by Molmil
Crystal structure of the selenomethionine-substituted human sulfide:quinone oxidoreductase
Descriptor: CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, Sulfide:quinone oxidoreductase, ...
Authors:Jackson, M.R, Jorns, M.S, Loll, P.J.
Deposit date:2018-10-04
Release date:2019-04-10
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.59 Å)
Cite:X-Ray Structure of Human Sulfide:Quinone Oxidoreductase: Insights into the Mechanism of Mitochondrial Hydrogen Sulfide Oxidation.
Structure, 27, 2019
6Y22
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BU of 6y22 by Molmil
RING-DTC domains of Deltex 2, Form 1
Descriptor: Probable E3 ubiquitin-protein ligase DTX2, ZINC ION
Authors:Gabrielssen, M, Buetow, L, Huang, D.T.
Deposit date:2020-02-14
Release date:2020-09-02
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2.069 Å)
Cite:DELTEX2 C-terminal domain recognizes and recruits ADP-ribosylated proteins for ubiquitination.
Sci Adv, 6, 2020
6PS9
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BU of 6ps9 by Molmil
Crystal structure of BRD4 bromodomain 1 with N-methylpyrrolidin-2-one (NMP) derivative 17 (5-{2-[(3R)-1-methyl-5-oxopyrrolidin-3-yl]ethyl}-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indol-1-one)
Descriptor: 5-{2-[(3R)-1-methyl-5-oxopyrrolidin-3-yl]ethyl}-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indol-1-one, Bromodomain-containing protein 4
Authors:Ilyichova, O.V, Scanlon, M.J.
Deposit date:2019-07-12
Release date:2019-11-27
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.21 Å)
Cite:Synthesis and elaboration of N-methylpyrrolidone as an acetamide fragment substitute in bromodomain inhibition.
Bioorg.Med.Chem., 27, 2019
7DMB
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BU of 7dmb by Molmil
Crystal structure of trans-methyltransferase CalH complex with SAH
Descriptor: Putative methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE
Authors:Tao, H, Mori, T, Abe, I.
Deposit date:2020-12-03
Release date:2021-02-10
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:One Polyketide Synthase, Two Distinct Products: Trans-Acting Enzyme-Controlled Product Divergence in Calbistrin Biosynthesis.
Angew.Chem.Int.Ed.Engl., 60, 2021
8P91
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BU of 8p91 by Molmil
Hfq from Chromobacterium haemolyticum; a P6 space group monomer
Descriptor: RNA-binding protein Hfq
Authors:Nikulin, A.D, Lekontseva, N.V.
Deposit date:2023-06-05
Release date:2023-07-26
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Hfq from Chromobacterium haemolyticum
Crystallography Reports
5KT1
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BU of 5kt1 by Molmil
The crystal structure of 4-methylthiobenzoate-bound CYP199A4
Descriptor: 4-methylsulfanylbenzoic acid, CHLORIDE ION, Cytochrome P450, ...
Authors:Coleman, T, Bruning, J.B, Bell, S.G.
Deposit date:2016-07-11
Release date:2018-01-17
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.015 Å)
Cite:The crystal structure of 4-methylthiobenzoate-bound CYP199A4
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数据于2024-11-06公开中

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