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4Y9I
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BU of 4y9i by Molmil
Structure of F420-H2 Dependent Reductase (FDR-A) msmeg_2027
Descriptor: Mycobacterium tuberculosis paralogous family 11, PHOSPHATE ION
Authors:Ahmed, F.H, Carr, P.D, Jackson, C.J.
Deposit date:2015-02-17
Release date:2015-10-21
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.498 Å)
Cite:Sequence-Structure-Function Classification of a Catalytically Diverse Oxidoreductase Superfamily in Mycobacteria.
J.Mol.Biol., 427, 2015
5ZSL
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BU of 5zsl by Molmil
Crystal structure of monkey TLR7 in complex with GGUUGG
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-amino-9-[(2S,3aR,4R,6R,6aR)-2-hydroxy-6-(hydroxymethyl)-2-oxotetrahydro-2H-2lambda~5~-furo[3,4-d][1,3,2]dioxaphosphol-4-yl]-3,9-dihydro-6H-purin-6-one, ...
Authors:Zhang, Z, Ohto, U, Shimizu, T.
Deposit date:2018-04-28
Release date:2019-01-30
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural Analyses of Toll-like Receptor 7 Reveal Detailed RNA Sequence Specificity and Recognition Mechanism of Agonistic Ligands.
Cell Rep, 25, 2018
5ZSH
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BU of 5zsh by Molmil
Crystal structure of monkey TLR7 in complex with CL075
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-propyl[1,3]thiazolo[4,5-c]quinolin-4-amine, ...
Authors:Zhang, Z, Ohto, U, Shimizu, T.
Deposit date:2018-04-28
Release date:2019-01-30
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural Analyses of Toll-like Receptor 7 Reveal Detailed RNA Sequence Specificity and Recognition Mechanism of Agonistic Ligands.
Cell Rep, 25, 2018
5ZSX
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BU of 5zsx by Molmil
Catechol 2,3-dioxygenase with 3-fluorocatechol from Diaphorobacter sp DS2
Descriptor: 1,2-ETHANEDIOL, 3-FLUOROBENZENE-1,2-DIOL, CALCIUM ION, ...
Authors:Mishra, K, Arya, C.K, Subramanian, R, Ramanathan, G.
Deposit date:2018-04-30
Release date:2019-06-12
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Catechol 2,3-dioxygenase with 3-fluorocatechol from Diaphorobacter sp DS2.
To Be Published
5WCJ
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BU of 5wcj by Molmil
Crystal Structure of Human Methyltransferase-like protein 13 in complex with SAH
Descriptor: Methyltransferase-like protein 13, S-ADENOSYL-L-HOMOCYSTEINE, UNKNOWN ATOM OR ION
Authors:Halabelian, L, Loppnau, P, Seitova, A, Hutchinson, A, Hunt, B, Dong, A, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Structural Genomics Consortium (SGC)
Deposit date:2017-06-30
Release date:2017-07-19
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The dual methyltransferase METTL13 targets N terminus and Lys55 of eEF1A and modulates codon-specific translation rates.
Nat Commun, 9, 2018
5W80
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BU of 5w80 by Molmil
Toxoplasma Gondii CDPK1 in complex with inhibitor GXJ-237
Descriptor: 3-(3-chlorophenoxy)-1-[(piperidin-4-yl)methyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine, CALCIUM ION, Calmodulin-domain protein kinase 1
Authors:El Bakkouri, M, Lovato, D, Loppnau, P, Lin, Y.H, Rutaganaria, F, Lopez, M.S, Shokat, L, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Sibley, D, Walker, J.R, Structural Genomics Consortium (SGC)
Deposit date:2017-06-21
Release date:2017-07-19
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2 Å)
Cite:Toxoplasma Gondii CDPK1 in complex with inhibitor GXJ-237
To be published
5W8M
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BU of 5w8m by Molmil
Crystal structure of Chaetomium thermophilum Vps29
Descriptor: GLYCEROL, TRIETHYLENE GLYCOL, Vacuolar protein sorting-associated protein 29
Authors:Collins, B.M, Leneva, N.
Deposit date:2017-06-21
Release date:2018-06-13
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:Structure of the membrane-assembled retromer coat determined by cryo-electron tomography.
Nature, 561, 2018
5WDQ
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BU of 5wdq by Molmil
H-Ras mutant L120A bound to GMP-PNP at 100K
Descriptor: ACETATE ION, CALCIUM ION, GTPase HRas, ...
Authors:Bandaru, P, Gee, C.L, Kuriyan, J.
Deposit date:2017-07-05
Release date:2017-07-19
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Deconstruction of the Ras switching cycle through saturation mutagenesis.
Elife, 6, 2017
4YWS
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BU of 4yws by Molmil
Thermostable enolase from Chloroflexus aurantiacus
Descriptor: Enolase, MAGNESIUM ION
Authors:Zadvornyy, O.A, Peters, J.W.
Deposit date:2015-03-20
Release date:2015-07-01
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Biochemical and Structural Characterization of Enolase from Chloroflexus aurantiacus: Evidence for a Thermophilic Origin.
Front Bioeng Biotechnol, 3, 2015
5WBD
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BU of 5wbd by Molmil
Peroxide Activation Regulated by Hydrogen Bonds within Artificial Cu Proteins - N49A
Descriptor: ACETATE ION, Streptavidin, [N-(2-{bis[2-(pyridin-2-yl-kappaN)ethyl]amino-kappaN}ethyl)-5-(2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanamide](hydroxy)copper
Authors:Mann, S.I, Heinisch, T, Ward, T.R, Borovik, A.S.
Deposit date:2017-06-28
Release date:2017-11-22
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Peroxide Activation Regulated by Hydrogen Bonds within Artificial Cu Proteins.
J. Am. Chem. Soc., 139, 2017
5WGV
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BU of 5wgv by Molmil
Crystal Structure of MalA' C112S/C128S, premalbrancheamide complex
Descriptor: (5aS,12aS,13aS)-12,12-dimethyl-2,3,11,12,12a,13-hexahydro-1H,5H,6H-5a,13a-(epiminomethano)indolizino[7,6-b]carbazol-14-one, CADMIUM ION, CHLORIDE ION, ...
Authors:Fraley, A.E, Smith, J.L.
Deposit date:2017-07-14
Release date:2017-08-16
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Function and Structure of MalA/MalA', Iterative Halogenases for Late-Stage C-H Functionalization of Indole Alkaloids.
J. Am. Chem. Soc., 139, 2017
4YXW
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BU of 4yxw by Molmil
Bovine heart mitochondrial F1-ATPase inhibited by AMP-PNP and ADP in the presence of thiophosphate.
Descriptor: ATP synthase subunit alpha, mitochondrial, ATP synthase subunit beta, ...
Authors:Bason, J.V, Montgomery, M.G, Leslie, A.G.W, Walker, J.E.
Deposit date:2015-03-23
Release date:2015-05-06
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:How release of phosphate from mammalian F1-ATPase generates a rotary substep.
Proc.Natl.Acad.Sci.USA, 112, 2015
5WD7
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BU of 5wd7 by Molmil
Structure of a bacterial polysialyltransferase in complex with fondaparinux
Descriptor: 2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-beta-D-glucopyranuronic acid-(1-4)-2-deoxy-3,6-di-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-methyl 2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranoside, SULFATE ION, SiaD
Authors:Worrall, L.J, Lizak, C, Strynadka, N.C.J.
Deposit date:2017-07-04
Release date:2017-08-02
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:X-ray crystallographic structure of a bacterial polysialyltransferase provides insight into the biosynthesis of capsular polysialic acid.
Sci Rep, 7, 2017
4Z0O
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BU of 4z0o by Molmil
CW-type zinc finger of ZCWPW2 with F78D mutation
Descriptor: SODIUM ION, UNKNOWN ATOM OR ION, ZINC ION, ...
Authors:Liu, Y, Tempel, W, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2015-03-26
Release date:2015-04-08
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:CW-type zinc finger of ZCWPW2 with F78D mutation
To be Published
5WI9
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BU of 5wi9 by Molmil
Crystal structure of KL with an agonist Fab
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 39F7 Fab heavy chain, ...
Authors:Johnstone, S, Min, X, Wang, Z.
Deposit date:2017-07-18
Release date:2018-07-25
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Agonistic beta-Klotho antibody mimics fibroblast growth factor 21 (FGF21) functions.
J. Biol. Chem., 293, 2018
4Z0R
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BU of 4z0r by Molmil
Crystal Structure of the CW domain of ZCWPW2 mutant F78R in complex with histone H3 peptide
Descriptor: 1,2-ETHANEDIOL, Histone H3.1, SULFATE ION, ...
Authors:Liu, Y, Tempel, W, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2015-03-26
Release date:2015-04-08
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Crystal Structure of the CW domain of ZCWPW2 mutant F78R in complex with histone H3 peptide
To be Published
5WGU
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BU of 5wgu by Molmil
Crystal Structure of MalA' E494D, premalbrancheamide complex
Descriptor: (5aS,12aS,13aS)-12,12-dimethyl-2,3,11,12,12a,13-hexahydro-1H,5H,6H-5a,13a-(epiminomethano)indolizino[7,6-b]carbazol-14-one, CADMIUM ION, CHLORIDE ION, ...
Authors:Fraley, A.E, Smith, J.L.
Deposit date:2017-07-14
Release date:2017-08-16
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.052 Å)
Cite:Function and Structure of MalA/MalA', Iterative Halogenases for Late-Stage C-H Functionalization of Indole Alkaloids.
J. Am. Chem. Soc., 139, 2017
5WK7
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BU of 5wk7 by Molmil
P450cam mutant R186A
Descriptor: 5-EXO-HYDROXYCAMPHOR, Camphor 5-monooxygenase, POTASSIUM ION, ...
Authors:Batabyal, D, Poulos, T.L.
Deposit date:2017-07-24
Release date:2017-09-06
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.983 Å)
Cite:Effect of Redox Partner Binding on Cytochrome P450 Conformational Dynamics.
J. Am. Chem. Soc., 139, 2017
5WKI
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BU of 5wki by Molmil
Crystal structure of PG90 TCR-CD1b-PG complex
Descriptor: (19S,22R,25R)-22,25,26-trihydroxy-16,22-dioxo-17,21,23-trioxa-22lambda~5~-phosphahexacosan-19-yl (9E)-octadec-9-enoate, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Shahine, A, Gras, S, Rossjohn, J.
Deposit date:2017-07-25
Release date:2017-11-01
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:A molecular basis of human T cell receptor autoreactivity toward self-phospholipids.
Sci Immunol, 2, 2017
5WIR
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BU of 5wir by Molmil
Structure of the TRF1-TERB1 interface
Descriptor: TERB1-TBM, Telomeric repeat-binding factor 1
Authors:Nandakumar, J, Pendlebury, D.F, Smith, E.M, Tesmer, V.M.
Deposit date:2017-07-20
Release date:2017-10-18
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Dissecting the telomere-inner nuclear membrane interface formed in meiosis.
Nat. Struct. Mol. Biol., 24, 2017
5WJ1
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BU of 5wj1 by Molmil
Crystal structure of Arabidopsis thaliana acetohydroxyacid synthase in complex with a triazolopyrimidine herbicide, penoxsulam
Descriptor: (3Z)-4-{[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]AMINO}-3-MERCAPTOPENT-3-EN-1-YL TRIHYDROGEN DIPHOSPHATE, 2-(2,2-difluoroethoxy)-N-(5,8-dimethoxy[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)-6-(trifluoromethyl)benzenesulfonamide, Acetolactate synthase, ...
Authors:Garcia, M.D, Lonhienne, T, Guddat, L.W.
Deposit date:2017-07-21
Release date:2018-02-14
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.522 Å)
Cite:Structural insights into the mechanism of inhibition of AHAS by herbicides.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
4YYO
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BU of 4yyo by Molmil
Resting state of rat cysteine dioxygenase C164S variant
Descriptor: CHLORIDE ION, Cysteine dioxygenase type 1, FE (II) ION
Authors:Fellner, M, Tchesnokov, E.P, Siakkou, E, Rutledge, M.T, Jameson, G.N.L, Wilbanks, S.M.
Deposit date:2015-03-24
Release date:2016-06-01
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Influence of cysteine 164 on active site structure in rat cysteine dioxygenase.
J.Biol.Inorg.Chem., 21, 2016
4YXC
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BU of 4yxc by Molmil
Complex of FliM(SPOA)::FliN fusion protein and FliH(APAR)::T4lysozyme fusion protein
Descriptor: Flagellar assembly protein H,Endolysin, Flagellar motor switch protein FliM,Flagellar motor switch protein FliN
Authors:Notti, R.Q, Stebbins, C.E.
Deposit date:2015-03-23
Release date:2015-06-03
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:A common assembly module in injectisome and flagellar type III secretion sorting platforms.
Nat Commun, 6, 2015
5WMU
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BU of 5wmu by Molmil
Structural Insights into Substrate and Inhibitor Binding Sites in Human Indoleamine 2,3-Dioxygenase I
Descriptor: CYANIDE ION, Indoleamine 2,3-dioxygenase 1, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Lewis-Ballester, A, Yeh, S.R, Pham, K.N, Batabyal, D, Karkashon, S, Bonanno, J.B, Poulos, T.L.
Deposit date:2017-07-31
Release date:2017-12-06
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural insights into substrate and inhibitor binding sites in human indoleamine 2,3-dioxygenase 1.
Nat Commun, 8, 2017
5WMX
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BU of 5wmx by Molmil
Structural Insights into Substrate and Inhibitor Binding Sites in Human Indoleamine 2,3-Dioxygenase 1
Descriptor: 2-(1H-indol-3-yl)ethanol, CYANIDE ION, Indoleamine 2,3-dioxygenase 1, ...
Authors:Lewis-Ballester, A, Yeh, S.R, Pham, K.N, Batabyal, D, Karkashon, S, Bonanno, J.B, Poulos, T.M.
Deposit date:2017-07-31
Release date:2017-12-06
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.69 Å)
Cite:Structural insights into substrate and inhibitor binding sites in human indoleamine 2,3-dioxygenase 1.
Nat Commun, 8, 2017

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數據於2024-07-17公開中

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