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6N6O
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BU of 6n6o by Molmil
Crystal structure of the human TTK in complex with an inhibitor
Descriptor: 1,2-ETHANEDIOL, 4-({5-chloro-4-[(cis-4-hydroxy-4-methylcyclohexyl)oxy]-7H-pyrrolo[2,3-d]pyrimidin-2-yl}amino)-N,N-dimethyl-3-{[(2R)-1,1,1-trifluoropropan-2-yl]oxy}benzamide, Dual specificity protein kinase TTK, ...
Authors:Fenalti, G.
Deposit date:2018-11-26
Release date:2019-05-15
Last modified:2019-05-22
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Design and Optimization Leading to an Orally Active TTK Protein Kinase Inhibitor with Robust Single Agent Efficacy.
J.Med.Chem., 62, 2019
6CN8
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BU of 6cn8 by Molmil
High-resolution structure of ClpC1-NTD binding to Rufomycin-I
Descriptor: ATP-dependent Clp protease ATP-binding subunit ClpC1, CHLORIDE ION, PHOSPHATE ION, ...
Authors:Abad-Zapatero, C, Wolf, N.W.
Deposit date:2018-03-07
Release date:2019-06-05
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:High-Resolution Structure of ClpC1-Rufomycin and Ligand Binding Studies Provide a Framework to Design and Optimize Anti-Tuberculosis Leads.
Acs Infect Dis., 5, 2019
7WQQ
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BU of 7wqq by Molmil
Retinoic acid receptor alpha mutant - N299H
Descriptor: 4-[(E)-3-(3,5-ditert-butylphenyl)-3-oxidanylidene-prop-1-enyl]benzoic acid, Peptide from Nuclear receptor coactivator 1, Retinoic acid receptor alpha
Authors:Huang, X.X, Ng, L.M, Teh, B.T.
Deposit date:2022-01-25
Release date:2023-01-25
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Effects of breast fibroepithelial tumor associated retinoic acid receptor alpha ligand binding domain mutations on receptor function and retinoid signaling
To Be Published
6PZK
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BU of 6pzk by Molmil
Cryo-EM Structure of the Respiratory Syncytial Virus Polymerase (L) Protein Bound by the Tetrameric Phosphoprotein (P)
Descriptor: Phosphoprotein, RNA-directed RNA polymerase L
Authors:Gilman, M.S.A, McLellan, J.S.
Deposit date:2019-08-01
Release date:2019-09-11
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Structure of the Respiratory Syncytial Virus Polymerase Complex.
Cell, 179, 2019
6BWW
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BU of 6bww by Molmil
Crystal structure of an acetate and Cymal-5 bound cytochrome P450 2B4 F429H mutant
Descriptor: 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, ACETATE ION, Cytochrome P450 2B4, ...
Authors:Yang, Y.T, Waskell, L.
Deposit date:2017-12-15
Release date:2018-12-19
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure of cytochrome P450 2B4 with an acetate ligand and an active site hydrogen bond network similar to oxyferrous P450cam.
J.Inorg.Biochem., 185, 2018
6QE0
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BU of 6qe0 by Molmil
Structure of E.coli RlmJ in complex with a bisubstrate analogue (BA2)
Descriptor: (2~{S})-4-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-[2-[[9-[(2~{R},3~{R},4~{S},5~{R})-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]purin-6-yl]amino]ethyl]amino]-2-azanyl-butanoic acid, Ribosomal RNA large subunit methyltransferase J
Authors:Oerum, S, Catala, M, Atdjian, C, Brachet, F, Ponchon, L, Barraud, P, Iannazzo, L, Droogmans, L, Braud, E, Etheve-Quelquejeu, M, Tisne, C.
Deposit date:2019-01-03
Release date:2019-03-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.394 Å)
Cite:Bisubstrate analogues as structural tools to investigate m6A methyltransferase active sites.
Rna Biol., 16, 2019
6QDX
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BU of 6qdx by Molmil
Structure of E.coli RlmJ in complex with a bisubstrate analogue (BA4)
Descriptor: (2~{S})-4-[[(2~{S},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-[3-[[9-[(2~{S},3~{R},4~{S},5~{S})-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]purin-6-yl]amino]propyl]amino]-2-azanyl-butanoic acid, Ribosomal RNA large subunit methyltransferase J
Authors:Oerum, S, Catala, M, Atdjian, C, Brachet, F, Ponchon, L, Barraud, P, Iannazzo, L, Droogmans, L, Braud, E, Etheve-Quelquejeu, M, Tisne, C.
Deposit date:2019-01-03
Release date:2019-03-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Bisubstrate analogues as structural tools to investigate m6A methyltransferase active sites.
Rna Biol., 16, 2019
6Q45
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BU of 6q45 by Molmil
F1-ATPase from Fusobacterium nucleatum
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP synthase epsilon chain, ...
Authors:Petri, J, Nakatani, Y, Montgomery, M.G, Ferguson, S.A, Aragao, D, Leslie, A.G.W, Heikal, A, Walker, J.E, Cook, G.M.
Deposit date:2018-12-05
Release date:2019-07-10
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (3.6 Å)
Cite:Structure of F1-ATPase from the obligate anaerobe Fusobacterium nucleatum.
Open Biology, 9, 2019
6AO5
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BU of 6ao5 by Molmil
Crystal structure of human MST2 in complex with SAV1 SARAH domain
Descriptor: MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Protein salvador homolog 1, ...
Authors:Tomchick, D.R, Luo, X, Ni, L.
Deposit date:2017-08-15
Release date:2017-11-08
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.955 Å)
Cite:SAV1 promotes Hippo kinase activation through antagonizing the PP2A phosphatase STRIPAK.
Elife, 6, 2017
6AWS
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BU of 6aws by Molmil
Structure of PR 10 Allergen Ara h 8.01 in complex with quercetin
Descriptor: 3,5,7,3',4'-PENTAHYDROXYFLAVONE, Ara h 8 allergen, CHLORIDE ION, ...
Authors:Offermann, L.R, McBride, J, Hurlburt, B.K, Maleki, S.J, Pote, S.S, Perdue, M, Chruszcz, M.
Deposit date:2017-09-06
Release date:2018-09-12
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Structure of PR-10 Allergen Ara h 8.01.
To Be Published
7VZR
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BU of 7vzr by Molmil
Structure of the Acidobacteria homodimeric reaction center bound with cytochrome c (the smaller form)
Descriptor: BACTERIOCHLOROPHYLL A, CALCIUM ION, CHLOROPHYLL A, ...
Authors:Huang, G.Q, Dong, S.S, Qin, X.C, Sui, S.F.
Deposit date:2021-11-16
Release date:2022-12-28
Last modified:2024-06-26
Method:ELECTRON MICROSCOPY (2.22 Å)
Cite:Structure of the Acidobacteria homodimeric reaction center bound with cytochrome c
Nat Commun, 13, 2022
3A98
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BU of 3a98 by Molmil
Crystal structure of the complex of the interacting regions of DOCK2 and ELMO1
Descriptor: Dedicator of cytokinesis protein 2, Engulfment and cell motility protein 1
Authors:Hanawa-Suetsugu, K, Kukimoto-Niino, M, Sekine, S, Ito, T, Mishima-Tsumagari, C, Terada, T, Shirouzu, M, Fukui, Y, Yokoyama, S.
Deposit date:2009-10-21
Release date:2010-10-27
Last modified:2019-09-04
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural basis for mutual relief of the Rac guanine nucleotide exchange factor DOCK2 and its partner ELMO1 from their autoinhibited forms.
Proc.Natl.Acad.Sci.USA, 109, 2012
3A8Y
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BU of 3a8y by Molmil
Crystal structure of the complex between the BAG5 BD5 and Hsp70 NBD
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BAG family molecular chaperone regulator 5, Heat shock 70 kDa protein 1
Authors:Arakawa, A, Handa, N, Ohsawa, N, Shirouzu, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2009-10-13
Release date:2010-03-31
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The C-terminal BAG domain of BAG5 induces conformational changes of the Hsp70 nucleotide-binding domain for ADP-ATP exchange
Structure, 18, 2010
7W0N
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BU of 7w0n by Molmil
Cryo-EM structure of a dimeric GPCR-Gi complex with peptide
Descriptor: Apelin receptor early endogenous ligand, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
Authors:Xu, F, Yue, Y, Wu, L.J, Liu, L.E, Hanson, M.
Deposit date:2021-11-18
Release date:2022-07-27
Method:ELECTRON MICROSCOPY (4.21 Å)
Cite:Structural insight into apelin receptor-G protein stoichiometry.
Nat.Struct.Mol.Biol., 29, 2022
7W0O
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BU of 7w0o by Molmil
Cryo-EM structure of a monomeric GPCR-Gi complex with peptide
Descriptor: Apelin receptor early endogenous ligand, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
Authors:Xu, F, Yue, Y, Liu, L.E, Wu, L.J, Hanson, M.
Deposit date:2021-11-18
Release date:2022-07-27
Method:ELECTRON MICROSCOPY (3.78 Å)
Cite:Structural insight into apelin receptor-G protein stoichiometry.
Nat.Struct.Mol.Biol., 29, 2022
7W0P
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BU of 7w0p by Molmil
Cryo-EM structure of a GPCR-Gi complex with peptide
Descriptor: Apelin receptor early endogenous ligand, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
Authors:Xu, F, Yue, Y, Liu, L.E, Wu, L.J, Hanson, M.
Deposit date:2021-11-18
Release date:2022-07-27
Method:ELECTRON MICROSCOPY (3.16 Å)
Cite:Structural insight into apelin receptor-G protein stoichiometry.
Nat.Struct.Mol.Biol., 29, 2022
4H41
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BU of 4h41 by Molmil
Crystal structure of a putative alpha-L-fucosidase (BT_0435) from Bacteroides thetaiotaomicron VPI-5482 at 1.80 A resolution
Descriptor: 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, PENTAETHYLENE GLYCOL, ...
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2012-09-14
Release date:2012-10-10
Last modified:2023-02-01
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of a putative alpha-L-fucosidase (BT_0435) from Bacteroides thetaiotaomicron VPI-5482 at 1.80 A resolution
To be published
4H08
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BU of 4h08 by Molmil
Crystal structure of a putative hydrolase (BT3161) from Bacteroides thetaiotaomicron VPI-5482 at 1.80 A resolution
Descriptor: GLYCEROL, ISOPROPYL ALCOHOL, Putative hydrolase, ...
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2012-09-07
Release date:2012-10-17
Last modified:2023-02-01
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of a putative hydrolase (BT3161) from Bacteroides thetaiotaomicron VPI-5482 at 1.80 A resolution
To be published
6CGN
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BU of 6cgn by Molmil
X-ray crystal structure of Bacillus subtilis ribonucleotide reductase NrdE alpha subunit dAMP-bound (pH 7)
Descriptor: 1,2-ETHANEDIOL, 2'-DEOXYADENOSINE-5'-MONOPHOSPHATE, PHOSPHATE ION, ...
Authors:Maggiolo, A.O, Boal, A.K.
Deposit date:2018-02-20
Release date:2018-05-09
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:An endogenous dAMP ligand inBacillus subtilisclass Ib RNR promotes assembly of a noncanonical dimer for regulation by dATP.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
4HGD
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BU of 4hgd by Molmil
Structural insights into yeast Nit2: C169S mutant of yeast Nit2 in complex with an endogenous peptide-like ligand
Descriptor: CACODYLATE ION, GLYCEROL, N-(4-carboxy-4-oxobutanoyl)-L-cysteinylglycine, ...
Authors:Liu, H, Qiu, X, Zhang, M, Gao, Y, Niu, L, Teng, M.
Deposit date:2012-10-08
Release date:2013-07-31
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Structures of enzyme-intermediate complexes of yeast Nit2: insights into its catalytic mechanism and different substrate specificity compared with mammalian Nit2
Acta Crystallogr.,Sect.D, 69, 2013
4I95
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BU of 4i95 by Molmil
Crystal structure of a Lipocalin-like protein (BACEGG_00036) from Bacteroides eggerthii DSM 20697 at 1.81 A resolution
Descriptor: Putative uncharacterized protein, UNKNOWN LIGAND
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2012-12-04
Release date:2012-12-26
Last modified:2023-02-01
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Crystal structure of a hypothetical protein (BACEGG_00036) from Bacteroides eggerthii DSM 20697 at 1.81 A resolution
To be published
6CGM
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BU of 6cgm by Molmil
X-ray crystal structure of Bacillus subtilis ribonucleotide reductase NrdE alpha subunit (nucleotide free)
Descriptor: 1,2-ETHANEDIOL, Ribonucleoside-diphosphate reductase
Authors:Maggiolo, A.O, Boal, A.K.
Deposit date:2018-02-20
Release date:2018-05-09
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:An endogenous dAMP ligand inBacillus subtilisclass Ib RNR promotes assembly of a noncanonical dimer for regulation by dATP.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
4RGL
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BU of 4rgl by Molmil
Crystal structure of a Fic family protein (Dde_2494) from Desulfovibrio desulfuricans G20 at 2.70 A resolution
Descriptor: Filamentation induced by cAMP protein Fic, UNKNOWN LIGAND
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2014-09-30
Release date:2014-10-29
Last modified:2023-02-01
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal structure of a Fic family protein (Dde_2494) from Desulfovibrio desulfuricans G20 at 2.70 A resolution
To be published
2OH4
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BU of 2oh4 by Molmil
Crystal structure of Vegfr2 with a benzimidazole-urea inhibitor
Descriptor: METHYL (5-{4-[({[2-FLUORO-5-(TRIFLUOROMETHYL)PHENYL]AMINO}CARBONYL)AMINO]PHENOXY}-1H-BENZIMIDAZOL-2-YL)CARBAMATE, SULFATE ION, Vascular endothelial growth factor receptor 2
Authors:Nolte, R.T, Wang, L.
Deposit date:2007-01-09
Release date:2007-09-18
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Discovery of Novel Benzimidazoles as Potent Inhibitors of TIE-2 and VEGFR-2 Tyrosine Kinase Receptors.
J.Med.Chem., 50, 2007
4GZV
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BU of 4gzv by Molmil
Crystal structure of a lipocalin family protein (BACOVA_00364) from Bacteroides ovatus ATCC 8483 at 1.95 A resolution
Descriptor: ACETATE ION, GLYCEROL, SODIUM ION, ...
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2012-09-06
Release date:2012-11-07
Last modified:2023-02-01
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Crystal structure of a hypothetical protein (BACOVA_00364) from Bacteroides ovatus ATCC 8483 at 1.95 A resolution
To be published

223166

數據於2024-07-31公開中

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