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5W4W
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BU of 5w4w by Molmil
Identification and Profiling of a Selective and Brain Penetrant Radioligand for In Vivo Target Occupancy Measurement of Casein Kinase 1 (CK1) Inhibitors
分子名称: 4-[3-(4-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]-6-methyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-5-one, Casein kinase I isoform delta, SULFATE ION
著者Liu, S.
登録日2017-06-13
公開日2017-06-28
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Identification and Profiling of a Selective and Brain Penetrant Radioligand for in Vivo Target Occupancy Measurement of Casein Kinase 1 (CK1) Inhibitors.
ACS Chem Neurosci, 8, 2017
5W5E
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BU of 5w5e by Molmil
Re-refinement of the pyocin tube structure
分子名称: FIIR2 protein
著者Wang, F, Zheng, W, Taylor, N.M, Guerrero-Ferreira, R.C, Leiman, P.G, Egelman, E.H.
登録日2017-06-15
公開日2017-08-16
最終更新日2024-03-13
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Refined Cryo-EM Structure of the T4 Tail Tube: Exploring the Lowest Dose Limit.
Structure, 25, 2017
6D23
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BU of 6d23 by Molmil
GLUCOSE-6-P DEHYDROGENASE (APO FORM) FROM TRYPANOSOMA CRUZI
分子名称: CHLORIDE ION, GLYCEROL, Glucose-6-phosphate 1-dehydrogenase, ...
著者Botti, H, Ortiz, C, Comini, M.A, Larrieux, N, Buschiazzo, A.
登録日2018-04-12
公開日2018-05-02
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Glucose-6-Phosphate Dehydrogenase from the Human Pathogen Trypanosoma cruzi Evolved Unique Structural Features to Support Efficient Product Formation.
J.Mol.Biol., 431, 2019
5VXY
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BU of 5vxy by Molmil
Cryo-EM reconstruction of PAK pilus from Pseudomonas aeruginosa
分子名称: Fimbrial protein
著者Wang, F, Osinksi, T, Orlova, A, Altindal, T, Craig, L, Egelman, E.H.
登録日2017-05-24
公開日2017-07-12
最終更新日2024-11-20
実験手法ELECTRON MICROSCOPY (8 Å)
主引用文献Cryoelectron Microscopy Reconstructions of the Pseudomonas aeruginosa and Neisseria gonorrhoeae Type IV Pili at Sub-nanometer Resolution.
Structure, 25, 2017
5VYL
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BU of 5vyl by Molmil
Crystal Structure of N-terminal half of Herpes Simplex virus Type 1 UL37 protein
分子名称: Inner tegument protein, SODIUM ION
著者Koenigsberg, A, Heldwein, E.E.
登録日2017-05-25
公開日2017-08-02
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (3.51 Å)
主引用文献Crystal Structure of the N-Terminal Half of the Traffic Controller UL37 from Herpes Simplex Virus 1.
J. Virol., 91, 2017
5VYR
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BU of 5vyr by Molmil
Crystal structure of the WbkC formyl transferase from Brucella melitensis
分子名称: (6R)-2-amino-6-methyl-5,6,7,8-tetrahydropteridin-4(3H)-one, 1,2-ETHANEDIOL, CHLORIDE ION, ...
著者Riegert, A.S, Chantigian, D.P, Thoden, J.B, Holden, H.M.
登録日2017-05-26
公開日2017-07-05
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Biochemical Characterization of WbkC, an N-Formyltransferase from Brucella melitensis.
Biochemistry, 56, 2017
5VZ0
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BU of 5vz0 by Molmil
Crystal structure of Lactococcus lactis pyruvate carboxylase G746A mutant in complex with cyclic-di-AMP
分子名称: (2R,3R,3aS,5R,7aR,9R,10R,10aS,12R,14aR)-2,9-bis(6-amino-9H-purin-9-yl)octahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8 ]tetraoxadiphosphacyclododecine-3,5,10,12-tetrol 5,12-dioxide, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
著者Choi, P.H, Tong, L.
登録日2017-05-26
公開日2017-08-16
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural and functional studies of pyruvate carboxylase regulation by cyclic di-AMP in lactic acid bacteria.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5W0C
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BU of 5w0c by Molmil
Cytochrome P450 (CYP) 2C9 TCA007 Inhibitor Complex
分子名称: Cytochrome P450 2C9, GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Johnson, E.F, Hsu, M.-H.
登録日2017-05-30
公開日2017-09-13
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.001 Å)
主引用文献Determinants of the Inhibition of DprE1 and CYP2C9 by Antitubercular Thiophenes.
Angew. Chem. Int. Ed. Engl., 56, 2017
5W68
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BU of 5w68 by Molmil
Type II secretin from Enteropathogenic Escherichia coli - GspD
分子名称: Putative type II secretion protein
著者Hay, I.D, Belousoff, M.J, Dunstan, R, Bamert, R, Lithgow, T.
登録日2017-06-16
公開日2017-11-15
最終更新日2024-03-13
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Structure and Membrane Topography of the Vibrio-Type Secretin Complex from the Type 2 Secretion System of Enteropathogenic Escherichia coli.
J. Bacteriol., 200, 2018
5W55
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BU of 5w55 by Molmil
Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor JWG048
分子名称: 1,2-ETHANEDIOL, 11-ethyl-2-({2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]phenyl}amino)-5-methyl-5,11-dihydro-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one, Bromodomain-containing protein 4
著者Xu, X, Blacklow, S.C.
登録日2017-06-14
公開日2018-06-20
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.354 Å)
主引用文献Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor JWG048
To Be Published
5W60
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BU of 5w60 by Molmil
Crystal structure of BAXP168G monomer cryo-protected with ethylene glycol
分子名称: Apoptosis regulator BAX, SULFATE ION
著者Robin, A.Y, Colman, P.M, Czabotar, P.E.
登録日2017-06-16
公開日2018-06-27
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.803 Å)
主引用文献Ensemble Properties of Bax Determine Its Function.
Structure, 26, 2018
5W4D
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BU of 5w4d by Molmil
C. japonica N-domain, Selenomethionine mutant
分子名称: 1,2-ETHANEDIOL, 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, CHLORIDE ION, ...
著者Aoki, S.T, Bingman, C.A, Kimble, J.
登録日2017-06-10
公開日2018-06-13
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.599 Å)
主引用文献C. elegans germ granules require both assembly and localized regulators for mRNA repression.
Nat Commun, 12, 2021
5W5J
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BU of 5w5j by Molmil
Identification of potent and selective RIPK2 inhibitors for the treatment of inflammatory diseases
分子名称: N-(2-chlorophenyl)pyrazolo[1,5-a]pyridine-3-carboxamide, Receptor-interacting serine/threonine-protein kinase 2, SULFATE ION
著者Kreusch, A, Spraggon, G.
登録日2017-06-15
公開日2017-10-25
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Identification of Potent and Selective RIPK2 Inhibitors for the Treatment of Inflammatory Diseases.
ACS Med Chem Lett, 8, 2017
5W5F
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BU of 5w5f by Molmil
Cryo-EM structure of the T4 tail tube
分子名称: Tail tube protein gp19
著者Zheng, W, Wang, F, Taylor, N.M, Guerrero-Ferreira, R.C, Leiman, P.G, Egelman, E.H.
登録日2017-06-15
公開日2017-08-16
最終更新日2024-03-13
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Refined Cryo-EM Structure of the T4 Tail Tube: Exploring the Lowest Dose Limit.
Structure, 25, 2017
5W61
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BU of 5w61 by Molmil
Crystal structure of BAXP168G monomer co-crystallized with glycerol
分子名称: Apoptosis regulator BAX
著者Robin, A.Y, Colman, P.M, Czabotar, P.E.
登録日2017-06-16
公開日2018-06-27
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Ensemble Properties of Bax Determine Its Function.
Structure, 26, 2018
5W63
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BU of 5w63 by Molmil
Crystal structure of channel catfish BAX
分子名称: 1,2-ETHANEDIOL, Apoptosis regulator bax, SULFATE ION
著者Robin, A.Y, Colman, P.M, Czabotar, P.E, Luo, C.S.
登録日2017-06-16
公開日2018-06-27
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.436 Å)
主引用文献Ensemble Properties of Bax Determine Its Function.
Structure, 26, 2018
5VTO
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BU of 5vto by Molmil
Solution Structure of BlsM
分子名称: Blasticidin M
著者Kang, M, Doddapaneni, K, Heppner, Z, Wu, Z.
登録日2017-05-17
公開日2018-05-23
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Solution Structure of the NUCLEOTIDE hydrolase BlsM: Implication of its Substrate Specificity
To Be Published
5VKG
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BU of 5vkg by Molmil
Solution-state NMR structural ensemble of human Tsg101 UEV in complex with tenatoprazole
分子名称: 4-methoxy-1-(5-methoxy-3H-imidazo[4,5-b]pyridin-2-yl)-3,5-dimethyl-2-(sulfanylmethyl)pyridin-1-ium, Tumor susceptibility gene 101 protein
著者Strickland, M, Ehrlich, L.S, Watanabe, S, Khan, M, Strub, M.-P, Luan, C.H, Powell, M.D, Leis, J, Tjandra, N, Carter, C.
登録日2017-04-21
公開日2017-11-15
最終更新日2024-10-30
実験手法SOLUTION NMR
主引用文献Tsg101 chaperone function revealed by HIV-1 assembly inhibitors.
Nat Commun, 8, 2017
5VF0
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BU of 5vf0 by Molmil
Solution NMR structure of human RAD18 (198-240) in complex with ubiquitin
分子名称: E3 ubiquitin-protein ligase RAD18, Polyubiquitin-B, ZINC ION
著者Hu, Q, Botuyan, M.V, Mer, G.
登録日2017-04-06
公開日2017-05-17
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Mechanisms of Ubiquitin-Nucleosome Recognition and Regulation of 53BP1 Chromatin Recruitment by RNF168/169 and RAD18.
Mol. Cell, 66, 2017
5VLN
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BU of 5vln by Molmil
NMR structure of the N-domain of troponin C bound to switch region of troponin I
分子名称: Troponin C, slow skeletal and cardiac muscles,Troponin I, cardiac muscle
著者Cai, F, Hwang, P.M, Sykes, B.D.
登録日2017-04-25
公開日2017-05-24
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Structures reveal details of small molecule binding to cardiac troponin.
J. Mol. Cell. Cardiol., 101, 2016
6D9Z
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BU of 6d9z by Molmil
Structure of CysZ, a sulfate permease from Pseudomonas Denitrificans
分子名称: Sulfate transporter CysZ, octyl beta-D-glucopyranoside
著者Sanghai, Z.A, Clarke, O.B, Liu, Q, Banerjee, S, Rajashankar, K.R, Hendrickson, W.A, Mancia, F.
登録日2018-04-30
公開日2018-05-23
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (3.4021318 Å)
主引用文献Structure-based analysis of CysZ-mediated cellular uptake of sulfate.
Elife, 7, 2018
5W3N
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BU of 5w3n by Molmil
Molecular structure of FUS low sequence complexity domain protein fibrils
分子名称: RNA-binding protein FUS
著者Murray, D.T, Kato, M, Lin, Y, Thurber, K, Hung, I, McKnight, S, Tycko, R.
登録日2017-06-08
公開日2017-09-27
最終更新日2024-05-15
実験手法SOLID-STATE NMR
主引用文献Structure of FUS Protein Fibrils and Its Relevance to Self-Assembly and Phase Separation of Low-Complexity Domains.
Cell, 171, 2017
5VNT
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BU of 5vnt by Molmil
Solution NMR Structure of the C-terminal Headpiece Domain of Villin 4 from A.thaliana, the First Non-Vertebrate Headpiece Structure
分子名称: Villin-4
著者Miears, H.L, Smirnov, S.L.
登録日2017-05-01
公開日2017-05-10
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Plant Villin Headpiece Domain Demonstrates a Novel Surface Charge Pattern and High Affinity for F-Actin.
Biochemistry, 57, 2018
5W0Y
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BU of 5w0y by Molmil
Solution NMR Structure of a Class I Hydrophobin from Serpula lacrymans
分子名称: Hydrophobin
著者Kenward, C, Langelaan, D.N.
登録日2017-06-01
公開日2018-06-06
最終更新日2024-10-23
実験手法SOLUTION NMR
主引用文献Characterization of the structure and self-assembly of two distinct class IB hydrophobins.
Appl.Microbiol.Biotechnol., 106, 2022
5VSO
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BU of 5vso by Molmil
NMR structure of Ydj1 J-domain, a cytosolic Hsp40 from Saccharomyces cerevisiae
分子名称: Yeast dnaJ protein 1
著者Ciesielski, S.J, Tonelli, M, Lee, W, Cornilescu, G, Markley, J.L, Schilke, B.A, Ziegelhoffer, T, Craig, E.A.
登録日2017-05-12
公開日2017-11-01
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Broadening the functionality of a J-protein/Hsp70 molecular chaperone system.
PLoS Genet., 13, 2017

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