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4Y9O
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BU of 4y9o by Molmil
PA3825-EAL Metal-Free-Apo Structure - Manganese Co-crystallisation
分子名称: PA3825-EAL, PHOSPHATE ION
著者Bellini, D, Horrell, S, Wagner, A, Strange, R, Walsh, M.A.
登録日2015-02-17
公開日2016-09-14
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献MucR and PA3825 EAL-phosphodiesterase domains from Pseudomonas aeruginosa suggest roles for three metals in the active site
To Be Published
8URW
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BU of 8urw by Molmil
Cyanobacterial RNA polymerase elongation complex with NusG and CTP
分子名称: CYTIDINE-5'-TRIPHOSPHATE, DNA (40-MER), DNA-directed RNA polymerase subunit alpha, ...
著者Qayyum, M.Z, Imashimizu, M, Leanca, M, Vishwakarma, R.K, Bradley Riaz, A, Yuzenkova, Y, Murakami, K.S.
登録日2023-10-26
公開日2023-12-27
最終更新日2024-02-21
実験手法ELECTRON MICROSCOPY (2.79 Å)
主引用文献Structure and function of the Si3 insertion integrated into the trigger loop/helix of cyanobacterial RNA polymerase.
Proc.Natl.Acad.Sci.USA, 121, 2024
5KAU
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BU of 5kau by Molmil
The structure of SAV2435 bound to RHODAMINE 6G
分子名称: GLYCEROL, RHODAMINE 6G, SA2223 protein
著者Moreno, A, Wade, H.
登録日2016-06-02
公開日2016-08-24
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Solution Binding and Structural Analyses Reveal Potential Multidrug Resistance Functions for SAV2435 and CTR107 and Other GyrI-like Proteins.
Biochemistry, 55, 2016
5C9F
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BU of 5c9f by Molmil
Crystal structure of a retropepsin-like aspartic protease from Rickettsia conorii
分子名称: ApRick protease, CHLORIDE ION, SODIUM ION
著者Li, M, Gustchina, A, Cruz, R, Simoes, M, Curto, P, Martinez, J, Faro, C, Simoes, I, Wlodawer, A.
登録日2015-06-26
公開日2015-10-14
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure of RC1339/APRc from Rickettsia conorii, a retropepsin-like aspartic protease.
Acta Crystallogr. D Biol. Crystallogr., 71, 2015
4HWW
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BU of 4hww by Molmil
Crystal structure of human Arginase-1 complexed with inhibitor 9
分子名称: Arginase-1, MANGANESE (II) ION, [(5R)-5-amino-5-carboxy-7-(piperidin-1-yl)heptyl](trihydroxy)borate(1-)
著者Cousido-Siah, A, Mitschler, A, Ruiz, F.X, Whitehouse, D.L, Golebiowski, A, Ji, M, Zhang, M, Beckett, P, Sheeler, R, Andreoli, M, Conway, B, Mahboubi, K, Schroeter, H, Van Zandt, M.C, Podjarny, A.
登録日2012-11-09
公開日2013-03-20
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.298 Å)
主引用文献Discovery of (R)-2-Amino-6-borono-2-(2-(piperidin-1-yl)ethyl)hexanoic Acid and Congeners As Highly Potent Inhibitors of Human Arginases I and II for Treatment of Myocardial Reperfusion Injury.
J.Med.Chem., 56, 2013
8C6M
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BU of 8c6m by Molmil
Human protein kinase CK2 alpha in complex with CK2-TN02
分子名称: (5~{Z})-5-[(3-methoxy-4-oxidanyl-phenyl)methylidene]-1,3-thiazolidine-2,4-dione, Casein kinase II subunit alpha, SULFATE ION
著者Dalle Vedove, A, Cazzanelli, G, Lolli, G.
登録日2023-01-12
公開日2024-04-24
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Switching off CK2-mediated activation of survivin offers new therapeutic opportunities in neuroblastoma
to be published
8C6L
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BU of 8c6l by Molmil
Human protein kinase CK2 alpha in complex with CK2-TN01
分子名称: 1,2-ETHANEDIOL, 5-azanyl-3-[(~{Z})-1-cyano-2-(3-methoxy-4-oxidanyl-phenyl)ethenyl]-3~{H}-pyrazole-4-carbonitrile, Casein kinase II subunit alpha, ...
著者Dalle Vedove, A, Cazzanelli, G, Lolli, G.
登録日2023-01-12
公開日2024-04-24
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Switching off CK2-mediated activation of survivin offers new therapeutic opportunities in neuroblastoma
to be published
8C6N
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BU of 8c6n by Molmil
Human protein kinase CK2 alpha in complex with CK2-TN03
分子名称: (2~{Z},5~{Z})-5-[(4-methoxy-3-oxidanyl-phenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one, Casein kinase II subunit alpha, SULFATE ION
著者Dalle Vedove, A, Cazzanelli, G, Lolli, G.
登録日2023-01-12
公開日2024-04-24
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Switching off CK2-mediated activation of survivin offers new therapeutic opportunities in neuroblastoma
to be published
5MWP
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BU of 5mwp by Molmil
The structure of MR in complex with AZD9977.
分子名称: 2-[(3~{S})-7-fluoranyl-4-[(3-oxidanylidene-4~{H}-1,4-benzoxazin-6-yl)carbonyl]-2,3-dihydro-1,4-benzoxazin-3-yl]-~{N}-methyl-ethanamide, Mineralocorticoid receptor, NCOA1 peptide
著者Edman, K, Aagaard, A, Backstrom, S.
登録日2017-01-19
公開日2018-03-07
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Preclinical pharmacology of AZD9977: A novel mineralocorticoid receptor modulator separating organ protection from effects on electrolyte excretion.
PLoS ONE, 13, 2018
5MWY
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BU of 5mwy by Molmil
The structure of MR in complex with eplerenone.
分子名称: Mineralocorticoid receptor, NCOA1, eplerenone
著者Edman, K, Aagaard, A, Backstrom, S.
登録日2017-01-20
公開日2018-03-07
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Preclinical pharmacology of AZD9977: A novel mineralocorticoid receptor modulator separating organ protection from effects on electrolyte excretion.
PLoS ONE, 13, 2018
5MMG
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BU of 5mmg by Molmil
Crystal structure of CREBBP bromodomain complexed with UT07C
分子名称: 1-[4-ethoxy-3-[(1-methylsulfonylindol-6-yl)amino]phenyl]ethanone, CREB-binding protein
著者Zhu, J, Caflisch, A.
登録日2016-12-09
公開日2017-12-20
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.23 Å)
主引用文献Binding Motifs in the CBP Bromodomain: An Analysis of 20 Crystal Structures of Complexes with Small Molecules.
ACS Med Chem Lett, 9, 2018
4Y9S
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BU of 4y9s by Molmil
structure of an H300N mutant of potato epoxide hydrolase, StEH1
分子名称: Epoxide hydrolase
著者Naworyta, A, Mowbray, S.L, Widersten, M.
登録日2015-02-17
公開日2015-09-16
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Expanding the Catalytic Triad in Epoxide Hydrolases and Related Enzymes.
ACS Catal, 5, 2015
5CNB
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BU of 5cnb by Molmil
Ultrafast dynamics in myoglobin: 0.5 ps time delay
分子名称: CARBON MONOXIDE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Barends, T.R.M, Foucar, L, Ardevol, A, Nass, K.J, Aquila, A, Botha, S, Doak, R.B, Falahati, K, Hartmann, E, Hilpert, M, Heinz, M, Hoffmann, M.C, Koefinger, J, Koglin, J, Kovacsova, G, Liang, M, Milathianaki, D, Lemke, H.T, Reinstein, J, Roome, C.M, Shoeman, R.L, Williams, G.J, Burghardt, I, Hummer, G, Boutet, S, Schlichting, I.
登録日2015-07-17
公開日2015-09-16
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Direct observation of ultrafast collective motions in CO myoglobin upon ligand dissociation.
Science, 350, 2015
4Y9X
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BU of 4y9x by Molmil
Crystal structure of glucosyl-3-phosphoglycerate synthase from Mycobacterium tuberculosis in complex with Mn2+, uridine-diphosphate-glucose (UDP-Glc) and phosphoglyceric acid (PGA) - GpgS Mn2+ UDP-Glc PGA-3
分子名称: 1,2-ETHANEDIOL, 3-PHOSPHOGLYCERIC ACID, CHLORIDE ION, ...
著者Albesa-Jove, D, Rodrigo-Unzueta, A, Cifuente, J.O, Urresti, S, Comino, N, Sancho-Vaello, E, Guerin, M.E.
登録日2015-02-17
公開日2015-07-15
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.637 Å)
主引用文献A Native Ternary Complex Trapped in a Crystal Reveals the Catalytic Mechanism of a Retaining Glycosyltransferase.
Angew.Chem.Int.Ed.Engl., 54, 2015
7OGT
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BU of 7ogt by Molmil
Folded elbow of cohesin
分子名称: Structural maintenance of chromosomes protein 1, Structural maintenance of chromosomes protein 3
著者Lee, B.-G, Gonzalez Llamazares, A, Collier, J, Patele, N.J, Nasmyth, K.A, Lowe, J.
登録日2021-05-07
公開日2021-07-28
最終更新日2024-07-10
実験手法ELECTRON MICROSCOPY (5.5 Å)
主引用文献Folding of cohesin's coiled coil is important for Scc2/4-induced association with chromosomes.
Elife, 10, 2021
8QB7
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BU of 8qb7 by Molmil
Pil1 in native eisosome lattice bound to plasma membrane microdomain
分子名称: Sphingolipid long chain base-responsive protein PIL1
著者Kefauver, J.M, Zou, L, Loewith, R.J, Defosses, A.
登録日2023-08-24
公開日2024-07-24
最終更新日2024-08-07
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Cryo-EM architecture of a near-native stretch-sensitive membrane microdomain.
Nature, 2024
5MPN
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BU of 5mpn by Molmil
Crystal structure of CREBBP bromodomain complexed with FA26
分子名称: 1,2-ETHANEDIOL, 1-[4-ethoxy-3-[3-(2~{H}-1,2,3,4-tetrazol-5-yl)phenyl]phenyl]ethanone, CREB-binding protein
著者Zhu, J, Caflisch, A.
登録日2016-12-16
公開日2018-01-17
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.23 Å)
主引用文献Binding Motifs in the CBP Bromodomain: An Analysis of 20 Crystal Structures of Complexes with Small Molecules.
ACS Med Chem Lett, 9, 2018
7ZVW
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BU of 7zvw by Molmil
NuA4 Histone Acetyltransferase Complex
分子名称: ADENOSINE-5'-TRIPHOSPHATE, Actin, Chromatin modification-related protein EAF1, ...
著者Schultz, P, Ben-Shem, A, Frechard, A.
登録日2022-05-17
公開日2023-05-31
最終更新日2023-09-20
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献The structure of the NuA4-Tip60 complex reveals the mechanism and importance of long-range chromatin modification.
Nat.Struct.Mol.Biol., 30, 2023
7EO4
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BU of 7eo4 by Molmil
Cryo-EM of Sphingosine 1-phosphate receptor 1 / Gi complex bound to BAF312
分子名称: 1-[[4-[(~{E})-~{N}-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxy]-~{C}-methyl-carbonimidoyl]-2-ethyl-phenyl]methyl]azetidine-3-carboxylic acid, 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, ...
著者He, Y, Xu, Z, Ikuta, T, Inoue, A.
登録日2021-04-21
公開日2022-01-05
最終更新日2022-03-16
実験手法ELECTRON MICROSCOPY (2.86 Å)
主引用文献Structural basis of sphingosine-1-phosphate receptor 1 activation and biased agonism.
Nat.Chem.Biol., 18, 2022
7AMZ
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BU of 7amz by Molmil
Crystal structure of human Butyrylcholinesterase in complex with N-((2S,3R)-4-((2,2-dimethylpropyl)amino)-3-hydroxy-1-phenylbutan-2-yl)-2,2-diphenylacetamide
分子名称: 2,2-dimethylpropyl-[(2~{R},3~{S})-3-(2,2-diphenylethanoylamino)-2-oxidanyl-4-phenyl-butyl]azanium, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Brazzolotto, X, Pasieka, A, Panek, D, Wieckowska, A.
登録日2020-10-10
公開日2021-05-26
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Discovery of multifunctional anti-Alzheimer's agents with a unique mechanism of action including inhibition of the enzyme butyrylcholinesterase and gamma-aminobutyric acid transporters.
Eur.J.Med.Chem., 218, 2021
4YFE
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BU of 4yfe by Molmil
Crystal structure of PTP delta Fn1-Fn2
分子名称: Receptor-type tyrosine-protein phosphatase delta
著者Yamagata, A, Fukai, S.
登録日2015-02-25
公開日2015-05-06
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.972 Å)
主引用文献Mechanisms of splicing-dependent trans-synaptic adhesion by PTP delta-IL1RAPL1/IL-1RAcP for synaptic differentiation.
Nat Commun, 6, 2015
6L4Q
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BU of 6l4q by Molmil
Crystal Structure of Lysyl-tRNA Synthetase from Plasmodium falciparum complexed with L-lysine and Clado-B
分子名称: (3R)-3-[[(3R)-3-methylpiperidin-1-yl]methyl]-6,8-bis(oxidanyl)-3,4-dihydroisochromen-1-one, LYSINE, Lysine--tRNA ligase
著者Babbar, P, Sharma, A, Manickam, Y, Mishra, S, Harlos, K.
登録日2019-10-19
公開日2021-05-19
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Crystal Structure of Lysyl-tRNA Synthetase from Plasmodium falciparum complexed with L-lysine and Cladosporin inhibitor, Cla-B
Chembiochem, 2021
6L3Y
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Crystal Structure of Lysyl-tRNA Synthetase from Plasmodium falciparum complexed with L-lysine and Clado-C
分子名称: (3R)-3-[[(3S)-3-ethylpiperidin-1-yl]methyl]-6,8-bis(oxidanyl)-3,4-dihydroisochromen-1-one, LYSINE, Lysine--tRNA ligase, ...
著者Babbar, P, Sharma, A, Mishra, S, Manickam, Y, Harlos, K.
登録日2019-10-15
公開日2021-05-19
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Crystal Structure of Lysyl-tRNA Synthetase from Plasmodium falciparum complexed with L-lysine and Cladosporin inhibitor, Cla-B
Chembiochem, 2021
4Y9N
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BU of 4y9n by Molmil
PA3825-EAL Metal-Free-Apo Structure - Magnesium Co-crystallisation
分子名称: PA3825-EAL, PHOSPHATE ION
著者Bellini, D, Horrell, S, Wagner, A, Strange, R, Walsh, M.A.
登録日2015-02-17
公開日2016-03-09
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献Structure of PA3825 from P. aeruginosa bound to cyclic di-GMP and pGpG: new insights for a potential three-metal catalytic mechanism of EAL domains
To Be Published
3WLB
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BU of 3wlb by Molmil
HLA-A24 in complex with HIV-1 Nef126-10(8T10F)
分子名称: Beta-2-microglobulin, HLA class I histocompatibility antigen, A-24 alpha chain, ...
著者Shimizu, A, Fukai, S, Yamagata, A, Iwamoto, A, Han, C.
登録日2013-11-08
公開日2014-06-11
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Switching and emergence of CTL epitopes in HIV-1 infection
Retrovirology, 11, 2014

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