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3KXS
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BU of 3kxs by Molmil
Crystal structure of HBV capsid mutant dimer (oxy form), strain adyw
分子名称: Capsid protein
著者Packianathan, C, Katen, S.P, Zlotnick, A.
登録日2009-12-03
公開日2010-02-02
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Conformational changes in the hepatitis B virus core protein are consistent with a role for allostery in virus assembly
J.Virol., 84, 2010
2IDR
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BU of 2idr by Molmil
Crystal structure of translation initiation factor EIF4E from wheat
分子名称: Eukaryotic translation initiation factor 4E-1
著者Monzingo, A.F, Sadow, J, Dhaliwal, S, Lyon, A, Hoffman, D.W, Robertus, J.D, Browning, K.S.
登録日2006-09-15
公開日2007-06-12
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献The structure of eukaryotic translation initiation factor-4E from wheat reveals a novel disulfide bond.
Plant Physiol., 143, 2007
7NTU
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BU of 7ntu by Molmil
X-ray structure of the complex between human alpha thrombin and two duplex/quadruplex aptamers: NU172 and HD22_27mer
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide, HD22_27mer, ...
著者Troisi, R, Santamaria, A, Sica, F.
登録日2021-03-10
公開日2021-04-28
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Structural and functional analysis of the simultaneous binding of two duplex/quadruplex aptamers to human alpha-thrombin.
Int.J.Biol.Macromol., 181, 2021
5J0J
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BU of 5j0j by Molmil
De novo design of protein homo-oligomers with modular hydrogen bond network-mediated specificity
分子名称: designed protein 2L6HC3_6
著者Sankaran, B, Zwart, P.H, Pereira, J.H, Baker, D, Boyken, S, Chen, Z, Groves, B, Langan, R.A, Oberdorfer, G, Ford, A, Gilmore, J, Xu, C, DiMaio, F, Seelig, G.
登録日2016-03-28
公開日2016-05-25
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.256 Å)
主引用文献De novo design of protein homo-oligomers with modular hydrogen-bond network-mediated specificity.
Science, 352, 2016
5JD8
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BU of 5jd8 by Molmil
Crystal structure of the serine endoprotease from Yersinia pestis
分子名称: 3-CYCLOHEXYL-1-PROPYLSULFONIC ACID, DI(HYDROXYETHYL)ETHER, Periplasmic serine peptidase DegS, ...
著者Filippova, E.V, Wawrzsak, Z, Sandoval, J, Skarina, T, Grimshaw, S, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2016-04-15
公開日2016-05-04
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Crystal structure of the serine endoprotease from Yersinia pestis
To Be Published
5JGO
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BU of 5jgo by Molmil
tRNA guanine Transglycosylase (TGT) in co-crystallized complex with allyl (2-(methylamino)-8-oxo-7,8-dihydro-1H-imidazo[4,5-g]quinazolin-6-yl)carbamate
分子名称: 1,2-ETHANEDIOL, GLYCEROL, Queuine tRNA-ribosyltransferase, ...
著者Ehrmann, F.R, Heine, A, Klebe, G.
登録日2016-04-20
公開日2017-05-10
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.37 Å)
主引用文献Carbamate-protected lin-Benzoguanines as promising candidates for improving solubility and membrane permeability
To be published
7OAJ
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BU of 7oaj by Molmil
Crystal structure of pseudokinase CASK in complex with compound 7
分子名称: 1,2-ETHANEDIOL, 4-(cyclopentylamino)-2-[(3,4-dichlorophenyl)methylamino]-N-[3-(2-oxidanylidenepyrrolidin-1-yl)propyl]pyrimidine-5-carboxamide, Peripheral plasma membrane protein CASK
著者Chaikuad, A, Russ, N, Knapp, S, Structural Genomics Consortium (SGC)
登録日2021-04-19
公開日2021-05-19
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Design and Development of a Chemical Probe for Pseudokinase Ca 2+ /calmodulin-Dependent Ser/Thr Kinase.
J.Med.Chem., 64, 2021
4TLE
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BU of 4tle by Molmil
Crystal structure of N-terminal C1 domain of KaiC
分子名称: CHLORIDE ION, Circadian clock protein kinase KaiC, MAGNESIUM ION, ...
著者Abe, J, Hiyama, T.B, Mukaiyama, A, Son, S, Akiyama, S.
登録日2014-05-29
公開日2015-07-01
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.936 Å)
主引用文献Atomic-scale origins of slowness in the cyanobacterial circadian clock
Science, 349, 2015
7OAI
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BU of 7oai by Molmil
Crystal structure of pseudokinase CASK in complex with PFE-PKIS12
分子名称: 1,2-ETHANEDIOL, 4-(Cyclopentylamino)-2-[(2,5-dichlorophenyl)methylamino]-N-[3-(2-oxo-1,3-oxazolidin-3-yl)propyl]pyrimidine-5-carboxamide, Peripheral plasma membrane protein CASK
著者Chaikuad, A, Knapp, S, Structural Genomics Consortium (SGC)
登録日2021-04-19
公開日2021-05-19
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Design and Development of a Chemical Probe for Pseudokinase Ca 2+ /calmodulin-Dependent Ser/Thr Kinase.
J.Med.Chem., 64, 2021
2BYD
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BU of 2byd by Molmil
Structure of aminoadipate-semialdehyde dehydrogenase- phosphopantetheinyl transferase
分子名称: BROMIDE ION, HSPC223
著者Bunkoczi, G, Wu, X, Dubinina, E, Johansson, C, Smee, C, Turnbull, A, Oppermann, U, von Delft, F, Arrowsmith, C, Edwards, A, Sundstrom, M, Weigelt, J.
登録日2005-07-29
公開日2005-08-05
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Mechanism and substrate recognition of human holo ACP synthase.
Chem. Biol., 14, 2007
7OAK
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BU of 7oak by Molmil
Crystal structure of pseudokinase CASK in complex with compound 26
分子名称: 1,2-ETHANEDIOL, 2-[[2,5-bis(bromanyl)-4-methyl-phenyl]methylamino]-4-(cyclopentylamino)-N-[3-(2-oxidanylidene-1,3-oxazolidin-3-yl)propyl]pyrimidine-5-carboxamide, Peripheral plasma membrane protein CASK
著者Chaikuad, A, Russ, N, Knapp, S, Structural Genomics Consortium (SGC)
登録日2021-04-19
公開日2021-05-19
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.23 Å)
主引用文献Design and Development of a Chemical Probe for Pseudokinase Ca 2+ /calmodulin-Dependent Ser/Thr Kinase.
J.Med.Chem., 64, 2021
5JJX
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BU of 5jjx by Molmil
Crystal structure of the HAT domain of sart3
分子名称: CHLORIDE ION, Squamous cell carcinoma antigen recognized by T-cells 3, UNKNOWN ATOM OR ION
著者DONG, A, ZHANG, Q, TEMPEL, W, Bountra, C, Arrowsmith, C.H, Edwards, A.M, TONG, Y, Structural Genomics Consortium (SGC)
登録日2016-04-25
公開日2016-05-04
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of the HAT domain of sart3
to be published
7O6E
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BU of 7o6e by Molmil
2.12 A cryo-EM structure of Mycobacterium tuberculosis Ferritin
分子名称: Ferritin BfrB
著者Gijsbers, A, Zhang, Y, Gao, Y, Peters, P.J, Ravelli, R.B.G.
登録日2021-04-10
公開日2021-05-19
最終更新日2024-07-10
実験手法ELECTRON MICROSCOPY (2.1 Å)
主引用文献Mycobacterium tuberculosis ferritin: a suitable workhorse protein for cryo-EM development.
Acta Crystallogr D Struct Biol, 77, 2021
7OAL
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BU of 7oal by Molmil
Crystal structure of pseudokinase CASK in complex with compound 25
分子名称: 1,2-ETHANEDIOL, 2-[[2,5-bis(bromanyl)-4-methyl-phenyl]methylamino]-4-(cyclohexylamino)-N-[3-(2-oxidanylidene-1,3-oxazolidin-3-yl)propyl]pyrimidine-5-carboxamide, Peripheral plasma membrane protein CASK
著者Chaikuad, A, Russ, N, Knapp, S, Structural Genomics Consortium (SGC)
登録日2021-04-19
公開日2021-05-19
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.17 Å)
主引用文献Design and Development of a Chemical Probe for Pseudokinase Ca 2+ /calmodulin-Dependent Ser/Thr Kinase.
J.Med.Chem., 64, 2021
4TT4
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BU of 4tt4 by Molmil
Crystal structure of ATAD2A bromodomain complexed with H3(1-21)K14Ac peptide
分子名称: ATPase family AAA domain-containing protein 2, CHLORIDE ION, Histone H3(1-21)K4Ac, ...
著者Poncet-Montange, G, Zhan, Y, Bardenhagen, J, Petrocchi, A, Leo, E, Shi, X, Lee, G, Leonard, P, Geck Do, M, Cardozo, M, Palmer, W, Andersen, J, Jones, P, Ladbury, J.
登録日2014-06-19
公開日2014-12-24
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Observed bromodomain flexibility reveals histone peptide- and small molecule ligand-compatible forms of ATAD2.
Biochem.J., 466, 2015
4RK1
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BU of 4rk1 by Molmil
Crystal structure of LacI family transcriptional regulator from Enterococcus faecium, Target EFI-512930, with bound ribose
分子名称: CHLORIDE ION, Ribose transcriptional regulator, alpha-D-ribofuranose
著者Patskovsky, Y, Toro, R, Bhosle, R, Al Obaidi, N, Chamala, S, Attonito, J.D, Scott Glenn, A, Chowdhury, S, Lafleur, J, Siedel, R.D, Hillerich, B, Love, J, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
登録日2014-10-11
公開日2014-10-29
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal Structure of LacI Transcriptional Regulator Rbsr from Enterococcus faecium, Target EFI-512930
To be Published
3S0O
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BU of 3s0o by Molmil
CDK2 in complex with inhibitor RC-1-138
分子名称: Cyclin-dependent kinase 2, [4-amino-2-(prop-2-en-1-ylamino)-1,3-thiazol-5-yl](pyridin-2-yl)methanone
著者Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E.
登録日2011-05-13
公開日2012-10-31
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Development of highly potent and selective diaminothiazole inhibitors of cyclin-dependent kinases.
J.Med.Chem., 56, 2013
5JM1
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BU of 5jm1 by Molmil
Structure of tetrameric jacalin complexed with a trisaccharide, Gal alpha-(1,3) Gal beta-(1,4) Gal
分子名称: 1,2-ETHANEDIOL, Agglutinin alpha chain, Agglutinin beta-3 chain, ...
著者Abhinav, K.V, Sharma, K, Surolia, A, Vijayan, M.
登録日2016-04-28
公開日2016-12-14
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Effect of linkage on the location of reducing and nonreducing sugars bound to jacalin.
IUBMB Life, 68, 2016
7OVO
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BU of 7ovo by Molmil
Heterodimeric murine tRNA-guanine transglycosylase in complex with queuine
分子名称: 2-amino-5-({[(1S,4S,5R)-4,5-dihydroxycyclopent-2-en-1-yl]amino}methyl)-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one, DIMETHYL SULFOXIDE, Queuine tRNA-ribosyltransferase accessory subunit 2, ...
著者Sebastiani, M, Heine, A, Reuter, K.
登録日2021-06-15
公開日2022-06-22
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural and Biochemical Investigation of the Heterodimeric Murine tRNA-Guanine Transglycosylase.
Acs Chem.Biol., 17, 2022
4RLB
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BU of 4rlb by Molmil
Crystal structure of Acinetobacter baumannii CarO2
分子名称: Carbapenem-associated resistance protein
著者Zahn, M, Basle, A, van den Berg, B.
登録日2014-10-16
公開日2015-04-22
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Small-Molecule Transport by CarO, an Abundant Eight-Stranded beta-Barrel Outer Membrane Protein from Acinetobacter baumannii.
J.Mol.Biol., 427, 2015
8BK4
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BU of 8bk4 by Molmil
Full length structure of the apo-state LpMIP.
分子名称: (1~{S},5~{S},6~{R})-10-[3,5-bis(chloranyl)phenyl]sulfonyl-5-(hydroxymethyl)-3-[(1~{S})-1-pyridin-2-ylethyl]-3,10-diazabicyclo[4.3.1]decan-2-one, GLYCEROL, Macrophage infectivity potentiator, ...
著者Whittaker, J.J, Guskov, A, Goretzki, B, Hellmich, U.A.
登録日2022-11-08
公開日2023-09-06
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.34 Å)
主引用文献Legionella pneumophila macrophage infectivity potentiator protein appendage domains modulate protein dynamics and inhibitor binding.
Int.J.Biol.Macromol., 252, 2023
4RLL
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BU of 4rll by Molmil
Crystal structure of human CK2alpha in complex with the ATP-competitive inhibitor 4-[(E)-(fluoren-9-ylidenehydrazinylidene)-methyl] benzoate
分子名称: 4-[(E)-(9H-fluoren-9-ylidenehydrazinylidene)methyl]benzoic acid, Casein kinase II subunit alpha, GLYCEROL
著者Guerra, B, Rasmussen, T.D.L, Schnitzler, A, Jensen, H.H, Boldyreff, B.S, Miyata, Y, Marcussen, N, Niefind, K, Issinger, O.G.
登録日2014-10-17
公開日2014-12-17
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Protein kinase CK2 inhibition is associated with the destabilization of HIF-1 alpha in human cancer cells.
Cancer Lett, 356, 2015
8BK5
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BU of 8bk5 by Molmil
A structure of the truncated LpMIP with bound inhibitor JK095.
分子名称: (1~{S},5~{S},6~{R})-10-[3,5-bis(chloranyl)phenyl]sulfonyl-5-(hydroxymethyl)-3-(pyridin-2-ylmethyl)-3,10-diazabicyclo[4.3.1]decan-2-one, Peptidyl-prolyl cis-trans isomerase, SODIUM ION
著者Whittaker, J.J, Guskov, A, Goretzki, B, Hellmich, U.A.
登録日2022-11-08
公開日2023-09-06
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.44 Å)
主引用文献Legionella pneumophila macrophage infectivity potentiator protein appendage domains modulate protein dynamics and inhibitor binding.
Int.J.Biol.Macromol., 252, 2023
4TQD
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BU of 4tqd by Molmil
Crystal Structure of the C-terminal domain of IFRS bound with 3-iodo-L-Phe and ATP
分子名称: 1,2-ETHANEDIOL, 3-iodo-L-phenylalanine, ADENOSINE-5'-TRIPHOSPHATE, ...
著者Nakamura, A, O'Donoghue, P, Soll, D.
登録日2014-06-11
公開日2014-11-12
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.1429 Å)
主引用文献Polyspecific pyrrolysyl-tRNA synthetases from directed evolution.
Proc.Natl.Acad.Sci.USA, 111, 2014
4TQV
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BU of 4tqv by Molmil
Crystal structure of a bacterial ABC transporter involved in the import of the acidic polysaccharide alginate
分子名称: AlgM1, AlgM2, AlgS
著者Maruyama, Y, Itoh, T, Kaneko, A, Nishitani, Y, Mikami, B, Hashimoto, W, Murata, K.
登録日2014-06-12
公開日2015-07-22
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (4.504 Å)
主引用文献Structure of a Bacterial ABC Transporter Involved in the Import of an Acidic Polysaccharide Alginate
Structure, 23, 2015

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