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1NXT
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BU of 1nxt by Molmil
MicArec pH 4.0
分子名称: DNA-binding response regulator, XENON
著者Bent, C.J, Isaacs, N.W, Mitchell, T.J, Riboldi-Tunnicliffe, A.
登録日2003-02-11
公開日2004-02-17
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.34 Å)
主引用文献Crystal structure of the response regulator 02 receiver domain, the essential YycF two-component system of Streptococcus pneumoniae in both complexed and native states.
J.Bacteriol., 186, 2004
8QMO
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BU of 8qmo by Molmil
Cryo-EM structure of the benzo[a]pyrene-bound Hsp90-XAP2-AHR complex
分子名称: ADENOSINE-5'-DIPHOSPHATE, AH receptor-interacting protein, Aryl hydrocarbon receptor, ...
著者Kwong, H.S, Grandvuillemin, L, Sirounian, S, Ancelin, A, Lai-Kee-Him, J, Carivenc, C, Lancey, C, Ragan, T.J, Hesketh, E.L, Bourguet, W, Gruszczyk, J.
登録日2023-09-24
公開日2024-01-10
最終更新日2024-02-28
実験手法ELECTRON MICROSCOPY (2.76 Å)
主引用文献Structural Insights into the Activation of Human Aryl Hydrocarbon Receptor by the Environmental Contaminant Benzo[a]pyrene and Structurally Related Compounds.
J.Mol.Biol., 436, 2024
2CLZ
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BU of 2clz by Molmil
Mhc Class I Natural Mutant H-2Kbm8 Heavy Chain Complexed With beta-2 Microglobulin and pBM1 peptide
分子名称: BETA-2 MICROGLOBULIN, H-2 CLASS I HISTOCOMPATIBILITY ANTIGEN, K-B ALPHA CHAIN, ...
著者Mazza, C, Auphan-Anezin, N, Guimezanes, A, Barrett-Wilt, G.A, Montero-Julian, F, Roussel, A, Hunt, D.F, Schmitt-Verhulst, A.M, Malissen, B.
登録日2006-05-03
公開日2006-06-14
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Distinct Orientation of the Alloreactive Monoclonal Cd8 T Cell Activation Program by Three Different Peptide/Mhc Complexes.
Eur.J.Immunol., 36, 2006
5DXT
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BU of 5dxt by Molmil
p110alpha with GDC-0326
分子名称: (2S)-2-({2-[1-(propan-2-yl)-1H-1,2,4-triazol-5-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl}oxy)propanamide, 1,2-ETHANEDIOL, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
著者Heffron, T.P, Heald, R.A, Ndubaku, C, Wei, B.Q, Augustin, M, Do, S, Edgar, K, Eigenbrot, C, Friedman, L, Gancia, E, Jackson, P.S, Jones, G, Kolesnikov, A, Lee, L.B, Lesnick, J.D, Lewis, C, McLean, N, Mortle, M, Nonomiya, J, Pang, J, Price, S, Prior, W.W, Salphati, L, Sideris, S, Staben, S.T, Steinbacher, S, Tsui, V, Wallin, J, Sampath, D, Olivero, A.
登録日2015-09-23
公開日2016-01-27
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献The Rational Design of Selective Benzoxazepin Inhibitors of the alpha-Isoform of Phosphoinositide 3-Kinase Culminating in the Identification of (S)-2-((2-(1-Isopropyl-1H-1,2,4-triazol-5-yl)-5,6-dihydrobenzo[f]imidazo[1,2-d][1,4]oxazepin-9-yl)oxy)propanamide (GDC-0326).
J.Med.Chem., 59, 2016
1MC7
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BU of 1mc7 by Molmil
Solution Structure of mDvl1 PDZ domain
分子名称: Segment polarity protein dishevelled homolog DVL-1
著者Wong, H.-C, Bourdelas, A, Shao, Y, Wu, D, Shi, D.L, Zheng, J.
登録日2002-08-05
公開日2003-09-23
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Direct binding of the PDZ domain of Dishevelled to a conserved internal sequence in the C-terminal region of Frizzled
Mol.Cell, 12, 2003
8QG0
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BU of 8qg0 by Molmil
Archaeoglobus fulgidus AfAgo complex with AfAgo-N protein (fAfAgo) bound with 17 nt RNA guide and 17 nt DNA target
分子名称: AfAgo-N protein, DNA target 17 nt, Piwi protein, ...
著者Manakova, E.N, Zaremba, M, Pocevicuite, R, Golovinas, E, Zagorskaite, E, Silanskas, A.
登録日2023-09-05
公開日2024-01-24
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (3.43 Å)
主引用文献The missing part: the Archaeoglobus fulgidus Argonaute forms a functional heterodimer with an N-L1-L2 domain protein.
Nucleic Acids Res., 52, 2024
4NE5
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BU of 4ne5 by Molmil
Human MHF1-MHF2 complex
分子名称: Centromere protein S, Centromere protein X
著者Zhao, Q, Saro, D, Sachpatzidis, A, Sung, P, Xiong, Y.
登録日2013-10-28
公開日2013-12-25
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献The MHF complex senses branched DNA by binding a pair of crossover DNA duplexes.
Nat Commun, 5, 2014
4DYM
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BU of 4dym by Molmil
Crystal structure of the ACVR1 kinase domain in complex with the imidazo[1,2-b]pyridazine inhibitor K00135
分子名称: 1-(3-{6-[(CYCLOPROPYLMETHYL)AMINO]IMIDAZO[1,2-B]PYRIDAZIN-3-YL}PHENYL)ETHANONE, Activin receptor type-1, GLYCEROL, ...
著者Chaikuad, A, Sanvitale, C, Cooper, C, Canning, P, Mahajan, P, Daga, N, Petrie, K, Alfano, I, Gileadi, O, Fedorov, O, Krojer, T, Filippakopoulos, P, Muniz, J.R.C, von Delft, F, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A, Structural Genomics Consortium (SGC)
登録日2012-02-29
公開日2012-03-21
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.42 Å)
主引用文献Crystal structure of the ACVR1 kinase domain in complex with the imidazo[1,2-b]pyridazine inhibitor K00135
To be Published
8VE9
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BU of 8ve9 by Molmil
IsPETase - ACCCETN mutant - CombiPETase
分子名称: CHLORIDE ION, GLYCEROL, Poly(ethylene terephthalate) hydrolase
著者Joho, Y, Royan, S, Newton, S, Caputo, A.T, Ardevol Grau, A, Jackson, C.
登録日2023-12-18
公開日2024-06-19
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Enhancing PET Degrading Enzymes: A Combinatory Approach.
Chembiochem, 25, 2024
2HZQ
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BU of 2hzq by Molmil
Crystal structure of human apolipoprotein D (ApoD) in complex with progesterone
分子名称: Apolipoprotein D, PROGESTERONE
著者Eichinger, A, Skerra, A.
登録日2006-08-09
公開日2007-08-14
最終更新日2021-10-20
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural insight into the dual ligand specificity and mode of high density lipoprotein association of apolipoprotein d.
J.Biol.Chem., 282, 2007
5CVR
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BU of 5cvr by Molmil
Crystal structure of FNR of A. fischeri in a partially degraded form
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, FE2/S2 (INORGANIC) CLUSTER, FNR type regulator
著者Volbeda, A, Fontecilla-Camps, J.C.
登録日2015-07-27
公開日2015-12-16
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献The crystal structure of the global anaerobic transcriptional regulator FNR explains its extremely fine-tuned monomer-dimer equilibrium.
Sci Adv, 1, 2015
3L3J
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BU of 3l3j by Molmil
Crystal structure of HLA-B*4402 in complex with the F3A/R5A double mutant of a self-peptide derived from DPA*0201
分子名称: ACETATE ION, Beta-2-microglobulin, HLA class I histocompatibility antigen, ...
著者Theodossis, A, Ely, L.K, Rossjohn, J.
登録日2009-12-17
公開日2010-03-16
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Constraints within major histocompatibility complex class I restricted peptides: presentation and consequences for T-cell recognition
Proc.Natl.Acad.Sci.USA, 107, 2010
3L3D
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BU of 3l3d by Molmil
Crystal structure of HLA-B*4402 in complex with the F3A mutant of a self-peptide derived from DPA*0201
分子名称: ACETATE ION, Beta-2-microglobulin, GLYCEROL, ...
著者Theodossis, A, Ely, L.K, Rossjohn, J.
登録日2009-12-16
公開日2010-03-16
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Constraints within major histocompatibility complex class I restricted peptides: presentation and consequences for T-cell recognition
Proc.Natl.Acad.Sci.USA, 107, 2010
3KRQ
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BU of 3krq by Molmil
Crystal structure of the complex of lactoperoxidase with a potent inhibitor amino-triazole at 2.2a resolution
分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 3-AMINO-1,2,4-TRIAZOLE, ...
著者Singh, A.K, Singh, N, Sinha, M, Kushwaha, G.S, Kaur, P, Srinivasan, A, Sharma, S, Singh, T.P.
登録日2009-11-19
公開日2010-05-26
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献First structural evidence for the mode of diffusion of aromatic ligands and ligand-induced closure of the hydrophobic channel in heme peroxidases
J.Biol.Inorg.Chem., 15, 2010
5D7U
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BU of 5d7u by Molmil
Crystal structure of the C-terminal domain of MMTV integrase
分子名称: ISOPROPYL ALCOHOL, Pr160
著者Cook, N.J, Pye, V.E, Ballandras-Colas, A, Engelman, A, Cherepanov, P.
登録日2015-08-14
公開日2016-02-17
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Cryo-EM reveals a novel octameric integrase structure for betaretroviral intasome function.
Nature, 530, 2016
3KXO
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BU of 3kxo by Molmil
An orally active inhibitor bound at the active site of HPGDS
分子名称: 6-(3-fluorophenyl)-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyridine-3-carboxamide, GLUTATHIONE, Glutathione-requiring prostaglandin D synthase, ...
著者Kiefer, J.R, Day, J.E, Thorarensen, A.
登録日2009-12-03
公開日2010-09-01
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Discovery of an oral potent selective inhibitor of hematopoietic prostaglandin D synthase
TO BE PUBLISHED
4NR9
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BU of 4nr9 by Molmil
Crystal Structure of the bromodomain of human BAZ2B in complex with acetylated lysine
分子名称: 1,2-ETHANEDIOL, Bromodomain adjacent to zinc finger domain protein 2B, N(6)-ACETYLLYSINE
著者Chaikuad, A, Felletar, I, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
登録日2013-11-26
公開日2013-12-25
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Targeting low-druggability bromodomains: fragment based screening and inhibitor design against the BAZ2B bromodomain.
J.Med.Chem., 56, 2013
3L3K
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BU of 3l3k by Molmil
Crystal structure of HLA-B*4402 in complex with the R5A/F7A double mutant of a self-peptide derived from DPA*0201
分子名称: Beta-2-microglobulin, GLYCEROL, HLA class I histocompatibility antigen, ...
著者Theodossis, A, Ely, L.K, Rossjohn, J.
登録日2009-12-17
公開日2010-03-16
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Constraints within major histocompatibility complex class I restricted peptides: presentation and consequences for T-cell recognition
Proc.Natl.Acad.Sci.USA, 107, 2010
1QYG
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BU of 1qyg by Molmil
ANTI-COCAINE ANTIBODY M82G2 COMPLEXED WITH BENZOYLECGONINE
分子名称: 3-(BENZOYLOXY)-8-METHYL-8-AZABICYCLO[3.2.1]OCTANE-2-CARBOXYLIC ACID, FAB M82G2, HEAVY CHAIN, ...
著者Pozharski, E, Hewagama, A, Shanafelt, A, Petsko, G, Ringe, D.
登録日2003-09-10
公開日2003-09-23
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献Diversity in hapten recognition: structural study of an anti-cocaine antibody M82G2.
J.Mol.Biol., 349, 2005
3LQB
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BU of 3lqb by Molmil
Crystal structure of the hatching enzyme ZHE1 from the zebrafish Danio rerio
分子名称: 1,2-ETHANEDIOL, LOC792177 protein, SULFATE ION, ...
著者Tanokura, M, Okada, A, Nagata, K, Yasumasu, S, Ohtsuka, J, Iuchi, I.
登録日2010-02-08
公開日2010-09-08
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Crystal structure of zebrafish hatching enzyme 1 from the zebrafish Danio rerio
J.Mol.Biol., 402, 2010
4DYL
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BU of 4dyl by Molmil
F-BAR domain of human FES tyrosine kinase
分子名称: Tyrosine-protein kinase Fes/Fps
著者Ugochukwu, E, Salah, E, Elkins, J, Barr, A, Krojer, T, Filippakopoulos, P, Weigelt, J, Arrowsmith, C.H, Edwards, A, Bountra, C, von Delft, F, Knapp, S, Structural Genomics Consortium (SGC)
登録日2012-02-29
公開日2012-04-04
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.18 Å)
主引用文献F-BAR domain of human FES tyrosine kinase
TO BE PUBLISHED
6CUI
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BU of 6cui by Molmil
Solution structure of the Extraterminal (ET) Domain of BRD2
分子名称: Bromodomain-containing protein 2
著者Houliston, S, Lemak, A, Picaud, S, Filippakopoulos, P, Arrowsmith, C.H.
登録日2018-03-26
公開日2019-03-06
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Solution structure of the Extraterminal (ET) Domain of BRD2
To Be Published
2AV9
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BU of 2av9 by Molmil
Crystal Structure of the PA5185 protein from Pseudomonas Aeruginosa Strain PAO1.
分子名称: SULFATE ION, Thioesterase
著者Chruszcz, M, Wang, S, Cymborowski, M, Kudritska, M, Evdokimova, E, Edwards, A, Savchenko, A, Joachimiak, A, Minor, W, Midwest Center for Structural Genomics (MCSG)
登録日2005-08-29
公開日2005-10-18
最終更新日2022-04-13
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Function-biased choice of additives for optimization of protein crystallization - the case of the putative thioesterase PA5185 from Pseudomonas aeruginosa PAO1.
Cryst.Growth Des., 8, 2008
8POG
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BU of 8pog by Molmil
Cryo-EM structure of Enterobacter sp. 638 BcsD
分子名称: BcsD of Enterobacter sp. 638
著者Notopoulou, A, Krasteva, P.V.
登録日2023-07-04
公開日2023-12-20
最終更新日2024-01-24
実験手法ELECTRON MICROSCOPY (4.15 Å)
主引用文献Structures and roles of BcsD and partner scaffold proteins in proteobacterial cellulose secretion.
Curr.Biol., 34, 2024
3LWM
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BU of 3lwm by Molmil
Structure of the large fragment of thermus aquaticus DNA polymerase I in complex with a blunt-ended DNA and ddATP
分子名称: 2',3'-dideoxyadenosine triphosphate, ACETATE ION, DNA (5'-D(*GP*AP*CP*CP*AP*CP*GP*GP*CP*GP*CP*(2DA))-3'), ...
著者Marx, A, Diederichs, K, Obeid, S.
登録日2010-02-24
公開日2010-05-05
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.186 Å)
主引用文献Replication through an abasic DNA lesion: structural basis for adenine selectivity
Embo J., 29, 2010

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