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4IRI
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Auto-inhibited ERG Ets Domain-DNA Complex
分子名称: DNA (5'-D(*CP*CP*AP*CP*TP*TP*CP*CP*GP*GP*TP*C)-3'), DNA (5'-D(*GP*AP*CP*CP*GP*GP*AP*AP*GP*TP*GP*G)-3'), Transcriptional regulator ERG
著者Regan, M.C, Horanyi, P.S, Pryor, E.E, Sarver, J.L, Cafiso, D.S, Bushweller, J.H.
登録日2013-01-14
公開日2013-07-31
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.77 Å)
主引用文献Structural and dynamic studies of the transcription factor ERG reveal DNA binding is allosterically autoinhibited.
Proc.Natl.Acad.Sci.USA, 110, 2013
5FOG
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BU of 5fog by Molmil
Crystal structure of hte Cryptosporidium muris cytosolic leucyl-tRNA synthetase editing domain complex with a post-transfer editing analogue of norvaline (Nv2AA)
分子名称: 1,2-ETHANEDIOL, 2'-(L-NORVALYL)AMINO-2'-DEOXYADENOSINE, LEUCYL-TRNA SYNTHETASE, ...
著者Palencia, A, Liu, R.J, Lukarska, M, Gut, J, Bougdour, A, Touquet, B, Wang, E.D, Alley, M.R.K, Rosenthal, P.J, Hakimi, M.A, Cusack, S.
登録日2015-11-20
公開日2016-08-03
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Cryptosporidium and Toxoplasma Parasites are Inhibited by a Benzoxaborole Targeting Leucyl-tRNA Synthetase.
Antimicrob.Agents Chemother., 60, 2016
3CLD
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BU of 3cld by Molmil
Ligand binding domain of the glucocorticoid receptor complexed with fluticazone furoate
分子名称: (6alpha,11alpha,14beta,16alpha,17alpha)-6,9-difluoro-17-{[(fluoromethyl)sulfanyl]carbonyl}-11-hydroxy-16-methyl-3-oxoan drosta-1,4-dien-17-yl furan-2-carboxylate, Glucocorticoid receptor, Tif2 coactivator motif
著者Shewchuk, L.M, McLay, I, Stewart, E, Biggadike, K.B, Hassell, A.M, Bledsoe, R.K.
登録日2008-03-18
公開日2008-06-24
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.84 Å)
主引用文献X-ray crystal structure of the novel enhanced-affinity glucocorticoid agonist fluticasone furoate in the glucocorticoid receptor-ligand binding domain.
J.Med.Chem., 51, 2008
5LQB
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BU of 5lqb by Molmil
Complex structure of human IL2 mutant, Proleukin, with Fab fragment of NARA1 antibody
分子名称: Interleukin-2, anti-hIL2 FAB fragment heavy chain, anti-hIL2 FAB fragment light chain
著者Zou, C, Wirth, E.
登録日2016-08-16
公開日2016-12-14
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Improved cancer immunotherapy by a CD25-mimobody conferring selectivity to human interleukin-2.
Sci Transl Med, 8, 2016
1MX8
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BU of 1mx8 by Molmil
Two homologous rat cellular retinol-binding proteins differ in local structure and flexibility
分子名称: CELLULAR RETINOL-BINDING PROTEIN I, HOLO, RETINOL
著者Lu, J, Cistola, D.P, Li, E.
登録日2002-10-01
公開日2003-07-29
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Two homologous rat cellular retinol-binding proteins differ in local conformational flexibility.
J.Mol.Biol., 330, 2003
5FTU
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BU of 5ftu by Molmil
Tetrameric complex of Latrophilin 3, Unc5D and FLRT2
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, ADHESION G PROTEIN-COUPLED RECEPTOR L3, CALCIUM ION, ...
著者Jackson, V.A, Mehmood, S, Chavent, M, Roversi, P, Carrasquero, M, del Toro, D, Seyit-Bremer, G, Ranaivoson, F.M, Comoletti, D, Sansom, M.S.P, Robinson, C.V, Klein, R, Seiradake, E.
登録日2016-01-15
公開日2016-05-04
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (6.01 Å)
主引用文献Super-Complexes of Adhesion Gpcrs and Neural Guidance Receptors
Nat.Commun., 7, 2016
1N17
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BU of 1n17 by Molmil
Structure and Dynamics of Thioguanine-modified Duplex DNA
分子名称: 5'-D(*GP*CP*TP*AP*AP*GP*(S6G)P*AP*AP*AP*GP*CP*C)-3', 5'-D(*GP*GP*CP*TP*TP*TP*CP*CP*TP*TP*AP*GP*C)-3'
著者Somerville, L, Krynetski, E.Y, Krynetskaia, N.F, Beger, R.D, Zhang, W, Marhefka, C.A, Evans, W.E, Kriwacki, R.W.
登録日2002-10-16
公開日2002-10-23
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Structure and dynamics of thioguanine-modified duplex DNA
J.Biol.Chem., 278, 2003
5LKB
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BU of 5lkb by Molmil
Crystal structure of the Xi glutathione transferase ECM4 from Saccharomyces cerevisiae
分子名称: GLYCEROL, Glutathione S-transferase omega-like 2
著者Schwartz, M, Didierjean, C, Hecker, A, Girardet, J.M, Morel-Rouhier, M, Gelhaye, E, Favier, F.
登録日2016-07-22
公開日2016-10-26
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Crystal Structure of Saccharomyces cerevisiae ECM4, a Xi-Class Glutathione Transferase that Reacts with Glutathionyl-(hydro)quinones.
Plos One, 11, 2016
5LKX
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BU of 5lkx by Molmil
Crystal structure of the p300 acetyltransferase catalytic core with propionyl-coenzyme A.
分子名称: DIMETHYL SULFOXIDE, GLYCEROL, Histone acetyltransferase p300,Histone acetyltransferase p300, ...
著者Kaczmarska, Z, Ortega, E, Marquez, J.A, Panne, D.
登録日2016-07-25
公開日2016-11-02
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.52 Å)
主引用文献Structure of p300 in complex with acyl-CoA variants.
Nat. Chem. Biol., 13, 2017
4DAJ
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BU of 4daj by Molmil
Structure of the M3 Muscarinic Acetylcholine Receptor
分子名称: (1R,2R,4S,5S,7S)-7-{[hydroxy(dithiophen-2-yl)acetyl]oxy}-9,9-dimethyl-3-oxa-9-azoniatricyclo[3.3.1.0~2,4~]nonane, Muscarinic acetylcholine receptor M3, Lysozyme, ...
著者Kruse, A.C, Hu, J, Pan, A.C, Arlow, D.H, Rosenbaum, D.M, Rosemond, E, Green, H.F, Liu, T, Chae, P.S, Dror, R.O, Shaw, D.E, Weis, W.I, Wess, J, Kobilka, B.
登録日2012-01-12
公開日2012-02-22
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (3.4 Å)
主引用文献Structure and dynamics of the M3 muscarinic acetylcholine receptor.
Nature, 482, 2012
5F9E
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BU of 5f9e by Molmil
Structure of Protein Kinase C theta with compound 10: 2,2-dimethyl-7-(2-oxidanylidene-3~{H}-imidazo[4,5-b]pyridin-1-yl)-1-(phenylmethyl)-3~{H}-quinazolin-4-one
分子名称: 2,2-dimethyl-7-(2-oxidanylidene-3~{H}-imidazo[4,5-b]pyridin-1-yl)-1-(phenylmethyl)-3~{H}-quinazolin-4-one, Protein kinase C theta type
著者Klein, M.
登録日2015-12-09
公開日2016-05-11
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Discovery and optimization of 1,7-disubstituted-2,2-dimethyl-2,3-dihydroquinazolin-4(1H)-ones as potent and selective PKC theta inhibitors.
Bioorg.Med.Chem., 24, 2016
5LXQ
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BU of 5lxq by Molmil
Structure of PRL-1 in complex with the Bateman domain of CNNM2
分子名称: ADENOSINE-5'-TRIPHOSPHATE, Metal transporter CNNM2, Protein tyrosine phosphatase type IVA 1, ...
著者GIMENEZ-Mascarell, P, Oyenarte, I, Hardy, S, Breiderhoff, T, Stuiver, M, Kostantin, E, Diercks, T, Pey, A.L, Ereno-ORBEA, J, Martinez-Chantar, M.L, Khalaf-Nazzal, R, Claverie-Martin, F, Muller, D, Tremblay, M, Martinez-Cruz, L.A.
登録日2016-09-22
公開日2016-12-07
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (3.335 Å)
主引用文献Structural Basis of the Oncogenic Interaction of Phosphatase PRL-1 with the Magnesium Transporter CNNM2.
J. Biol. Chem., 292, 2017
2O4D
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BU of 2o4d by Molmil
Crystal Structure of a hypothetical protein from Pseudomonas aeruginosa
分子名称: Hypothetical protein PA0269
著者McGrath, T.E, Battaile, K, Kisselman, G, Romanov, V, Wu-Brown, J, Virag, C, Ng, I, Kimber, M, Edwards, A.M, Pai, E.F, Chirgadze, N.Y.
登録日2006-12-04
公開日2007-01-30
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Crystal Structure of a hypothetical protein from Pseudomonas aeruginosa
To be Published
6APK
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BU of 6apk by Molmil
Trans-acting transferase from Disorazole synthase solved by serial femtosecond XFEL crystallography
分子名称: DisD protein
著者Lyubimov, A.Y, Mathews, I.I, Uervivojnangkoorn, M, Khosla, C, Soltis, S.M, Cohen, A.E.
登録日2017-08-17
公開日2018-04-04
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献The Conformational Flexibility of the Acyltransferase from the Disorazole Polyketide Synthase Is Revealed by an X-ray Free-Electron Laser Using a Room-Temperature Sample Delivery Method for Serial Crystallography.
Biochemistry, 56, 2017
5FB2
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BU of 5fb2 by Molmil
S. aureus MepR F27L Mutant bound to oligodeoxyribonucleotide
分子名称: DNA (5'-D(*CP*GP*TP*TP*A)-3'), GLYCEROL, MarR family regulatory protein
著者Birukou, I, Newman, C.E, Brennan, R.G.
登録日2015-12-13
公開日2016-12-14
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献S. aureus MepR F27L Mutant bound to oligodeoxyribonucleotide
To Be Published
2AUU
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BU of 2auu by Molmil
Inorganic pyrophosphatase complexed with magnesium pyrophosphate and fluoride
分子名称: CHLORIDE ION, FLUORIDE ION, MAGNESIUM ION, ...
著者Samygina, V.R, Popov, A.N, Avaeva, S.M, Bartunik, H.D.
登録日2005-08-29
公開日2006-08-29
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.22 Å)
主引用文献Reversible inhibition of Escherichia coli inorganic pyrophosphatase by fluoride: trapped catalytic intermediates in cryo-crystallographic studies
J.Mol.Biol., 366, 2007
2O7A
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BU of 2o7a by Molmil
T4 lysozyme C-terminal fragment
分子名称: ACETATE ION, CHLORIDE ION, Lysozyme
著者Echols, N, Kwon, E, Marqusee, S.M, Alber, T.
登録日2006-12-10
公開日2007-04-10
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (0.84 Å)
主引用文献Exploring subdomain cooperativity in T4 lysozyme I: Structural and energetic studies of a circular permutant and protein fragment.
Protein Sci., 16, 2007
8AQT
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BU of 8aqt by Molmil
Beta SARS-CoV-2 Spike bound to mouse ACE2 (local)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2,Ig gamma-2A chain C region, ...
著者Lau, K, Ni, D, Beckert, B, Nazarov, S, Myasnikov, A, Pojer, F, Stahlberg, H, Uchikawa, E.
登録日2022-08-13
公開日2023-03-01
最終更新日2023-04-19
実験手法ELECTRON MICROSCOPY (4.4 Å)
主引用文献Cryo-EM structures and binding of mouse and human ACE2 to SARS-CoV-2 variants of concern indicate that mutations enabling immune escape could expand host range.
Plos Pathog., 19, 2023
5LRS
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BU of 5lrs by Molmil
The Transcriptional Regulator PrfA from Listeria Monocytogenes in complex with glutathione and a 30-bp operator PrfA-box motif
分子名称: DNA (30-MER), GLUTATHIONE, Listeriolysin positive regulatory factor A
著者Hall, M, Grundstrom, C, Begum, A, Lindberg, M, Sauer, U.H, Almqvist, F, Johansson, J, Sauer-Eriksson, A.E.
登録日2016-08-19
公開日2016-12-07
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structural basis for glutathione-mediated activation of the virulence regulatory protein PrfA in Listeria.
Proc. Natl. Acad. Sci. U.S.A., 113, 2016
1MY0
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BU of 1my0 by Molmil
crystal titration experiments (AMPA co-crystals soaked in 100 nM BrW)
分子名称: GLUTAMATE RECEPTOR 2, ZINC ION
著者Jin, R, Gouaux, E.
登録日2002-10-03
公開日2003-06-10
最終更新日2017-08-23
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Probing the Function, Conformational Plasticity, and Dimer-Dimer Contacts of the GluR2 Ligand-Binding Core: Studies of 5-Substituted Willardiines and GluR2 S1S2 in the Crystal
Biochemistry, 42, 2003
7LTT
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BU of 7ltt by Molmil
SAMHD1(113-626) H206R D207N R366C
分子名称: 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, MAGNESIUM ION
著者Temple, J.T, Bowen, N.E.
登録日2021-02-20
公開日2021-11-24
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural and functional characterization explains loss of dNTPase activity of the cancer-specific R366C/H mutant SAMHD1 proteins.
J.Biol.Chem., 297, 2021
7LIR
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BU of 7lir by Molmil
Structure of the invertebrate ALK GRD
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ALK tyrosine kinase receptor homolog scd-2, ...
著者Stayrook, S, Li, T, Klein, D.E.
登録日2021-01-27
公開日2021-11-24
最終更新日2021-12-15
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural basis for ligand reception by anaplastic lymphoma kinase.
Nature, 600, 2021
1D46
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DNA DODECAMER C-G-C-G-A-A-T-T-C-G-C-G/HOECHST 33258 COMPLEX:-100 DEGREES C, PIPERAZINE DOWN
分子名称: 2'-(4-HYDROXYPHENYL)-5-(4-METHYL-1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE, DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3'), MAGNESIUM ION
著者Quintana, J.R, Lipanov, A.A, Dickerson, R.E.
登録日1991-06-04
公開日1992-04-15
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Low-temperature crystallographic analyses of the binding of Hoechst 33258 to the double-helical DNA dodecamer C-G-C-G-A-A-T-T-C-G-C-G.
Biochemistry, 30, 1991
8AQU
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BA.1 SARS-CoV-2 Spike bound to mouse ACE2 (local)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2,Ig gamma-2A chain C region, ...
著者Lau, K, Ni, D, Beckert, B, Nazarov, S, Myasnikov, A, Pojer, F, Stahlberg, H, Uchikawa, E.
登録日2022-08-13
公開日2023-03-01
最終更新日2023-04-19
実験手法ELECTRON MICROSCOPY (3.22 Å)
主引用文献Cryo-EM structures and binding of mouse and human ACE2 to SARS-CoV-2 variants of concern indicate that mutations enabling immune escape could expand host range.
Plos Pathog., 19, 2023
8AQV
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BA.2.12.1 SARS-CoV-2 Spike bound to mouse ACE2 (local)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2,Ig gamma-2A chain C region, ...
著者Lau, K, Ni, D, Beckert, B, Nazarov, S, Myasnikov, A, Pojer, F, Stahlberg, H, Uchikawa, E.
登録日2022-08-13
公開日2023-03-01
最終更新日2023-04-19
実験手法ELECTRON MICROSCOPY (2.96 Å)
主引用文献Cryo-EM structures and binding of mouse and human ACE2 to SARS-CoV-2 variants of concern indicate that mutations enabling immune escape could expand host range.
Plos Pathog., 19, 2023

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