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6GMY
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BU of 6gmy by Molmil
Tc-DNA/RNA duplex
分子名称: RNA (5'-R(*GP*UP*AP*AP*GP*CP*CP*GP*AP*G)-3'), Tc-DNA (5'-(*(TCJ)P*(TTK)P*(TCJ)P*(TCS)P*(TCS)P*(TCJ)P*(TTK)P*(TTK)P*(TCY)P*(TCJ))-3')
著者Istrate, A, Johannsen, S, Istrate, A, Sigel, R.K.O, Leumann, C.
登録日2018-05-28
公開日2018-06-13
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献NMR solution structure of tricyclo-DNA containing duplexes: insight into enhanced thermal stability and nuclease resistance.
Nucleic Acids Res., 47, 2019
6GN5
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BU of 6gn5 by Molmil
CRYSTAL STRUCTURE OF HUMAN GRAMD1C START DOMAIN
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, GRAM domain-containing protein 1C
著者Friese, A, Vetter, I.R.
登録日2018-05-30
公開日2019-06-19
最終更新日2019-12-25
実験手法X-RAY DIFFRACTION (1.41 Å)
主引用文献The cholesterol transfer protein GRAMD1A regulates autophagosome biogenesis.
Nat.Chem.Biol., 15, 2019
1Z6Y
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BU of 1z6y by Molmil
Structure Of Human ADP-Ribosylation Factor-Like 5
分子名称: ADP-ribosylation factor-like protein 5, GUANOSINE-5'-DIPHOSPHATE
著者Choe, J, Atanassova, A, Arrowsmith, C, Edwards, A, Sundstrom, M, Bochkarev, A, Park, H, Structural Genomics Consortium (SGC)
登録日2005-03-23
公開日2005-04-05
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structure Of Human ADP-Ribosylation Factor-Like 5
To be Published
6GPI
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BU of 6gpi by Molmil
Tc-DNA/DNA duplex
分子名称: DNA (5'-D(*GP*TP*AP*AP*GP*CP*CP*GP*AP*G)-3'), tc-DNA (5'-D(*(TCJ)P*(TTK)P*(TCJ)P*(TCS)P*(TCS)P*(TCJ)P*(TTK)P*(TTK)P*(TCY)P*(TCJ))-3')
著者Istrate, A, Johannsen, S, Istrate, A, Sigel, R.K.O, Leumann, C.
登録日2018-06-05
公開日2018-06-13
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献NMR solution structure of tricyclo-DNA containing duplexes: insight into enhanced thermal stability and nuclease resistance.
Nucleic Acids Res., 47, 2019
6YXW
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BU of 6yxw by Molmil
Affimer K3 - KRAS protein complex
分子名称: Affimer K3, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ...
著者Trinh, C.H, Haza, K.Z, Rao, A, Martin, H.L, Tiede, C, Edwards, T.A, McPherson, M.J, Tomlinson, D.C.
登録日2020-05-04
公開日2020-07-08
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献RAS-inhibiting biologics identify and probe druggable pockets including an SII-alpha 3 allosteric site.
Nat Commun, 12, 2021
6GQT
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BU of 6gqt by Molmil
KRAS-169 Q61H GPPNHP + PPIN-2
分子名称: CITRIC ACID, GTPase KRas, MAGNESIUM ION, ...
著者Cruz-Migoni, A, Canning, P, Quevedo, C.E, Carr, S.B, Phillips, S.E.V, Rabbitts, T.H.
登録日2018-06-08
公開日2019-02-06
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献Structure-based development of new RAS-effector inhibitors from a combination of active and inactive RAS-binding compounds.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
6GR7
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BU of 6gr7 by Molmil
Crystal Structure Of Human Transthyretin in complex with 2,4,5-trichlorophenoxyacetic acid (2,4,5-T)
分子名称: 2-[2,4,5-tris(chloranyl)phenoxy]ethanoic acid, Transthyretin
著者Grundstrom, C, Zhang, J, Olofsson, A, Andersson, P.L, Sauer-Eriksson, A.E.
登録日2018-06-09
公開日2018-07-11
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Interspecies Variation between Fish and Human Transthyretins in Their Binding of Thyroid-Disrupting Chemicals.
Environ. Sci. Technol., 52, 2018
6SU4
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BU of 6su4 by Molmil
Crystal structure of the 48C12 heliorhodopsin in the blue form at pH 4.3
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 48C12 heliorhodopsin, ACETATE ION, ...
著者Kovalev, K, Volkov, D, Astashkin, R, Alekseev, A, Gushchin, I, Gordeliy, V.
登録日2019-09-12
公開日2019-12-11
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献High-resolution structural insights into the heliorhodopsin family.
Proc.Natl.Acad.Sci.USA, 117, 2020
1ZL0
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BU of 1zl0 by Molmil
Structure of Protein of Unknown Function PA5198 from Pseudomonas aeruginosa
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
著者Osipiuk, J, Evdokimova, E, Savchenko, A, Edwards, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
登録日2005-05-04
公開日2005-06-21
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献X-ray crystal structure of hypothetical protein PA5198 at 1.1 A resolution.
To be Published
5ERK
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BU of 5erk by Molmil
X-ray structure of horse spleen apoferritin (control)
分子名称: CADMIUM ION, CHLORIDE ION, Ferritin light chain, ...
著者Pontillo, N, Merlino, A.
登録日2015-11-14
公開日2016-03-02
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Cisplatin encapsulation within a ferritin nanocage: a high-resolution crystallographic study.
Chem.Commun.(Camb.), 52, 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
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
6GOD
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BU of 6god by Molmil
KRAS full length wild-type GPPNHP
分子名称: GLYCEROL, GTPase KRas, MAGNESIUM ION, ...
著者Cruz-Migoni, A, Quevedo, C.E, Carr, S.B, Ehebauer, M.T, Phillips, S.V.E, Rabbitts, T.H.
登録日2018-06-01
公開日2019-02-06
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.71 Å)
主引用文献Structure-based development of new RAS-effector inhibitors from a combination of active and inactive RAS-binding compounds.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
1Z83
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BU of 1z83 by Molmil
Crystal structure of human AK1A in complex with AP5A
分子名称: Adenylate kinase 1, BIS(ADENOSINE)-5'-PENTAPHOSPHATE, SULFATE ION, ...
著者Filippakopoulos, P, Bunkoczi, G, Jansson, A, Schreurs, A, Knapp, S, Edwards, A, von Delft, F, Sundstrom, M, Structural Genomics Consortium (SGC)
登録日2005-03-29
公開日2005-04-26
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structure of human AK1A in complex with AP5A
To be Published
4J1H
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BU of 4j1h by Molmil
CRYSTAL STRUCTURE OF BACE-1 IN COMPLEX WITH 5-Cyano-pyridine-2-carboxylic acid [3-((4S,6R)-2-amino-4-methyl-6-trifluoromethyl-5,6-dihydro-4H-[1,3]oxazin-4-yl)-4-fluoro-phenyl]-amide
分子名称: Beta-secretase 1, DIMETHYL SULFOXIDE, N-{3-[(4S,6R)-2-amino-4-methyl-6-(trifluoromethyl)-5,6-dihydro-4H-1,3-oxazin-4-yl]-4-fluorophenyl}-5-cyanopyridine-2-carboxamide, ...
著者Kuglstatter, A, Stihle, M.
登録日2013-02-01
公開日2013-05-01
最終更新日2017-11-15
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献beta-Secretase (BACE1) Inhibitors with High In Vivo Efficacy Suitable for Clinical Evaluation in Alzheimer s Disease
J.Med.Chem., 56, 2013
4J1K
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BU of 4j1k by Molmil
CRYSTAL STRUCTURE OF BACE-1 IN COMPLEX WITH 5-Cyano-pyridine-2-carboxylic acid [3-((4R,5R,6S)-2-amino-5-fluoro-4-methyl-6-trifluoromethyl-5,6-dihydro-4H-[1,3]oxazin-4-yl)-4-fluoro-phenyl]-amide
分子名称: Beta-secretase 1, DIMETHYL SULFOXIDE, N-{3-[(4R,5R,6S)-2-amino-5-fluoro-4-methyl-6-(trifluoromethyl)-5,6-dihydro-4H-1,3-oxazin-4-yl]-4-fluorophenyl}-5-cyanopyridine-2-carboxamide, ...
著者Kuglstatter, A, Stihle, M.
登録日2013-02-01
公開日2013-05-01
最終更新日2017-11-15
実験手法X-RAY DIFFRACTION (2.18 Å)
主引用文献beta-Secretase (BACE1) Inhibitors with High In Vivo Efficacy Suitable for Clinical Evaluation in Alzheimer s Disease
J.Med.Chem., 56, 2013
5H2M
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BU of 5h2m by Molmil
A three dimensional movie of structural changes in bacteriorhodopsin: structure obtained 13.8 us after photoexcitation
分子名称: 2,3-DI-PHYTANYL-GLYCEROL, Bacteriorhodopsin, DECANE, ...
著者Royant, A, Nango, E, Nakane, T, Tanaka, T, Arima, T, Neutze, R, Iwata, S.
登録日2016-10-15
公開日2016-12-21
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献A three-dimensional movie of structural changes in bacteriorhodopsin
Science, 354, 2016
7BXV
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BU of 7bxv by Molmil
11A1 antibody-peptide complex
分子名称: 1,2-ETHANEDIOL, Fab of the 11A1 antibody H chain, Fab of the 11A1 antibody L chain, ...
著者Irie, K, Irie, Y, Kita, A, Miki, K.
登録日2020-04-21
公開日2021-04-21
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献APOE epsilon 4 allele advances the age-dependent decline of amyloid beta clearance in the human cortex.
Biorxiv, 2022
1J5A
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BU of 1j5a by Molmil
STRUCTURAL BASIS FOR THE INTERACTION OF ANTIBIOTICS WITH THE PEPTIDYL TRANSFERASE CENTER IN EUBACTERIA
分子名称: 23S RRNA, CLARITHROMYCIN, MAGNESIUM ION, ...
著者Schluenzen, F, Zarivach, R, Harms, J, Bashan, A, Tocilj, A, Albrecht, R, Yonath, A, Franceschi, F.
登録日2002-03-06
公開日2002-03-08
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Structural basis for the interaction of antibiotics with the peptidyl transferase centre in eubacteria.
Nature, 413, 2001
6HOA
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BU of 6hoa by Molmil
TRANSCRIPTIONAL REPRESSOR ETHR FROM MYCOBACTERIUM TUBERCULOSIS IN COMPLEX WITH BDM44830
分子名称: 4-[2-(2-propylpyridin-4-yl)-1,3-thiazol-4-yl]-~{N}-[3,3,3-tris(fluoranyl)propyl]benzamide, GLYCEROL, HTH-type transcriptional regulator EthR
著者Wintjens, R, Wohlkonig, A.
登録日2018-09-17
公開日2018-12-26
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献A comprehensive analysis of the protein-ligand interactions in crystal structures of Mycobacterium tuberculosis EthR.
Biochim Biophys Acta Proteins Proteom, 1867, 2018
1ILK
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BU of 1ilk by Molmil
INTERLEUKIN-10 CRYSTAL STRUCTURE REVEALS THE FUNCTIONAL DIMER WITH AN UNEXPECTED TOPOLOGICAL SIMILARITY TO INTERFERON GAMMA
分子名称: INTERLEUKIN-10
著者Zdanov, A, Schalk-Hihi, C, Gustchina, A, Wlodawer, A.
登録日1995-04-21
公開日1995-07-10
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structure of interleukin-10 reveals the functional dimer with an unexpected topological similarity to interferon gamma.
Structure, 3, 1995
5BNL
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BU of 5bnl by Molmil
Deciphering the Mechanism of Carbonic Anhydrase Inhibition with Coumarins and Thiocoumarins
分子名称: (2E)-3-(2-HYDROXYPHENYL)ACRYLIC ACID, Carbonic anhydrase 2, MERCURY (II) ION, ...
著者Temperini, C, Maresca, A, Pochet, L, Masereel, B, Scozzafava, A, Supuran, C.T.
登録日2015-05-26
公開日2015-07-15
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Deciphering the mechanism of carbonic anhydrase inhibition with coumarins and thiocoumarins.
J.Med.Chem., 53, 2010
5H5B
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BU of 5h5b by Molmil
Citrate ion bound crystal structure of thymidylate kinase (aq_969) from Aquifex Aeolicus VF5
分子名称: CITRATE ANION, Thymidylate kinase
著者Biswas, A, Jeyakanthan, J, Sekar, K.
登録日2016-11-05
公開日2017-06-28
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Structural studies of a hyperthermophilic thymidylate kinase enzyme reveal conformational substates along the reaction coordinate
FEBS J., 284, 2017
5GN7
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BU of 5gn7 by Molmil
Crystal structure of alternative oxidase from Trypanosoma brucei brucei complexed with cumarin derivative-17
分子名称: 4-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-7,8-bis(oxidanyl)chromen-2-one, Alternative oxidase, mitochondrial, ...
著者Balogun, E.O, Inaoka, D.K, Shiba, T, Tsuge, T, May, B, Sato, T, Kido, Y, Takeshi, N, Aoki, T, Honma, T, Tanaka, A, Inoue, M, Matsuoka, S, Michels, P.A.M, Watanabe, Y, Moore, A.L, Harada, S, Kita, K.
登録日2016-07-19
公開日2017-07-26
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Discovery of trypanocidal coumarins with dual inhibition of both the glycerol kinase and alternative oxidase ofTrypanosoma brucei brucei.
Faseb J., 33, 2019
6HXZ
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BU of 6hxz by Molmil
Virus-like Particles based on Potato Virus Y
分子名称: Polyprotein
著者Podobnik, M, Kezar, A, Novacek, J.
登録日2018-10-18
公開日2019-08-07
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (4.1 Å)
主引用文献Structural basis for the multitasking nature of the potato virus Y coat protein.
Sci Adv, 5, 2019

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