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8BQS
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BU of 8bqs by Molmil
Cryo-EM structure of the I-II-III2-IV2 respiratory supercomplex from Tetrahymena thermophila
分子名称: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2 iron, ...
著者Muhleip, A, Kock Flygaard, R, Baradaran, R, Amunts, A.
登録日2022-11-21
公開日2023-08-23
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Structural basis of mitochondrial membrane bending by I-II-III2-IV2 supercomplex
To Be Published
6VCL
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BU of 6vcl by Molmil
Crystal structure of E.coli RppH-DapF in complex with pppGpp, Mg2+ and F-
分子名称: CHLORIDE ION, Diaminopimelate epimerase, FLUORIDE ION, ...
著者Gao, A, Vasilyev, N, Kaushik, A, Duan, W, Serganov, A.
登録日2019-12-21
公開日2020-02-05
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献Principles of RNA and nucleotide discrimination by the RNA processing enzyme RppH.
Nucleic Acids Res., 48, 2020
6VCR
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BU of 6vcr by Molmil
Crystal structure of E.coli RppH in complex with CTP
分子名称: CYTIDINE-5'-TRIPHOSPHATE, PYROPHOSPHATE, RNA pyrophosphohydrolase, ...
著者Gao, A, Vasilyev, N, Kaushik, A, Duan, W, Serganov, A.
登録日2019-12-21
公開日2020-02-05
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Principles of RNA and nucleotide discrimination by the RNA processing enzyme RppH.
Nucleic Acids Res., 48, 2020
7TBL
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BU of 7tbl by Molmil
Composite structure of the human nuclear pore complex (NPC) cytoplasmic face generated with a 12A cryo-ET map of the purified HeLa cell NPC
分子名称: DDX19, ELYS, GLE1, ...
著者Bley, C.J, Nie, S, Mobbs, G.W, Petrovic, S, Gres, A.T, Liu, X, Mukherjee, S, Harvey, S, Huber, F.M, Lin, D.H, Brown, B, Tang, A.W, Rundlet, E.J, Correia, A.R, Chen, S, Regmi, S.G, Stevens, T.A, Jette, C.A, Dasso, M, Patke, A, Palazzo, A.F, Kossiakoff, A.A, Hoelz, A.
登録日2021-12-22
公開日2022-06-22
最終更新日2022-06-29
実験手法ELECTRON MICROSCOPY (23 Å)
主引用文献Architecture of the cytoplasmic face of the nuclear pore.
Science, 376, 2022
7SQ1
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BU of 7sq1 by Molmil
BG505.MD39TS Env trimer in complex with Fab from antibody C05
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, C05 Fab Light chain, ...
著者Moore, A, Du, J, Xu, Z, Walker, S, Kulp, D.W, Pallesen, J.
登録日2021-11-04
公開日2022-06-22
最終更新日2022-12-07
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Induction of tier-2 neutralizing antibodies in mice with a DNA-encoded HIV envelope native like trimer.
Nat Commun, 13, 2022
5X1B
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BU of 5x1b by Molmil
CO bound cytochrome c oxidase at 20 nsec after pump laser irradiation to release CO from O2 reduction center
分子名称: (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(STEAROYLOXY)METHYL]ETHYL (5E,8E,11E,14E)-ICOSA-5,8,11,14-TETRAENOATE, (7R,17E,20E)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSA-17,20-DIEN-1-AMINIUM 4-OXIDE, ...
著者Shimada, A, Kubo, M, Baba, S, Yamashita, K, Hirata, K, Ueno, G, Nomura, T, Kimura, T, Shinzawa-Itoh, K, Baba, J, Hatano, K, Eto, Y, Miyamoto, A, Murakami, H, Kumasaka, T, Owada, S, Tono, K, Yabashi, M, Yamaguchi, Y, Yanagisawa, S, Sakaguchi, M, Ogura, T, Komiya, R, Yan, J, Yamashita, E, Yamamoto, M, Ago, H, Yoshikawa, S, Tsukihara, T.
登録日2017-01-25
公開日2017-08-09
最終更新日2017-12-06
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献A nanosecond time-resolved XFEL analysis of structural changes associated with CO release from cytochrome c oxidase.
Sci Adv, 3, 2017
4XQW
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BU of 4xqw by Molmil
X-ray structure analysis of xylanase-N44E with MES at pH6.0
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Endo-1,4-beta-xylanase 2, IODIDE ION
著者Wan, Q, Park, J.M, Riccardi, D.M, Hanson, L.B, Fisher, Z, Smith, J.C, Ostermann, A, Schrader, T, Graham, D.E, Coates, L, Langan, P, Kovalevsky, A.Y.
登録日2015-01-20
公開日2015-09-23
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Direct determination of protonation states and visualization of hydrogen bonding in a glycoside hydrolase with neutron crystallography.
Proc.Natl.Acad.Sci.USA, 112, 2015
6HZF
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BU of 6hzf by Molmil
BP0997, GH138 enzyme targeting pectin rhamnogalacturonan II
分子名称: BPa0997, SERINE, SODIUM ION
著者Basle, A, Cartmell, A, Labourel, A, Gilbert, H.
登録日2018-10-23
公開日2019-03-20
最終更新日2019-05-22
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structural and functional analyses of glycoside hydrolase 138 enzymes targeting chain A galacturonic acid in the complex pectin rhamnogalacturonan II.
J.Biol.Chem., 294, 2019
5WBE
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BU of 5wbe by Molmil
COX-1:MOFEZOLAC COMPLEX STRUCTURE
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Mofezolac, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Cingolani, G, Panella, A, Perrone, M.G, Vitale, P, Smith, W.L, Scilimati, A.
登録日2017-06-28
公開日2017-07-26
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Structural basis for selective inhibition of Cyclooxygenase-1 (COX-1) by diarylisoxazoles mofezolac and 3-(5-chlorofuran-2-yl)-5-methyl-4-phenylisoxazole (P6).
Eur J Med Chem, 138, 2017
5A6Y
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BU of 5a6y by Molmil
Structure of the LecB lectin from Pseudomonas aeruginosa strain PA14 in complex with mannose-alpha1,3mannoside
分子名称: CALCIUM ION, FUCOSE-BINDING LECTIN PA-IIL, GLYCEROL, ...
著者Sommer, R, Wagner, S, Varrot, A, Khaledi, A, Haussler, S, Imberty, A, Titz, A.
登録日2015-07-02
公開日2016-05-25
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献The virulence factor LecB varies in clinical isolates: consequences for ligand binding and drug discovery.
Chem Sci, 7, 2016
5Y8N
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BU of 5y8n by Molmil
Mycobacterium tuberculosis 3-Hydroxyisobutyrate dehydrogenase (MtHIBADH) + NAD + L-serine
分子名称: (2~{S})-2-methylpentanedioic acid, ACRYLIC ACID, GLYCEROL, ...
著者Srikalaivani, R, Singh, A, Surolia, A, Vijayan, M.
登録日2017-08-21
公開日2018-07-11
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.68 Å)
主引用文献Structure, interactions and action ofMycobacterium tuberculosis3-hydroxyisobutyric acid dehydrogenase.
Biochem. J., 475, 2018
5G1N
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BU of 5g1n by Molmil
Aspartate transcarbamoylase domain of human CAD bound to PALA
分子名称: 1,2-ETHANEDIOL, CAD PROTEIN, N-(PHOSPHONACETYL)-L-ASPARTIC ACID
著者Ruiz-Ramos, A, Grande-Garcia, A, Moreno-Morcillo, M.D, Ramon-Maiques, S.
登録日2016-03-29
公開日2016-06-22
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure and Functional Characterization of Human Aspartate Transcarbamoylase, the Target of the Anti-Tumoral Drug Pala.
Structure, 24, 2016
4XPV
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BU of 4xpv by Molmil
Neutron and X-ray structure analysis of xylanase: N44D at pH6
分子名称: Endo-1,4-beta-xylanase 2, IODIDE ION
著者Wan, Q, Park, J.M, Riccardi, D.M, Hanson, L.B, Fisher, Z, Smith, J.C, Ostermann, A, Schrader, T, Graham, D.E, Coates, L, Langan, P, Kovalevsky, A.Y.
登録日2015-01-18
公開日2015-09-30
最終更新日2023-09-27
実験手法NEUTRON DIFFRACTION (1.7 Å), X-RAY DIFFRACTION
主引用文献Direct determination of protonation states and visualization of hydrogen bonding in a glycoside hydrolase with neutron crystallography.
Proc.Natl.Acad.Sci.USA, 112, 2015
4XRM
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BU of 4xrm by Molmil
homodimer of TALE type homeobox transcription factor MEIS1 complexes with specific DNA
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DNA (5'-D(P*AP*GP*CP*TP*GP*AP*CP*AP*GP*CP*TP*GP*TP*CP*AP*AP*G)-3'), DNA (5'-D(P*TP*CP*TP*TP*GP*AP*CP*AP*GP*CP*TP*GP*TP*CP*AP*GP*C)-3'), ...
著者Morgunova, E, Jorma, A, Yin, Y, Nitta, K.R, Dave, K, Enge, M, Kivioja, T, Popov, A, Taipale, J.
登録日2015-01-21
公開日2015-11-04
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献DNA-dependent formation of transcription factor pairs alters their binding specificity.
Nature, 527, 2015
5Y8H
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BU of 5y8h by Molmil
Mycobacterium tuberculosis 3-Hydroxyisobutyrate dehydrogenase (MtHIBADH) + NAD+
分子名称: (2~{S})-2-methylpentanedioic acid, ACRYLIC ACID, GLYCEROL, ...
著者Srikalaivani, R, Singh, A, Surolia, A, Vijayan, M.
登録日2017-08-21
公開日2018-07-11
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure, interactions and action ofMycobacterium tuberculosis3-hydroxyisobutyric acid dehydrogenase.
Biochem. J., 475, 2018
5YFN
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BU of 5yfn by Molmil
Human isocitrate dehydrogenase 1 bound with isocitrate
分子名称: ISOCITRIC ACID, Isocitrate dehydrogenase [NADP] cytoplasmic, MAGNESIUM ION, ...
著者Nordlund, P, Chen, D, Jansson, A, Larsson, A.
登録日2017-09-21
公開日2017-10-25
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Human isocitrate dehydrogenase 1 bound with isocitrate
To Be Published
7AMS
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BU of 7ams by Molmil
Crystal structure of the complex of the KFN mutant of HuJovi-1 Fab with human TRBC2
分子名称: CHLORIDE ION, GLYCEROL, Human A6 T-cell receptor alpha chain, ...
著者Ferrari, M, Bulek, A, Bughda, R, Jha, R, Welin, M, Svensson, A, Logan, D.T, Sewell, A, Onuoha, S, Pule, M.
登録日2020-10-09
公開日2022-04-20
最終更新日2022-04-27
実験手法X-RAY DIFFRACTION (2.419 Å)
主引用文献Structure-Guided Engineering of Immunotherapies Targeting TRBC1 and TRBC2 in T Cell Malignancies
Res Sq, 2022
6W1P
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BU of 6w1p by Molmil
RT XFEL structure of the one-flash state of Photosystem II (1F, S2-rich) at 2.26 Angstrom resolution
分子名称: 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ...
著者Ibrahim, M, Fransson, T, Chatterjee, R, Cheah, M.H, Hussein, R, Lassalle, L, Sutherlin, K.D, Young, I.D, Fuller, F.D, Gul, S, Kim, I.-S, Simon, P.S, de Lichtenberg, C, Chernev, P, Bogacz, I, Pham, C, Orville, A.M, Saichek, N, Northen, T.R, Batyuk, A, Carbajo, S, Alonso-Mori, R, Tono, K, Owada, S, Bhowmick, A, Bolotovski, R, Mendez, D, Moriarty, N.W, Holton, J.M, Dobbek, H, Brewster, A.S, Adams, P.D, Sauter, N.K, Bergmann, U, Zouni, A, Messinger, J, Kern, J, Yachandra, V.K, Yano, J.
登録日2020-03-04
公開日2020-05-13
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.26 Å)
主引用文献Untangling the sequence of events during the S2→ S3transition in photosystem II and implications for the water oxidation mechanism.
Proc.Natl.Acad.Sci.USA, 117, 2020
5JCZ
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BU of 5jcz by Molmil
Rab11 bound to MyoVa-GTD
分子名称: 1,2-ETHANEDIOL, ACETATE ION, BERYLLIUM TRIFLUORIDE ION, ...
著者Pylypenko, O, Attanda, W, Gauquelin, C, Malherbes, G, Houdusse, A.
登録日2016-04-15
公開日2016-09-28
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.056 Å)
主引用文献Coordinated recruitment of Spir actin nucleators and myosin V motors to Rab11 vesicle membranes.
Elife, 5, 2016
4XRS
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BU of 4xrs by Molmil
Heterodimeric complex of transcription factors MEIS1 and DLX3 on specific DNA
分子名称: DNA (5'-D(P*AP*CP*AP*AP*TP*TP*AP*TP*CP*CP*TP*GP*TP*CP*AP*AP*C)-3'), DNA (5'-D(P*CP*AP*AP*TP*TP*AP*TP*CP*CP*TP*GP*TP*CP*AP*A)-3'), DNA (5'-D(P*GP*TP*TP*GP*AP*CP*AP*GP*GP*AP*TP*AP*AP*TP*TP*GP*TP*T)-3'), ...
著者Jorma, A, Yin, Y, Nitta, K.R, Dave, K, Enge, M, Kivioja, T, Popov, A, Morgunova, E, Taipale, J.
登録日2015-01-21
公開日2015-11-04
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献DNA-dependent formation of transcription factor pairs alters their binding specificity.
Nature, 527, 2015
5WP9
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BU of 5wp9 by Molmil
Structural Basis of Mitochondrial Receptor Binding and Constriction by Dynamin-Related Protein 1
分子名称: Dynamin-1-like protein, MAGNESIUM ION, Mitochondrial dynamics protein MID49, ...
著者Kalia, R, Wang, R.Y.R, Yusuf, A, Thomas, P.V, Agard, D.A, Shaw, J.M, Frost, A.
登録日2017-08-03
公開日2018-06-20
最終更新日2024-03-13
実験手法ELECTRON MICROSCOPY (4.22 Å)
主引用文献Structural basis of mitochondrial receptor binding and constriction by DRP1.
Nature, 558, 2018
5WB5
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BU of 5wb5 by Molmil
Leishmania IF4E-1 bound to Leishmania 4E-IP1
分子名称: DI(HYDROXYETHYL)ETHER, Putative eukaryotic translation initiation factor eIF-4E, Uncharacterized protein
著者Leger-Abraham, M, Meleppattu, S, Arthanari, H, Zinoviev, A, Boeszoermenyi, A, Wagner, G, Shapira, M.
登録日2017-06-27
公開日2018-03-14
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structural basis for LeishIF4E-1 modulation by an interacting protein in the human parasite Leishmania major.
Nucleic Acids Res., 46, 2018
3KFC
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BU of 3kfc by Molmil
Complex Structure of LXR with an agonist
分子名称: 4-{3-[3-(methylsulfonyl)phenoxy]phenyl}-8-(trifluoromethyl)quinoline, Oxysterols receptor LXR-beta
著者Olland, A, Bernotas, R.C, Unwalla, R.
登録日2009-10-27
公開日2009-12-08
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献4-(3-Aryloxyaryl)quinoline sulfones are potent liver X receptor agonists.
Bioorg.Med.Chem.Lett., 20, 2010
5W8J
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BU of 5w8j by Molmil
Crystal Structure of Lactate Dehydrogenase A in complex with inhibitor compound 29
分子名称: 2-{3-(3,4-difluorophenyl)-5-hydroxy-4-[(4-sulfamoylphenyl)methyl]-1H-pyrazol-1-yl}-1,3-thiazole-4-carboxylic acid, DIMETHYL SULFOXIDE, GLYCEROL, ...
著者Lukacs, C.M, Moulin, A.
登録日2017-06-21
公開日2018-01-17
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Discovery and Optimization of Potent, Cell-Active Pyrazole-Based Inhibitors of Lactate Dehydrogenase (LDH).
J. Med. Chem., 60, 2017
5JGP
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BU of 5jgp by Molmil
Crystal structure of the nitrate/nitrite sensor NarQ fragment bound with iodide ions
分子名称: IODIDE ION, NITRATE ION, Nitrate/nitrite sensor protein NarQ
著者Melnikov, I, Polovinkin, V, Popov, A, Gordeliy, V.
登録日2016-04-20
公開日2017-05-31
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Fast iodide-SAD phasing for high-throughput membrane protein structure determination.
Sci Adv, 3, 2017

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