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7N4O
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BU of 7n4o by Molmil
Crystal structure of R20A human Galectin-7 mutant
分子名称: 1,2-ETHANEDIOL, GLYCEROL, Galectin-7
著者Pham, N.T.H, Calmettes, C, Doucet, N.
登録日2021-06-04
公開日2023-01-25
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Crystal structure of R20A human Galectin-7 mutant
To Be Published
5KTD
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BU of 5ktd by Molmil
FdhC with bound products: Coenzyme A and dTDP-3-amino-3,6-dideoxy-d-glucose
分子名称: 1,2-ETHANEDIOL, COENZYME A, FdhC, ...
著者Salinger, A.J, Thoden, J.B, Holden, H.M.
登録日2016-07-11
公開日2016-07-27
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural and Functional Investigation of FdhC from Acinetobacter nosocomialis: A Sugar N-Acyltransferase Belonging to the GNAT Superfamily.
Biochemistry, 55, 2016
8RRI
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BU of 8rri by Molmil
Human mitochondrial ribosome in complex with antibiotic tigecycline
分子名称: 12S mitochondrial rRNA, 16S mitochondrial rRNA, 28S ribosomal protein S10, ...
著者Khawaja, A, Sing, V, Nguyen, M.D, Rorbach, J.
登録日2024-01-22
公開日2025-03-12
最終更新日2025-05-14
実験手法ELECTRON MICROSCOPY (2.4 Å)
主引用文献T cell toxicity induced by tigecycline binding to the mitochondrial ribosome.
Nat Commun, 16, 2025
4UBV
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BU of 4ubv by Molmil
Structure of the 3-ketoacyl-CoA thiolase FadA5 from M. tuberculosis with an partially acetylated cysteine in complex with acetyl-CoA and CoA
分子名称: 1,4-DIETHYLENE DIOXIDE, ACETYL COENZYME *A, Acetyl-CoA acetyltransferase FadA5, ...
著者Schaefer, C.M, Kisker, C.
登録日2014-08-13
公開日2014-12-17
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献FadA5 a Thiolase from Mycobacterium tuberculosis: A Steroid-Binding Pocket Reveals the Potential for Drug Development against Tuberculosis.
Structure, 23, 2015
6R6K
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BU of 6r6k by Molmil
Structure of a FpvC mutant from pseudomonas aeruginosa
分子名称: 1,2-ETHANEDIOL, ABC transporter substrate-binding protein, DI(HYDROXYETHYL)ETHER, ...
著者Morera, S, Vigouroux, A.
登録日2019-03-27
公開日2019-07-31
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献A unique ferrous iron binding mode is associated with large conformational changes for the transport protein FpvC of Pseudomonas aeruginosa.
Febs J., 287, 2020
6YE7
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BU of 6ye7 by Molmil
E.coli's Putrescine receptor PotF complexed with Cadaverine
分子名称: 1,2-ETHANEDIOL, 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, CHLORIDE ION, ...
著者Shanmugaratnam, S, Kroeger, P, Hocker, B.
登録日2020-03-24
公開日2021-01-20
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献A comprehensive binding study illustrates ligand recognition in the periplasmic binding protein PotF.
Structure, 29, 2021
3REV
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BU of 3rev by Molmil
Crystal structure of human alloreactive tcr nb20
分子名称: 1,2-ETHANEDIOL, TCR NB20 ALPHA CHAIN, TCR NB20 BETA CHAIN
著者Wood, A, Mohammed, F, Salim, M, Tranter, A, Rickinson, A.B, Moss, P.A.H, Stauss, H.J, Steven, N.M, Willcox, B.E.
登録日2011-04-05
公開日2012-01-18
最終更新日2024-11-27
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural and energetic evidence for highly peptide-specific tumor antigen targeting via allo-MHC restriction.
Proc.Natl.Acad.Sci.USA, 108, 2011
6S0I
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BU of 6s0i by Molmil
Crystal structure of Escherichia coli Glyoxalase II with L-Tartrate in the active site
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Hydroxyacylglutathione hydrolase GloB, L(+)-TARTARIC ACID, ...
著者Skorupskaite, A, McDonough, M.A, Schofield, C.J.
登録日2019-06-14
公開日2020-07-15
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.803 Å)
主引用文献Crystal structure of Escherichia coli Glyoxalase II
To Be Published
7O2I
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BU of 7o2i by Molmil
METTL3-METTL14 heterodimer bound to the SAM competitive small molecule inhibitor STM2457
分子名称: DIMETHYL SULFOXIDE, N6-adenosine-methyltransferase catalytic subunit, N6-adenosine-methyltransferase non-catalytic subunit, ...
著者Pilka, E.S, Blackaby, W, Hardick, D, Harper, C, Hewstone, D, Ridgill, M, Rotty, B, Rausch, O.
登録日2021-03-30
公開日2021-04-14
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Small-molecule inhibition of METTL3 as a strategy against myeloid leukaemia.
Nature, 593, 2021
9CD1
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BU of 9cd1 by Molmil
Crystal structure of the Klebsiella pneumoniae LpxH / JH-LPH-107 complex
分子名称: MANGANESE (II) ION, N-(4-{4-[6-chloro-4-(trifluoromethyl)pyridin-2-yl]piperazine-1-sulfonyl}phenyl)-2-[(methanesulfonyl)(methyl)amino]benzamide, UDP-2,3-diacylglucosamine hydrolase
著者Cochrane, C.S, Zhou, P.
登録日2024-06-23
公開日2025-02-12
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Design and Evaluation of Pyridinyl Sulfonyl Piperazine LpxH Inhibitors with Potent Antibiotic Activity Against Enterobacterales.
Jacs Au, 4, 2024
6SO7
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BU of 6so7 by Molmil
BamABCDE in MSP1D1 nanodisc ensemble 1-2
分子名称: Outer membrane protein assembly factor BamA, Outer membrane protein assembly factor BamB, Outer membrane protein assembly factor BamC, ...
著者Iadanza, M.G, Ranson, N.A, Radford, S.E, Higgins, A.J, Calabrese, A.N, Schiffrin, B, White, P.
登録日2019-08-29
公開日2021-03-31
最終更新日2024-05-22
実験手法ELECTRON MICROSCOPY (10.5 Å)
主引用文献BamABCDE in MSP1D1 nanodisc ensemble 1-2
To Be Published
5EUS
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BU of 5eus by Molmil
Rat prestin STAS domain in complex with bromide
分子名称: 1,2-ETHANEDIOL, BROMIDE ION, Prestin,Rat prestin STAS domain, ...
著者Lolli, G, Pasqualetto, E, Costanzi, E, Bonetto, G, Battistutta, R.
登録日2015-11-19
公開日2015-12-16
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.833 Å)
主引用文献The STAS domain of mammalian SLC26A5 prestin harbours an anion-binding site.
Biochem.J., 473, 2016
5EUW
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BU of 5euw by Molmil
Rat prestin STAS domain in complex with nitrate
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, NITRATE ION, ...
著者Lolli, G, Pasqualetto, E, Costanzi, E, Bonetto, G, Battistutta, R.
登録日2015-11-19
公開日2015-12-16
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献The STAS domain of mammalian SLC26A5 prestin harbours an anion-binding site.
Biochem.J., 473, 2016
5TF3
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BU of 5tf3 by Molmil
Crystal Structure of Protein of Unknown Function YPO2564 from Yersinia pestis
分子名称: 1,2-ETHANEDIOL, Putative membrane protein
著者Kim, Y, Chhor, G, Endres, M, Babnigg, G, Anderson, W.F, Crosson, S, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2016-09-23
公開日2016-10-19
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.001 Å)
主引用文献Crystal Structure of Protein of Unknown Function YPO2564 from Yersinia pestis
To Be Published
8B70
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BU of 8b70 by Molmil
KimA from B. subtilis with nucleotide second-messenger c-di-AMP bound
分子名称: (2R,3R,3aS,5R,7aR,9R,10R,10aS,12R,14aR)-2,9-bis(6-amino-9H-purin-9-yl)octahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8 ]tetraoxadiphosphacyclododecine-3,5,10,12-tetrol 5,12-dioxide, DODECYL-BETA-D-MALTOSIDE, POTASSIUM ION, ...
著者Vonck, J, Wieferig, J.P.
登録日2022-09-28
公開日2023-01-18
最終更新日2024-07-24
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Cyclic di-AMP traps proton-coupled K + transporters of the KUP family in an inward-occluded conformation.
Nat Commun, 14, 2023
5EUX
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BU of 5eux by Molmil
Rat prestin STAS domain in complex with thiocyanate
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Prestin,Prestin, ...
著者Lolli, G, Pasqualetto, E, Costanzi, E, Bonetto, G, Battistutta, R.
登録日2015-11-19
公開日2015-12-16
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.038 Å)
主引用文献The STAS domain of mammalian SLC26A5 prestin harbours an anion-binding site.
Biochem.J., 473, 2016
6YB8
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BU of 6yb8 by Molmil
Human octameric PAICS in complex with CAIR and SAICAR
分子名称: (2~{S})-2-[[5-azanyl-1-[(2~{R},3~{R},4~{S},5~{R})-3,4-bis(oxidanyl)-5-(phosphonooxymethyl)oxolan-2-yl]imidazol-4-yl]car bonylamino]butanedioic acid, 1,2-ETHANEDIOL, 5-AMINO-1-(5-O-PHOSPHONO-BETA-D-RIBOFURANOSYL)-1H-IMIDAZOLE-4-CARBOXYLIC ACID, ...
著者Skerlova, J, Unterlass, J, Gottmann, M, Homan, E, Helleday, T, Jemth, A.S, Stenmark, P.
登録日2020-03-16
公開日2020-07-08
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.36 Å)
主引用文献Crystal structures of human PAICS reveal substrate and product binding of an emerging cancer target.
J.Biol.Chem., 295, 2020
7B41
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BU of 7b41 by Molmil
Crystal structure of c-MET bound by compound 7
分子名称: 3-[(2-fluorophenyl)methyl]-5-(1-piperidin-4-ylpyrazol-4-yl)-1~{H}-pyrrolo[2,3-b]pyridine, Hepatocyte growth factor receptor
著者Collie, G.W.
登録日2020-12-02
公開日2020-12-09
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Structural Basis for Targeting the Folded P-Loop Conformation of c-MET.
Acs Med.Chem.Lett., 12, 2021
6STO
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BU of 6sto by Molmil
Three dimensional structure of the giant reed (Arundodonax) lectin (ADL) complex with N-Acetyl lactosamine
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Arundo donax Lectin (ADL), GLYCEROL, ...
著者Perduca, M, Monaco, H.L, Bovi, M, Destefanis, L, Nadali, D, Fin, L, Carrizo, M.E.
登録日2019-09-11
公開日2021-07-14
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Three-dimensional structure and properties of the giant reed (Arundo donax) lectin (ADL).
Glycobiology, 2021
9CLJ
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BU of 9clj by Molmil
HIV-2 CA T=1 Icosahedron; assembled via lipid templating
分子名称: Capsid protein p24, INOSITOL HEXAKISPHOSPHATE
著者Cook, M, Freniere, C, Xiong, Y.
登録日2024-07-11
公開日2025-03-05
実験手法ELECTRON MICROSCOPY (1.98 Å)
主引用文献Structural insights into HIV-2 CA lattice formation and FG-pocket binding revealed by single-particle cryo-EM.
Cell Rep, 44, 2025
7ABU
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BU of 7abu by Molmil
Structure of SARS-CoV-2 Main Protease bound to RS102895
分子名称: 1'-[2-[4-(trifluoromethyl)phenyl]ethyl]spiro[1~{H}-3,1-benzoxazine-4,4'-piperidine]-2-one, 3C-like proteinase, DIMETHYL SULFOXIDE, ...
著者Guenther, S, Reinke, P.Y.A, Oberthuer, D, Yefanov, O, Gelisio, L, Ginn, H, Lieske, J, Domaracky, M, Brehm, W, Rahmani Mashour, A, White, T.A, Knoska, J, Pena Esperanza, G, Koua, F, Tolstikova, A, Groessler, M, Fischer, P, Hennicke, V, Fleckenstein, H, Trost, F, Galchenkova, M, Gevorkov, Y, Li, C, Awel, S, Paulraj, L.X, Ullah, N, Falke, S, Alves Franca, B, Schwinzer, M, Brognaro, H, Werner, N, Perbandt, M, Tidow, H, Seychell, B, Beck, T, Meier, S, Doyle, J.J, Giseler, H, Melo, D, Lane, T.J, Dunkel, I, Peck, A, Saouane, S, Hakanpaeae, J, Meyer, J, Noei, H, Gribbon, P, Ellinger, B, Kuzikov, M, Wolf, M, Zhang, L, Ehrt, C, Pletzer-Zelgert, J, Wollenhaupt, J, Feiler, C, Weiss, M, Schulz, E.C, Mehrabi, P, Norton-Baker, B, Schmidt, C, Lorenzen, K, Schubert, R, Han, H, Chari, A, Fernandez Garcia, Y, Turk, D, Hilgenfeld, R, Rarey, M, Zaliani, A, Chapman, H.N, Pearson, A, Betzel, C, Meents, A.
登録日2020-09-08
公開日2020-12-02
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献X-ray screening identifies active site and allosteric inhibitors of SARS-CoV-2 main protease.
Science, 372, 2021
7BJ0
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BU of 7bj0 by Molmil
Inhibitor of MDM2-p53 Interaction
分子名称: (3~{R})-4-chloranyl-3-(4-chlorophenyl)-3-[[1-(hydroxymethyl)cyclopropyl]methoxy]-2-[(4-nitrophenyl)methyl]isoindol-1-one, E3 ubiquitin-protein ligase Mdm2
著者Williams, P.A.
登録日2021-01-13
公開日2021-04-07
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure-Based Design of Potent and Orally Active Isoindolinone Inhibitors of MDM2-p53 Protein-Protein Interaction.
J.Med.Chem., 64, 2021
7BMG
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BU of 7bmg by Molmil
Inhibitor of MDM2-p53 Interaction
分子名称: (3~{R})-3-(4-chlorophenyl)-2-[(4-ethynylphenyl)methyl]-3-[[1-(hydroxymethyl)cyclopropyl]methoxy]-6-(2-oxidanylpropan-2-yl)isoindol-1-one, 1,2-ETHANEDIOL, E3 ubiquitin-protein ligase Mdm2
著者Williams, P.A.
登録日2021-01-20
公開日2021-04-07
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Structure-Based Design of Potent and Orally Active Isoindolinone Inhibitors of MDM2-p53 Protein-Protein Interaction.
J.Med.Chem., 64, 2021
6GFR
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BU of 6gfr by Molmil
cyanobacterial GAPDH with NAD
分子名称: ACETATE ION, Glyceraldehyde-3-phosphate dehydrogenase, MAGNESIUM ION, ...
著者McFarlane, C.R, Murray, J.W.
登録日2018-05-01
公開日2019-05-08
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.919 Å)
主引用文献Structural basis of light-induced redox regulation in the Calvin-Benson cycle in cyanobacteria.
Proc.Natl.Acad.Sci.USA, 116, 2019
9J50
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BU of 9j50 by Molmil
Crystal structure of the closed state of the omega transaminase TA_5182 from Pseudomonas putida KT2440
分子名称: 1,2-ETHANEDIOL, PHOSPHATE ION, Polyamine:pyruvate transaminase
著者Das, P, Bhaumik, P.
登録日2024-08-10
公開日2025-06-04
最終更新日2025-07-09
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural insights and rational design of Pseudomonasputida KT2440 omega transaminases for enhanced biotransformation of (R)-PAC to (1R, 2S)-Norephedrine.
J.Biol.Chem., 301, 2025

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