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4K5Y
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BU of 4k5y by Molmil
Crystal structure of human corticotropin-releasing factor receptor 1 (CRF1R) in complex with the antagonist CP-376395
分子名称: (1R)-2-{[(S)-{[(2S)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(hexadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate, (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 3,6-dimethyl-N-(pentan-3-yl)-2-(2,4,6-trimethylphenoxy)pyridin-4-amine, ...
著者Hollenstein, K, Kean, J, Bortolato, A, Cheng, R.K.Y, Dore, A.S, Jazayeri, A, Cooke, R.M, Weir, M, Marshall, F.H.
登録日2013-04-15
公開日2013-07-17
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.977 Å)
主引用文献Structure of class B GPCR corticotropin-releasing factor receptor 1.
Nature, 499, 2013
4AYL
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BU of 4ayl by Molmil
Molecular structure of a metal-independent bacterial glycosyltransferase that catalyzes the synthesis of histo-blood group A antigen
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, BOGT-METAL-INDEPENDENT GLYCOSYLTRANSFERASE, CALCIUM ION, ...
著者Thiyagarajan, N, Pham, T.T.K, Stinsonb, B, Sundriyala, A, Tumbale, P, Lizotte-Waniewskib, M, Brewb, K, Acharya, K.R.
登録日2012-06-21
公開日2012-12-19
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.919 Å)
主引用文献Structure of a Metal-Independent Bacterial Glycosyltransferase that Catalyzes the Synthesis of Histo-Blood Group a Antigen
Sci.Rep., 2, 2012
4U9L
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BU of 4u9l by Molmil
Structure of a membrane protein
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, MAGNESIUM ION, Magnesium transporter MgtE
著者Takeda, H, Hattori, M, Nishizawa, T, Yamashita, K, Shah, S.T.A, Caffrey, M, Maturana, A.D, Ishitani, R, Nureki, O.
登録日2014-08-06
公開日2014-12-03
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural basis for ion selectivity revealed by high-resolution crystal structure of Mg(2+) channel MgtE
Nat Commun, 5, 2014
4KMR
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BU of 4kmr by Molmil
Structure of a putative transcriptional regulator of LacI family from Sanguibacter keddieii DSM 10542.
分子名称: MAGNESIUM ION, SODIUM ION, Transcriptional regulator, ...
著者Filippova, E.V, Minasov, G, Shuvalova, L, Kiryukhina, O, Endres, M, Joachimiak, A, Anderson, W.F, Midwest Center for Structural Genomics (MCSG)
登録日2013-05-08
公開日2013-06-05
最終更新日2017-11-15
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Structure of a putative transcriptional regulator of LacI family from Sanguibacter keddieii DSM 10542.
To be Published
4U9N
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BU of 4u9n by Molmil
Structure of a membrane protein
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, MANGANESE (II) ION, Magnesium transporter MgtE, ...
著者Takeda, H, Hattori, M, Nishizawa, T, Yamashita, K, Shah, S.T.A, Caffrey, M, Maturana, A.D, Ishitani, R, Nureki, O.
登録日2014-08-06
公開日2014-12-03
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural basis for ion selectivity revealed by high-resolution crystal structure of Mg(2+) channel MgtE
Nat Commun, 5, 2014
4UB8
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BU of 4ub8 by Molmil
Native structure of photosystem II (dataset-2) by a femtosecond X-ray laser
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Suga, M, Akita, F, Hirata, K, Ueno, G, Murakami, H, Nakajima, Y, Shimizu, T, Yamashita, K, Yamamoto, M, Ago, H, Shen, J.R.
登録日2014-08-12
公開日2014-12-03
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Native structure of photosystem II at 1.95 angstrom resolution viewed by femtosecond X-ray pulses.
Nature, 517, 2015
4KQ6
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BU of 4kq6 by Molmil
Product complex of lumazine synthase from candida glabrata
分子名称: 1-deoxy-1-(6,7-dimethyl-2,4-dioxo-3,4-dihydropteridin-8(2H)-yl)-D-ribitol, 6,7-dimethyl-8-ribityllumazine synthase, GLYCEROL, ...
著者Shankar, M, Wilbanks, S.M, Nakatani, Y, Monk, B.C, Tyndall, J.D.A.
登録日2013-05-14
公開日2013-05-29
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.24 Å)
主引用文献Catalysis product captured in lumazine synthase from the fungal pathogen Candida glabrata.
Acta Crystallogr.,Sect.D, 69, 2013
4UDS
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BU of 4uds by Molmil
Crystal structure of MbdR regulator from Azoarcus sp. CIB
分子名称: MBDR REGULATOR
著者Liu, H, Liu, H.X, MacMahon, S.A, Juarez, J.F, Zamarro, M.T, Eberlein, C, Boll, M, Carmona, M, Diaz, E, Naismith, J.H.
登録日2014-12-11
公開日2014-12-24
最終更新日2017-09-13
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Unraveling the Specific Regulation of the Mbd Central Pathway for the Anaerobic Degradation of 3-Methylbenzoate.
J.Biol.Chem., 290, 2015
4KTP
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BU of 4ktp by Molmil
Crystal structure of 2-O-alpha-glucosylglycerol phosphorylase in complex with glucose
分子名称: CALCIUM ION, Glycoside hydrolase family 65 central catalytic, PENTAETHYLENE GLYCOL, ...
著者Touhara, K.K, Nihira, T, Kitaoka, M, Nakai, H, Fushinobu, S.
登録日2013-05-21
公開日2014-05-21
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural basis for reversible phosphorolysis and hydrolysis reactions of 2-O-alpha-glucosylglycerol phosphorylase
J.Biol.Chem., 289, 2014
4UPB
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BU of 4upb by Molmil
Electron cryo-microscopy of the complex formed between the hexameric ATPase RavA and the decameric inducible decarboxylase LdcI
分子名称: ATPASE RAVA, LYSINE DECARBOXYLASE, INDUCIBLE
著者Malet, H, Liu, K, El Bakkouri, M, Chan, S.W.S, Effantin, G, Bacia, M, Houry, W.A, Gutsche, I.
登録日2014-06-15
公開日2014-08-20
最終更新日2024-05-08
実験手法ELECTRON MICROSCOPY (11 Å)
主引用文献Assembly Principles of a Unique Cage Formed by Hexameric and Decameric E. Coli Proteins.
Elife, 3, 2014
4UP5
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BU of 4up5 by Molmil
Crystal structure of the Pygo2 PHD finger in complex with the B9L HD1 domain and a chemical fragment
分子名称: 6-methoxy-1,3-benzothiazol-2-amine, PYGOPUS HOMOLOG 2, B-CELL CLL/LYMPHOMA 9-LIKE PROTEIN, ...
著者Miller, T.C.R, Fiedler, M, Rutherford, T.J, Birchall, K, Chugh, J, Bienz, M.
登録日2014-06-12
公開日2014-11-05
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Competitive Binding of a Benzimidazole to the Histone-Binding Pocket of the Pygo Phd Finger.
Acs Chem.Biol., 9, 2014
4K7W
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BU of 4k7w by Molmil
Crystal structure of Zn3-hUb(human ubiquitin) adduct from a solution 100 mM zinc acetate/1.3 mM hUb
分子名称: 1,2-ETHANEDIOL, ACETATE ION, ZINC ION, ...
著者Fermani, S, Falini, G, Calvaresi, M, Bottoni, A, Arnesano, F, Natile, G.
登録日2013-04-17
公開日2013-05-08
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Conformational selection of ubiquitin quaternary structures driven by zinc ions.
Chemistry, 19, 2013
4UNE
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BU of 4une by Molmil
Human insulin B26Phe mutant crystal structure
分子名称: INSULIN A CHAIN, INSULIN B CHAIN, SULFATE ION
著者Zakova, L, Klevtikova, E, Lepsik, M, Collinsova, M, Watson, C.J, Turkenburg, J.P, Jiracek, J, Brzozowski, A.M.
登録日2014-05-28
公開日2014-10-15
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献Human Insulin Analogues Modified at the B26 Site Reveal a Hormone Conformation that is Undetected in the Receptor Complex
Acta Crystallogr.,Sect.D, 70, 2014
4KQ9
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BU of 4kq9 by Molmil
Crystal structure of periplasmic ribose ABC transporter from Conexibacter woesei DSM 14684
分子名称: GLYCEROL, Ribose ABC transporter, substrate binding protein
著者Nocek, B, Chhor, G, Endres, M, Babnigg, G, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
登録日2013-05-14
公開日2013-05-29
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structure of periplasmic ribose ABC transporter from Conexibacter woesei DSM 14684
To be Published
4KE3
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BU of 4ke3 by Molmil
Crystal structure of a glutathione transferase family member from Burkholderia graminis, target efi-507264, no gsh, disordered domains, space group P21, form(2)
分子名称: Glutathione S-transferase domain
著者Vetting, M.W, Toro, R, Bhosle, R, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Sojitra, S, Stead, M, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Gerlt, J.A, Armstrong, R.N, Almo, S.C, Enzyme Function Initiative (EFI)
登録日2013-04-25
公開日2013-05-08
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structure of a glutathione transferase family member from Burkholderia graminis, target efi-507264, no gsh, disordered domains, space group P21, form(2)
To be Published
4KF1
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BU of 4kf1 by Molmil
Crystal structure of SsoPox W263I in complex with C10HTL
分子名称: (4S)-4-(decanoylamino)-5-hydroxy-3,4-dihydro-2H-thiophenium, 1,2-ETHANEDIOL, Aryldialkylphosphatase, ...
著者Gotthard, G, Hiblot, J, Chabriere, E, Elias, M.
登録日2013-04-26
公開日2013-10-02
最終更新日2021-08-11
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Differential Active Site Loop Conformations Mediate Promiscuous Activities in the Lactonase SsoPox.
Plos One, 8, 2013
4KSD
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BU of 4ksd by Molmil
Structures of P-glycoprotein reveal its conformational flexibility and an epitope on the nucleotide-binding domain
分子名称: Multidrug resistance protein 1A, R2 protein
著者Ward, A, Szewczyk, P, Grimard, V, Lee, C.-W, Martinez, L, Doshi, R, Caya, A, Villaluz, M, Pardon, E, Cregger, C, Swartz, D.J, Falson, P, Urbatsch, I, Govaerts, C, Steyaert, J, Chang, G.
登録日2013-05-17
公開日2013-07-31
最終更新日2019-07-17
実験手法X-RAY DIFFRACTION (4.1001 Å)
主引用文献Structures of P-glycoprotein reveal its conformational flexibility and an epitope on the nucleotide-binding domain.
Proc.Natl.Acad.Sci.USA, 110, 2013
2LWB
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BU of 2lwb by Molmil
Structural model of BAD-1 repeat loop by NMR
分子名称: Adhesin WI-1
著者Brandhorst, T, Klein, B, Tonelli, M.
登録日2012-07-26
公開日2013-07-31
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Structure and function of a fungal adhesin that mimics thrombospondin-1 by binding heparin sulfate glycosaminoglycan and suppressing T cell activation via interaction with CD47
To be Published
4KMG
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BU of 4kmg by Molmil
Crystal structure of cytochrome c6B from Synechococcus sp. WH8102
分子名称: Cytochrome C6 (Soluble cytochrome F) (Cytochrome c553), HEME C, SODIUM ION
著者Zatwarnicki, P, Krzywda, S, Barciszewski, J, Jaskolski, M, Szczepaniak, A.
登録日2013-05-08
公開日2014-03-26
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Cytochrome c6B of Synechococcus sp. WH 8102 - Crystal structure and basic properties of novel c6-like family representative.
Biochem.Biophys.Res.Commun., 443, 2014
4KSC
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BU of 4ksc by Molmil
Structures of P-glycoprotein reveal its conformational flexibility and an epitope on the nucleotide-binding domain
分子名称: Multidrug resistance protein 1A
著者Ward, A, Szewczyk, P, Grimard, V, Lee, C.-W, Martinez, L, Doshi, R, Caya, A, Villaluz, M, Pardon, E, Cregger, C, Swartz, D.J, Falson, P, Urbatsch, I, Govaerts, C, Steyaert, J, Chang, G.
登録日2013-05-17
公開日2013-07-31
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (4 Å)
主引用文献Structures of P-glycoprotein reveal its conformational flexibility and an epitope on the nucleotide-binding domain.
Proc.Natl.Acad.Sci.USA, 110, 2013
4KEZ
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BU of 4kez by Molmil
Crystal structure of SsoPox W263F
分子名称: 1,2-ETHANEDIOL, Aryldialkylphosphatase, COBALT (II) ION, ...
著者Gotthard, G, Hiblot, J, Chabriere, E, Elias, M.
登録日2013-04-26
公開日2013-10-02
最終更新日2013-11-20
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Differential Active Site Loop Conformations Mediate Promiscuous Activities in the Lactonase SsoPox.
Plos One, 8, 2013
4KFP
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Identification of 2,3-dihydro-1H-pyrrolo[3,4-c]pyridine-derived Ureas as Potent Inhibitors of Human Nicotinamide Phosphoribosyltransferase (NAMPT)
分子名称: 1,2-ETHANEDIOL, N-(4-{[1-(tetrahydro-2H-pyran-4-yl)piperidin-4-yl]sulfonyl}benzyl)-2H-pyrrolo[3,4-c]pyridine-2-carboxamide, Nicotinamide phosphoribosyltransferase, ...
著者Dragovich, P.S, Bair, K.W, Baumeister, T, Ho, Y, Liederer, B.M, Liu, X, O'Brien, T, Oeh, J, Sampath, D, Skelton, N, Wang, L, Wang, W, Wu, H, Xiao, Y, Yuen, P, Zak, M, Zhang, L, Zheng, X.
登録日2013-04-27
公開日2013-08-14
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Identification of 2,3-dihydro-1H-pyrrolo[3,4-c]pyridine-derived ureas as potent inhibitors of human nicotinamide phosphoribosyltransferase (NAMPT).
Bioorg.Med.Chem.Lett., 23, 2013
4KGB
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BU of 4kgb by Molmil
Structure of succinyl-CoA: 3-ketoacid CoA transferase from Drosophila melanogaster
分子名称: SULFATE ION, Succinyl-CoA:3-ketoacid-coenzyme A transferase
著者Wang, Y.C, Shi, Z.B, Zhang, M.
登録日2013-04-29
公開日2013-10-23
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.64 Å)
主引用文献Structure of succinyl-CoA:3-ketoacid CoA transferase from Drosophila melanogaster.
Acta Crystallogr.,Sect.F, 69, 2013
4K1B
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Structure of PIM-1 kinase bound to N-(5-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-((((3R,4R)-3-fluoropiperidin-4-yl)methyl)amino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
分子名称: N-[5-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-5-({[(3R,4R)-3-fluoropiperidin-4-yl]methyl}amino)pyrazolo[1,5-a]pyrimidine-3-carboxamide, PHOSPHATE ION, Serine/threonine-protein kinase pim-1
著者Murray, J.M, Wallweber, H, Steffek, M.
登録日2013-04-04
公開日2013-05-15
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.082 Å)
主引用文献Discovery of novel pyrazolo[1,5-a]pyrimidines as potent pan-Pim inhibitors by structure- and property-based drug design.
Bioorg.Med.Chem.Lett., 23, 2013
4UNI
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BU of 4uni by Molmil
beta-(1,6)-galactosidase from Bifidobacterium animalis subsp. lactis Bl-04 in complex with galactose
分子名称: BETA-GALACTOSIDASE, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
著者Viborg, A.H, Fredslund, F, Katayama, T, Nielsen, S.K, Svensson, B, Kitaoka, M, Lo Leggio, L, Abou Hachem, M.
登録日2014-05-28
公開日2014-10-15
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献A beta 1-6/ beta 1-3 galactosidase from Bifidobacterium animalis subsp. lactis Bl-04 gives insight into sub-specificities of beta-galactoside catabolism within Bifidobacterium.
Mol. Microbiol., 2014

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