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5ZVA
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BU of 5zva by Molmil
APOBEC3F Chimeric Catalytic Domain in Complex with DNA(dC9)
分子名称: APEBEC3F/ssDNA-C9, CACODYLATE ION, DNA (5'-D(*AP*TP*TP*TP*TP*CP*AP*AP*CP*T)-3'), ...
著者Cheng, C, Zhang, T.L, Wang, C.X, Lan, W.X, Ding, J.P, Cao, C.Y.
登録日2018-05-09
公開日2018-11-21
最終更新日2018-11-28
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal Structure of Cytidine Deaminase Human APOBEC3F Chimeric Catalytic Domain in Complex with DNA
Chin.J.Chem., 36, 2018
4KNB
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BU of 4knb by Molmil
C-Met in complex with OSI ligand
分子名称: 7-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-[1-(piperidin-4-yl)-1H-pyrazol-4-yl]furo[3,2-c]pyridin-6-amine, GAMMA-BUTYROLACTONE, Hepatocyte growth factor receptor
著者Wang, J, Steinig, A.G, Li, A.H, Chen, X, Dong, H, Ferraro, C, Jin, M, Kadalbajoo, M, Kleinberg, A, Stolz, K.M, Tavares-Greco, P.A, Wang, T, Albertella, M.R, Peng, Y, Crew, L, Kahler, J.
登録日2013-05-09
公開日2014-04-30
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Novel 6-aminofuro[3,2-c]pyridines as potent, orally efficacious inhibitors of cMET and RON kinases.
Bioorg.Med.Chem.Lett., 23, 2013
2RLZ
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BU of 2rlz by Molmil
Solid-State MAS NMR structure of the dimer Crh
分子名称: HPr-like protein crh
著者Loquet, A, Bardiaux, B, Gardiennet, C, Blanchet, C, Baldus, M, Nilges, M, Malliavin, T, Bockmann, A.
登録日2007-09-04
公開日2008-06-17
最終更新日2024-05-29
実験手法SOLID-STATE NMR
主引用文献3D structure determination of the Crh protein from highly ambiguous solid-state NMR restraints.
J.Am.Chem.Soc., 130, 2008
4ASK
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BU of 4ask by Molmil
CRYSTAL STRUCTURE OF JMJD3 WITH GSK-J1
分子名称: 3-[[2-pyridin-2-yl-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidin-4-yl]amino]propanoic acid, COBALT (II) ION, LYSINE-SPECIFIC DEMETHYLASE 6B, ...
著者Chung, C, Mosley, J, Liddle, J.
登録日2012-05-01
公開日2012-07-25
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献A Selective Jumonji H3K27 Demethylase Inhibitor Modulates the Proinflammatory Macrophage Response
Nature, 488, 2012
3MA3
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BU of 3ma3 by Molmil
Crystal structure of human proto-oncogene serine threonine kinase (PIM1) in complex with a consensus peptide and a naphtho-difuran ligand
分子名称: Pimtide, Proto-oncogene serine/threonine-protein kinase pim-1, naphtho[2,1-b:7,6-b']difuran-2,8-dicarboxylic acid
著者Filippakopoulos, P, Bullock, A, Fedorov, O, Vollmar, M, von Delft, F, Cochet, C, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
登録日2010-03-23
公開日2010-04-14
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献New potent dual inhibitors of CK2 and Pim kinases: discovery and structural insights.
Faseb J., 24, 2010
3MEU
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BU of 3meu by Molmil
Crystal structure of SGF29 in complex with H3R2me2sK4me3
分子名称: Histone H3, SAGA-associated factor 29 homolog, SULFATE ION
著者Bian, C.B, Xu, C, Bountra, C, Arrowsmith, C.H, Weigelt, J, Edwards, A.M, Bochkarev, A, Min, J, Structural Genomics Consortium (SGC)
登録日2010-03-31
公開日2010-04-28
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.28 Å)
主引用文献Sgf29 binds histone H3K4me2/3 and is required for SAGA complex recruitment and histone H3 acetylation.
Embo J., 30, 2011
3MEV
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BU of 3mev by Molmil
Crystal structure of SGF29 in complex with R2AK4me3
分子名称: GLYCEROL, Histone H3, SAGA-associated factor 29 homolog, ...
著者Bian, C.B, Xu, C, Lam, R, Bountra, C, Arrowsmith, C.H, Weigelt, J, Edwards, A.M, Bochkarev, A, Min, J, Structural Genomics Consortium (SGC)
登録日2010-03-31
公開日2010-04-28
最終更新日2021-10-06
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Sgf29 binds histone H3K4me2/3 and is required for SAGA complex recruitment and histone H3 acetylation.
Embo J., 30, 2011
2BJE
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BU of 2bje by Molmil
Acylphosphatase from Sulfolobus solfataricus. Monclinic P21 space group
分子名称: ACYLPHOSPHATASE, CHLORIDE ION, SULFATE ION
著者Rosano, C, Zuccotti, S.
登録日2005-02-02
公開日2005-11-23
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure, Conformational Stability, and Enzymatic Properties of Acylphosphatase from the Hyperthermophile Sulfolobus Solfataricus.
Proteins: Struct., Funct., Bioinf., 62, 2006
6Q6Q
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BU of 6q6q by Molmil
Human aldehyde oxidase SNP G1269R
分子名称: Aldehyde oxidase, FE2/S2 (INORGANIC) CLUSTER, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Mota, C, Coelho, C, Santos-Silva, T, Romao, M.J.
登録日2018-12-11
公開日2019-05-01
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (3.10003781 Å)
主引用文献Human aldehyde oxidase (hAOX1): structure determination of the Moco-free form of the natural variant G1269R and biophysical studies of single nucleotide polymorphisms.
Febs Open Bio, 9, 2019
3MEW
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BU of 3mew by Molmil
Crystal structure of Novel Tudor domain-containing protein SGF29
分子名称: SAGA-associated factor 29 homolog
著者Xu, C, Bian, C.B, Lam, R, Bountra, C, Arrowsmith, C.H, Weigelt, J, Edwards, A.M, Bochkarev, A, Min, J, Structural Genomics Consortium (SGC)
登録日2010-03-31
公開日2010-04-28
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献Sgf29 binds histone H3K4me2/3 and is required for SAGA complex recruitment and histone H3 acetylation.
Embo J., 30, 2011
2BJD
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BU of 2bjd by Molmil
Sulfolobus Solfataricus Acylphosphatase. Triclinic space group
分子名称: ACYLPHOSPHATASE, CADMIUM ION, CHLORIDE ION, ...
著者Rosano, C, Zuccotti, S, Bolognesi, M.
登録日2005-02-02
公開日2005-11-23
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.27 Å)
主引用文献Structure, Conformational Stability, and Enzymatic Properties of Acylphosphatase from the Hyperthermophile Sulfolobus Solfataricus.
Proteins: Struct., Funct., Bioinf., 62, 2006
4AWI
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BU of 4awi by Molmil
Human Jnk1alpha kinase with 4-phenyl-7-azaindole IKK2 inhibitor.
分子名称: MITOGEN-ACTIVATED PROTEIN KINASE 8, N-(1,1-dioxidotetrahydro-2H-thiopyran-4-yl)-4-[2-(1-methylethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]benzenesulfonamide, SULFATE ION
著者Chung, C, Vicentini, G, Liddle, J, Bamborough, P.
登録日2012-06-03
公開日2013-05-01
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献4-Phenyl-7-Azaindoles as Potent, Selective and Bioavailable Ikk2 Inhibitors Demonstrating Good in Vivo Efficacy.
Bioorg.Med.Chem.Lett., 22, 2012
4K77
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BU of 4k77 by Molmil
JAK1 kinase (JH1 domain) in complex with compound 6
分子名称: 4-(cyclohexylamino)pyrido[3,4-d]pyrimidin-8(7H)-one, Tyrosine-protein kinase JAK1
著者Eigenbrot, C, Shia, S.
登録日2013-04-16
公開日2013-10-02
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Design and evaluation of novel 8-oxo-pyridopyrimidine Jak1/2 inhibitors.
Bioorg.Med.Chem.Lett., 23, 2013
7B4R
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BU of 7b4r by Molmil
Structure of the 4'-phosphopantetheinyl transferase PptAb from Mycobacterium abscessus in complex with Coenzyme A and N-(2,6-diethylphenyl)-N'-(N-ethylcarbamimidoyl)urea
分子名称: COENZYME A, MANGANESE (II) ION, N-(2,6-diethylphenyl)-N'-(N-ethylcarbamimidoyl)urea, ...
著者Maveyraud, L, Carivenc, C, Blanger, C, Mourey, L.
登録日2020-12-02
公開日2021-11-10
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Phosphopantetheinyl transferase binding and inhibition by amidino-urea and hydroxypyrimidinethione compounds.
Sci Rep, 11, 2021
7B4S
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BU of 7b4s by Molmil
Structure of the 4'-phosphopantetheinyl transferase PptAb from Mycobacterium abscessus in complex with Coenzyme A and compound 153786 from the NCI Open Database
分子名称: 5-[(4-chlorophenyl)methyl]-6-[[2-(dimethylamino)ethylamino]methyl]-4-oxidanyl-1~{H}-pyrimidine-2-thione, COENZYME A, MANGANESE (II) ION, ...
著者Maveyraud, L, Carivenc, C, Mourey, L.
登録日2020-12-02
公開日2021-11-10
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.38 Å)
主引用文献Phosphopantetheinyl transferase binding and inhibition by amidino-urea and hydroxypyrimidinethione compounds.
Sci Rep, 11, 2021
2UW2
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BU of 2uw2 by Molmil
Crystal structure of human ribonucleotide reductase subunit R2
分子名称: FE (III) ION, RIBONUCLEOSIDE-DIPHOSPHATE REDUCTASE M2 SUBUNIT
著者Welin, M, Ogg, D, Arrowsmith, C, Berglund, H, Busam, R, Collins, R, Edwards, A, Ehn, M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Hallberg, B.M, Holmberg Schiavone, L, Hogbom, M, Kotenyova, T, Magnusdottir, A, Moche, M, Nilsson-Ehle, P, Nyman, T, Persson, C, Sagemark, J, Sundstrom, M, Stenmark, P, Uppenberg, J, Thorsell, A.G, Van Den Berg, S, Wallden, K, Weigelt, J, Nordlund, P.
登録日2007-03-16
公開日2007-04-03
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Crystal Structure of Human Ribonucleotide Reductase Subunit R2
To be Published
4KTE
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BU of 4kte by Molmil
Fab fragment of HIV vaccine-elicited CD4bs-directed antibody, GE148, from non-human primate
分子名称: GE148 Heavy Chain Fab, GE148 Light Chain Fab, GLYCEROL, ...
著者Poulsen, C, Tran, K, Stanfield, R, Wyatt, R.T.
登録日2013-05-20
公開日2014-02-05
最終更新日2019-12-25
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Vaccine-elicited primate antibodies use a distinct approach to the HIV-1 primary receptor binding site informing vaccine redesign.
Proc.Natl.Acad.Sci.USA, 111, 2014
7SX3
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BU of 7sx3 by Molmil
Human NALCN-FAM155A-UNC79-UNC80 channelosome with CaM bound, conformation 1/2
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-[(PALMITOYLOXY)METHYL]ETHYL STEARATE, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Kschonsak, M, Chua, H.C, Weidling, C, Chakouri, N, Noland, C.L, Schott, K, Chang, T, Tam, C, Patel, N, Arthur, C.P, Leitner, A, Ben-Johny, M, Ciferri, C, Pless, S.A, Payandeh, J.
登録日2021-11-22
公開日2021-12-29
最終更新日2024-10-09
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Structural architecture of the human NALCN channelosome.
Nature, 603, 2022
2UZP
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BU of 2uzp by Molmil
Crystal structure of the C2 domain of human protein kinase C gamma.
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, COBALT (II) ION, ...
著者Pike, A.C.W, Amos, A, Johansson, C, Sobott, F, Savitsky, P, Berridge, G, Fedorov, O, Umeano, C, Gorrec, F, Bunkoczi, G, Debreczeni, J, von Delft, F, Arrowsmith, C.H, Edwards, A, Weigelt, J, Sundstrom, M, Knapp, S.
登録日2007-04-30
公開日2007-05-29
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal Structure of C2 Domain of Protein Kinase C Gamma
To be Published
2VAF
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Crystal structure of Human Cardiac Calsequestrin
分子名称: CALSEQUESTRIN-2
著者Kim, E, Youn, B, Kemper, L, Campbell, C, Milting, H, Varsanyi, M, Kang, C.
登録日2007-08-31
公開日2007-09-11
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (3.8 Å)
主引用文献Characterization of Human Cardiac Calsequestrin and its Deleterious Mutants.
J.Mol.Biol., 373, 2007
7SX4
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Human NALCN-FAM155A-UNC79-UNC80 channelosome with CaM bound, conformation 2/2
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-[(PALMITOYLOXY)METHYL]ETHYL STEARATE, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Kschonsak, M, Chua, H.C, Weidling, C, Chakouri, N, Noland, C.L, Schott, K, Chang, T, Tam, C, Patel, N, Arthur, C.P, Leitner, A, Ben-Johny, M, Ciferri, C, Pless, S.A, Payandeh, J.
登録日2021-11-22
公開日2021-12-29
最終更新日2024-10-16
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Structural architecture of the human NALCN channelosome.
Nature, 603, 2022
2UZ6
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AChBP-targeted a-conotoxin correlates distinct binding orientations with nAChR subtype selectivity.
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, ALPHA-CONOTOXIN TXIA(A10L), GLYCEROL, ...
著者Ulens, C, Dutertre, S, Buttner, R, Fish, A, van Elk, R, Kendel, Y, Hopping, G, Alewood, P.F, Schroeder, C, Nicke, A, Smit, A.B, Sixma, T.K, Lewis, R.J.
登録日2007-04-25
公開日2007-08-07
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Achbp-Targeted Alpha-Conotoxin Correlates Distinct Binding Orientations with Nachr Subtype Selectivity
Embo J., 26, 2007
6Q6P
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Antarctic fish cytoglobin 1 from D.mawsoni
分子名称: Cytoglobin, PROTOPORPHYRIN IX CONTAINING FE
著者Giordano, D, Pesce, A, Vermeylen, S, Abbruzzetti, S, Nardini, M, Marchesani, F, Berghmans, H, Seira, C, Bruno, S, Luque, F.J, di Prisco, G, Ascenzi, P, Dewilde, S, Bolognesi, M, Viappiani, C, Verde, C.
登録日2018-12-11
公開日2020-01-15
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structural and functional properties of Antarctic fish cytoglobins-1: Cold-reactivity in multi-ligand reactions.
Comput Struct Biotechnol J, 18, 2020
2V5P
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COMPLEX STRUCTURE OF HUMAN IGF2R DOMAINS 11-13 BOUND TO IGF-II
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CATION-INDEPENDENT MANNOSE-6-PHOSPHATE RECEPTOR, INSULIN-LIKE GROWTH FACTOR II, ...
著者Brown, J, Delaine, C, Zaccheo, O.J, Siebold, C, Gilbert, R.J, van Boxel, G, Denley, A, Wallace, J.C, Hassan, A.B, Forbes, B.E, Jones, E.Y.
登録日2007-07-06
公開日2007-12-11
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (4.1 Å)
主引用文献Structure and Functional Analysis of the Igf-II/Igf2R Interaction
Embo J., 27, 2008
4AWL
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The NF-Y transcription factor is structurally and functionally a sequence specific histone
分子名称: HSP70 PROMOTER FRAGMENT, NUCLEAR TRANSCRIPTION FACTOR Y SUBUNIT ALPHA, NUCLEAR TRANSCRIPTION FACTOR Y SUBUNIT BETA, ...
著者Nardini, M, Gnesutta, N, Donati, G, Gatta, R, Forni, C, Fossati, A, Vonrhein, C, Moras, D, Romier, C, Mantovani, R, Bolognesi, M.
登録日2012-06-04
公開日2013-01-30
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (3.08 Å)
主引用文献Sequence-Specific Transcription Factor NF-Y Displays Histone-Like DNA Binding and H2B-Like Ubiquitination.
Cell(Cambridge,Mass.), 152, 2013

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