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7NK4
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BU of 7nk4 by Molmil
1918 H1N1 Viral influenza polymerase heterotrimer with Nb8203 core
分子名称: Nanobody 8203, Polymerase acidic protein, Polymerase basic protein 2,Polymerase basic protein 2, ...
著者Keown, J.R, Carrique, L, Fodor, E, Grimes, J.M.
登録日2021-02-17
公開日2021-12-01
最終更新日2022-02-09
実験手法ELECTRON MICROSCOPY (5.32 Å)
主引用文献Mapping inhibitory sites on the RNA polymerase of the 1918 pandemic influenza virus using nanobodies.
Nat Commun, 13, 2022
3LCG
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BU of 3lcg by Molmil
The D-sialic acid aldolase mutant V251L
分子名称: N-acetylneuraminate lyase, SULFATE ION
著者Chou, C.-Y, Wang, A.H.-J, Ko, T.-P.
登録日2010-01-11
公開日2011-01-19
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Modulation of substrate specificities of D-sialic acid aldolase through single mutations of Val251
To be Published
5HBU
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BU of 5hbu by Molmil
Structure of the E. coli nucleoid occlusion protein SlmA bound to DNA and the C-terminal tail of the cytoskeletal cell division protein FtsZ
分子名称: DNA (5'-D(*GP*TP*GP*AP*GP*TP*AP*CP*TP*CP*AP*C)-3'), FtsZ CTT peptide, Nucleoid occlusion factor SlmA
著者Schumacher, M.A, Zeng, W.
登録日2016-01-02
公開日2016-04-13
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structures of the nucleoid occlusion protein SlmA bound to DNA and the C-terminal domain of the cytoskeletal protein FtsZ.
Proc.Natl.Acad.Sci.USA, 113, 2016
3LD8
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BU of 3ld8 by Molmil
Structure of JMJD6 and Fab Fragments
分子名称: Bifunctional arginine demethylase and lysyl-hydroxylase JMJD6, FE (III) ION, GLYCEROL, ...
著者Hong, X, Zang, J, White, J, Kappler, J.W, Wang, C, Zhang, G.
登録日2010-01-12
公開日2010-08-04
最終更新日2012-06-20
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Interaction of JMJD6 with single-stranded RNA.
Proc.Natl.Acad.Sci.USA, 107, 2010
5HCO
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BU of 5hco by Molmil
Endothiapepsin in complex with hydrazide
分子名称: 4-(dimethylamino)benzohydrazide, ACETATE ION, DIMETHYL SULFOXIDE, ...
著者Radeva, N, Heine, A, Klebe, G.
登録日2016-01-04
公開日2017-01-11
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.17 Å)
主引用文献Crystallographic Fragment Screening of an Entire Library
To Be Published
6U4K
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BU of 6u4k by Molmil
Human talin2 residues 1-403
分子名称: Talin-2
著者Izard, T, Rangarajan, E.S, Colgan, L, Yasuda, R, Chinthalapudi, K.
登録日2019-08-26
公開日2020-07-08
最終更新日2020-09-23
実験手法X-RAY DIFFRACTION (2.555 Å)
主引用文献A distinct talin2 structure directs isoform specificity in cell adhesion.
J.Biol.Chem., 295, 2020
3LCX
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BU of 3lcx by Molmil
L-KDO aldolase
分子名称: N-acetylneuraminate lyase, SULFATE ION
著者Chou, C.-Y, Huang, K.-F, Wang, A.H.-J, Ko, T.-P.
登録日2010-01-12
公開日2011-01-19
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Modulation of substrate specificities of D-sialic acid aldolase through single mutations of Val251
To be Published
7SIS
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BU of 7sis by Molmil
SARS-CoV-2 Spike-derived peptide S976-984 (VLNDILSRL) presented by HLA-A*02:01
分子名称: ACETATE ION, Beta-2-microglobulin, CADMIUM ION, ...
著者Szeto, C, Gras, S.
登録日2021-10-14
公開日2022-11-23
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献The impact of SARS-CoV-2 spike mutation on peptide presentation is HLA allomorph-specific
Curr Res Struct Biol, 2024
5HCV
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BU of 5hcv by Molmil
Identification of Spirooxindole and Dibenzoxazepine Motifs as Potent Mineralocorticoid Receptor Antagonists
分子名称: 6-[(~{E})-(3-fluoranyl-6~{H}-benzo[c][1]benzoxepin-11-ylidene)methyl]-4~{H}-1,4-benzoxazin-3-one, CHLORIDE ION, Mineralocorticoid receptor
著者Chen, G, McKeever, B.M.
登録日2016-01-04
公開日2016-03-09
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Identification of spirooxindole and dibenzoxazepine motifs as potent mineralocorticoid receptor antagonists.
Bioorg.Med.Chem., 24, 2016
3LDN
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BU of 3ldn by Molmil
Crystal structure of human GRP78 (70kDa heat shock protein 5 / BIP) ATPase domain in apo form
分子名称: 78 kDa glucose-regulated protein
著者Dokurno, P, Surgenor, A.E, Shaw, T, Macias, A.T, Massey, A.J, Williamson, D.S.
登録日2010-01-13
公開日2011-01-26
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Adenosine-Derived Inhibitors of 78 kDa Glucose Regulated Protein (Grp78) ATPase: Insights into Isoform Selectivity.
J.Med.Chem., 54, 2011
7NK8
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BU of 7nk8 by Molmil
1918 H1N1 Viral influenza polymerase heterotrimer with Nb8205 core
分子名称: Nb8205, Polymerase acidic protein, Polymerase basic protein 2,Polymerase basic protein 2, ...
著者Keown, J.R, Carrique, L, Fodor, E, Grimes, J.M.
登録日2021-02-17
公開日2021-12-01
最終更新日2024-07-10
実験手法ELECTRON MICROSCOPY (5.34 Å)
主引用文献Mapping inhibitory sites on the RNA polymerase of the 1918 pandemic influenza virus using nanobodies.
Nat Commun, 13, 2022
5HCY
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BU of 5hcy by Molmil
EGFR kinase domain mutant "TMLR" with 3-carboxamide azaindole compound 13
分子名称: 6-[[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]amino]-~{N}-(oxan-4-yl)-1-propan-2-yl-pyrrolo[3,2-c]pyridine-3-carboxamide, Epidermal growth factor receptor, SULFATE ION
著者Eigenbrot, C, Yu, C.
登録日2016-01-04
公開日2016-09-07
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.46 Å)
主引用文献Discovery of a Noncovalent, Mutant-Selective Epidermal Growth Factor Receptor Inhibitor.
J.Med.Chem., 59, 2016
5HD7
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BU of 5hd7 by Molmil
Dissecting Therapeutic Resistance to ERK Inhibition Rat Mutant SCH772984 in complex with (3R)-1-(2-oxo-2-{4-[4-(pyrimidin-2-yl)phenyl]piperazin-1-yl}ethyl)-N-[3-(pyridin-4-yl)-2H-indazol-5-yl]pyrrolidine-3-carboxamide
分子名称: (3R)-1-(2-oxo-2-{4-[4-(pyrimidin-2-yl)phenyl]piperazin-1-yl}ethyl)-N-[3-(pyridin-4-yl)-2H-indazol-5-yl]pyrrolidine-3-carboxamide, Mitogen-activated protein kinase 1, SULFATE ION
著者Jha, S, Morris, E.J, Hruza, A, Mansueto, M.S, Schroeder, G, Arbanas, J, McMasters, D, Restaino, C.R, Dayananth, R, Black, S, Elsen, N.L, Mannarino, A, Cooper, A, Fawell, S, Zawel, L, Jayaraman, L, Samatar, A.A.
登録日2016-01-04
公開日2016-02-24
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献Dissecting Therapeutic Resistance to ERK Inhibition.
Mol.Cancer Ther., 15, 2016
3LDQ
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BU of 3ldq by Molmil
Crystal structure of HSC70/BAG1 in complex with small molecule inhibitor
分子名称: 8-[(quinolin-2-ylmethyl)amino]adenosine, BAG family molecular chaperone regulator 1, Heat shock cognate 71 kDa protein
著者Dokurno, P, Surgenor, A.E, Shaw, T, Macias, A.T, Massey, A.J, Williamson, D.S.
登録日2010-01-13
公開日2011-01-26
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Adenosine-Derived Inhibitors of 78 kDa Glucose Regulated Protein (Grp78) ATPase: Insights into Isoform Selectivity.
J.Med.Chem., 54, 2011
3LE5
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BU of 3le5 by Molmil
Crystal structure of HPr dimer from Thermoanaerobacter tengcongensis
分子名称: Phosphotransferase system, HPr-related proteins
著者Fu, T.M, Su, X.D.
登録日2010-01-14
公開日2010-12-15
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Dimerization of HPr by reversible domain swapping
To be Published
3LE2
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BU of 3le2 by Molmil
Structure of Arabidopsis AtSerpin1. Native Stressed Conformation
分子名称: ACETATE ION, GLYCEROL, SULFATE ION, ...
著者Harrop, S.J, Joss, T.V, Cumi, P.M.G, Roberts, T.H.
登録日2010-01-14
公開日2010-02-23
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Arabidopsis AtSerpin1, crystal structure and in vivo interaction with its target protease RESPONSIVE TO DESICCATION-21 (RD21).
J.Biol.Chem., 285, 2010
5HNG
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BU of 5hng by Molmil
DISCOVERY OF NOVEL 7-AZAINDOLES AS PDK1 INHIBITORS
分子名称: 3-phosphoinositide-dependent protein kinase 1, 6-methoxy-2-(1H-pyrazol-5-yl)-1H-benzimidazole, SULFATE ION
著者Wucherer-Plietker, M, Esdar, C, Knoechel, T, Hillertz, P, Heinrich, T, Buchstaller, H.P, Greiner, H, Dorsch, D, Calderini, M, Bruge, D, Mueller, T.J.J, Graedler, U.
登録日2016-01-18
公開日2016-06-08
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3.01 Å)
主引用文献Discovery of novel 7-azaindoles as PDK1 inhibitors.
Bioorg.Med.Chem.Lett., 26, 2016
5HNK
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BU of 5hnk by Molmil
Crystal structure of T5Fen in complex intact substrate and metal ions.
分子名称: DNA (5'-D(*AP*AP*AP*AP*GP*CP*GP*TP*AP*CP*GP*C)-3'), Exodeoxyribonuclease, GLYCEROL, ...
著者Almalki, F.A, Feng, M, Zhang, J, Sedelnikova, S.E, Rafferty, J.B, Sayers, J.R, Artymiuk, P.J.
登録日2016-01-18
公開日2016-06-01
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.22 Å)
主引用文献Direct observation of DNA threading in flap endonuclease complexes.
Nat.Struct.Mol.Biol., 23, 2016
5HPG
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BU of 5hpg by Molmil
STRUCTURE AND LIGAND DETERMINANTS OF THE RECOMBINANT KRINGLE 5 DOMAIN OF HUMAN PLASMINOGEN
分子名称: PLASMINOGEN
著者Tulinsky, A, Mochalkin, I, Castellino, F.J.
登録日1997-09-19
公開日1998-03-25
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (1.66 Å)
主引用文献Structure and ligand binding determinants of the recombinant kringle 5 domain of human plasminogen.
Biochemistry, 37, 1998
3LER
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BU of 3ler by Molmil
Crystal Structure of Dihydrodipicolinate Synthase from Campylobacter jejuni subsp. jejuni NCTC 11168
分子名称: 1,2-ETHANEDIOL, ACETIC ACID, DI(HYDROXYETHYL)ETHER, ...
著者Kim, Y, Zhou, M, Hasseman, J, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2010-01-15
公開日2010-01-26
最終更新日2018-05-30
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Crystal Structure of Dihydrodipicolinate Synthase from Campylobacter jejuni subsp. jejuni NCTC 11168
To be Published
5H5K
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BU of 5h5k by Molmil
ATP and CMP bound Crystal structure of thymidylate kinase (aq_969) from Aquifex Aeolicus VF5
分子名称: 1,2-ETHANEDIOL, ADENOSINE-5'-TRIPHOSPHATE, CYTIDINE-5'-MONOPHOSPHATE, ...
著者Biswas, A, Jeyakanthan, J, Sekar, K.
登録日2016-11-06
公開日2017-06-28
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.3 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
5H5X
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BU of 5h5x by Molmil
Crystal structure of NADH bound carbonyl reductase from Streptomyces coelicolor
分子名称: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, ISOPROPYL ALCOHOL, MAGNESIUM ION, ...
著者Kong, X.-D, Xu, J.-H, Zhou, J.
登録日2016-11-10
公開日2017-05-10
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structure of NADH bound carbonyl reductase from Streptomyces coelicolor
To Be Published
3LES
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BU of 3les by Molmil
2F5 Epitope scaffold ES2
分子名称: RNA polymerase sigma factor, SULFATE ION
著者Ofek, G, Guenaga, F.J, Schief, W.R, Skinner, J, Wyatt, R, Baker, D, Kwong, P.D.
登録日2010-01-15
公開日2010-09-29
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.77 Å)
主引用文献Elicitation of structure-specific antibodies by epitope scaffolds.
Proc.Natl.Acad.Sci.USA, 107, 2010
3LFZ
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BU of 3lfz by Molmil
Crystal Structure of Protein MJ1225 from Methanocaldococcus jannaschii, a putative archaeal homolog of g-AMPK.
分子名称: ADENOSINE MONOPHOSPHATE, ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ...
著者Gomez-Garcia, I, Oyenarte, I, Kortazar, D, Martinez-Cruz, L.A.
登録日2010-01-19
公開日2010-04-21
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献The crystal structure of protein MJ1225 from Methanocaldococcus jannaschii shows strong conservation of key structural features seen in the eukaryal gamma-AMPK.
J.Mol.Biol., 65, 2010
5HDK
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Crystal structure of heat shock factor 2-DBD
分子名称: CHLORIDE ION, Heat shock factor protein 2, POTASSIUM ION, ...
著者Feng, H, Liu, W, Wang, D.C.
登録日2016-01-05
公開日2017-01-11
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.32 Å)
主引用文献HSF1-DBD crystal structure
To Be Published

224004

件を2024-08-21に公開中

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