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4YC8
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C-Helix-Out Binding of Dasatinib Analog to c-Abl Kinase
分子名称: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-({6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl}amino)-N-(4-phenoxyphenyl)-1,3-thiazole-5-carboxamide, ...
著者Kwarcinski, F.E, Brandvold, K.B, Johnson, T.J, Phadke, S, Meagher, J.L, Seeliger, M.A, Stuckey, J.A, Soellner, M.B.
登録日2015-02-19
公開日2016-03-02
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Conformation-Selective Analogues of Dasatinib Reveal Insight into Kinase Inhibitor Binding and Selectivity.
Acs Chem.Biol., 11, 2016
4YF0
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BU of 4yf0 by Molmil
HU38-19bp
分子名称: DNA-binding protein HU-alpha, synthetic DNA strand
著者Hammel, M, Reyes, F.E, Parpana, R, Tainer, J.A, Adhya, S, Amlanjyoti, D.
登録日2015-02-24
公開日2016-06-29
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.79 Å)
主引用文献HU multimerization shift controls nucleoid compaction.
Sci Adv, 2, 2016
4YKR
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BU of 4ykr by Molmil
Heat Shock Protein 90 Bound to CS302
分子名称: 1-(2,4-dihydroxy-5-propylphenyl)-1,3-dihydro-2H-benzimidazol-2-one, GLYCEROL, Heat shock protein HSP 90-alpha
著者Kang, Y.N, Stuckey, J.A.
登録日2015-03-04
公開日2016-03-09
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.61 Å)
主引用文献Structure of Heat Shock Protein 90 Bound to CS302
To Be Published
4YLE
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BU of 4yle by Molmil
Crystal structure of an ABC transpoter solute binding protein (IPR025997) from Burkholderia multivorans (Bmul_1631, Target EFI-511115) with an unknown ligand modelled as alpha-D-erythrofuranose
分子名称: Periplasmic binding protein/LacI transcriptional regulator, UNKNOWN LIGAND
著者Vetting, M.W, Al Obaidi, N.F, Toro, R, Morisco, L.L, Benach, J, Koss, J, Wasserman, S.R, Attonito, J.D, Scott Glenn, A, Chamala, S, Chowdhury, S, Lafleur, J, Love, J, Seidel, R.D, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
登録日2015-03-05
公開日2015-04-15
最終更新日2019-12-25
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal structure of an ABC transporter solute binding protein (IPR025997) from Burkholderia multivorans (Bmul_1631, Target EFI-511115) with an unknown ligand modelled as alpha-D-erythrofuranose
To be published
4YPX
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BU of 4ypx by Molmil
Crystal structure of TrmD, a M1G37 tRNA Methyltransferase with SAM-competitive compounds
分子名称: 6-aminopyridine-3-carboxamide, tRNA (guanine-N(1)-)-methyltransferase
著者Elkins, P.A, Bonnette, W.G, Stuckey, J.A.
登録日2015-03-13
公開日2016-03-16
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Crystal structure of TrmD, a M1G37 tRNA Methyltransferase with SAM-competitive compounds
To Be Published
4YQZ
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BU of 4yqz by Molmil
Crystal Structure of a putative oxidoreductase from Thermus Thermophilus HB27 (TT_P0034, TARGET EFI-513932) in its APO form
分子名称: CHLORIDE ION, Putative oxidoreductase
著者Yadava, U, Vetting, M.W, Al Obaidi, N.F, Toro, R, Morisco, L.L, Benach, J, Koss, J, Wasserman, S.R, Attonito, J.D, Scott Glenn, A, Chamala, S, Chowdhury, S, Lafleur, J, Love, J, Seidel, R.D, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
登録日2015-03-13
公開日2015-03-25
実験手法X-RAY DIFFRACTION (1.807 Å)
主引用文献Crystal Structure of a putative oxidoreductase from Thermus Thermophilus HB27 (TT_P0034, TARGET EFI-513932) in its APO form
To be published
4YM9
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BU of 4ym9 by Molmil
Crystal structure of Porcine Pancreatic Elastase (PPE) in complex with the novel inhibitor JM102
分子名称: 2-ethyl-2-(hydroxymethyl)-N-(6-methylpyridin-3-yl)butanamide, ACETATE ION, Chymotrypsin-like elastase family member 1, ...
著者Hofbauer, S, Brito, J.A, Mulchande, J, Nogly, P, Pessanha, M, Moreira, R, Archer, M.
登録日2015-03-06
公開日2016-06-29
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Clickable 4-Oxo-beta-lactam-Based Selective Probing for Human Neutrophil Elastase Related Proteomes.
ChemMedChem, 11, 2016
1CCM
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BU of 1ccm by Molmil
DIRECT NOE REFINEMENT OF CRAMBIN FROM 2D NMR DATA USING A SLOW-COOLING ANNEALING PROTOCOL
分子名称: CRAMBIN
著者Bonvin, A.M.J.J, Rullmann, J.A.C, Lamerichs, R.M.J.N, Boelens, R, Kaptein, R.
登録日1993-04-14
公開日1993-10-31
最終更新日2017-11-29
実験手法SOLUTION NMR
主引用文献"Ensemble" iterative relaxation matrix approach: a new NMR refinement protocol applied to the solution structure of crambin.
Proteins, 15, 1993
6ZOZ
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BU of 6zoz by Molmil
Structure of Disulphide-stabilized SARS-CoV-2 Spike Protein Trimer (x1 disulphide-bond mutant, S383C, D985C, K986P, V987P, single Arg S1/S2 cleavage site) in Locked State
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, BILIVERDINE IX ALPHA, ...
著者Xiong, X, Qu, K, Scheres, S.H.W, Briggs, J.A.G.
登録日2020-07-08
公開日2020-07-22
最終更新日2022-03-02
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献A thermostable, closed SARS-CoV-2 spike protein trimer.
Nat.Struct.Mol.Biol., 27, 2020
6ZOY
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BU of 6zoy by Molmil
Structure of Disulphide-stabilized SARS-CoV-2 Spike Protein Trimer (x1 disulphide-bond mutant, S383C, D985C, K986P, V987P, single Arg S1/S2 cleavage site) in Closed State
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, Spike glycoprotein
著者Xiong, X, Qu, K, Scheres, S.H.W, Briggs, J.A.G.
登録日2020-07-08
公開日2020-07-22
最終更新日2021-06-02
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献A thermostable, closed SARS-CoV-2 spike protein trimer.
Nat.Struct.Mol.Biol., 27, 2020
6ZP0
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BU of 6zp0 by Molmil
Structure of SARS-CoV-2 Spike Protein Trimer (single Arg S1/S2 cleavage site) in Closed State
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, Spike glycoprotein
著者Xiong, X, Qu, K, Scheres, S.H.W, Briggs, J.A.G.
登録日2020-07-08
公開日2020-07-22
最終更新日2021-06-02
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献A thermostable, closed SARS-CoV-2 spike protein trimer.
Nat.Struct.Mol.Biol., 27, 2020
6ZOX
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BU of 6zox by Molmil
Structure of Disulphide-stabilized SARS-CoV-2 Spike Protein Trimer (x2 disulphide-bond mutant, G413C, V987C, single Arg S1/S2 cleavage site)
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, Spike glycoprotein
著者Xiong, X, Qu, K, Scheres, S.H.W, Briggs, J.A.G.
登録日2020-07-08
公開日2020-07-22
最終更新日2021-06-02
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献A thermostable, closed SARS-CoV-2 spike protein trimer.
Nat.Struct.Mol.Biol., 27, 2020
6ZP2
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BU of 6zp2 by Molmil
Structure of SARS-CoV-2 Spike Protein Trimer (K986P, V987P, single Arg S1/S2 cleavage site) in Locked State
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, BILIVERDINE IX ALPHA, ...
著者Xiong, X, Qu, K, Scheres, S.H.W, Briggs, J.A.G.
登録日2020-07-08
公開日2020-07-22
最終更新日2022-03-02
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献A thermostable, closed SARS-CoV-2 spike protein trimer.
Nat.Struct.Mol.Biol., 27, 2020
6ZP1
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BU of 6zp1 by Molmil
Structure of SARS-CoV-2 Spike Protein Trimer (K986P, V987P, single Arg S1/S2 cleavage site) in Closed State
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, Spike glycoprotein
著者Xiong, X, Qu, K, Scheres, S.H.W, Briggs, J.A.G.
登録日2020-07-08
公開日2020-07-22
最終更新日2021-06-02
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献A thermostable, closed SARS-CoV-2 spike protein trimer.
Nat.Struct.Mol.Biol., 27, 2020
4DJB
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BU of 4djb by Molmil
A Structural Basis for the Assembly and Functions of a Viral Polymer that Inactivates Multiple Tumor Suppressors
分子名称: E4-ORF3
著者Ou, H.D, Kwiatkowski, W, Deerinck, T.J, Noske, A, Blain, K.Y, Land, H.S, Soria, C, Powers, C.J, May, A.P, Shu, X, Tsien, R.Y, Fitzpatrick, J.A.J, Long, J.A, Ellisman, M.H, Choe, S, O'Shea, C.C.
登録日2012-02-01
公開日2012-10-31
最終更新日2018-01-24
実験手法X-RAY DIFFRACTION (2.053 Å)
主引用文献A Structural Basis for the Assembly and Functions of a Viral Polymer that Inactivates Multiple Tumor Suppressors.
Cell(Cambridge,Mass.), 151, 2012
2BVD
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BU of 2bvd by Molmil
HOW FAMILY 26 GLYCOSIDE HYDROLASES ORCHESTRATE CATALYSIS ON DIFFERENT POLYSACCHARIDES. STRUCTURE AND ACTIVITY OF A CLOSTRIDIUM THERMOCELLUM LICHENASE, CtLIC26A
分子名称: (3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)piperidin-3-yl beta-D-glucopyranoside, ENDOGLUCANASE H
著者Taylor, E.J, Goyal, A, Guerreiro, C.I.P.D, Prates, J.A.M, Money, V.A, Ferry, N, Morland, C, Planas, A, Macdonald, J.A, Stick, R.V, Gilbert, H.J, Fontes, C.M.G.A, Davies, G.J.
登録日2005-06-27
公開日2005-06-30
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献How Family 26 Glycoside Hydrolases Orchestrate Catalysis on Different Polysaccharides: Structure and Activity of a Clostridium Thermocellum Lichenase, Ctlic26A.
J.Biol.Chem., 280, 2005
2BV9
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HOW FAMILY 26 GLYCOSIDE HYDROLASES ORCHESTRATE CATALYSIS ON DIFFERENT POLYSACCHARIDES. STRUCTURE AND ACTIVITY OF A CLOSTRIDIUM THERMOCELLUM LICHENASE, CtLIC26A
分子名称: ENDOGLUCANASE H
著者Taylor, E.J, Goyal, A, Guerreiro, C.I.P.D, Prates, J.A.M, Money, V.A, Ferry, N, Morland, C, Planas, A, Macdonald, J.A, Stick, R.V, Gilbert, H.J, Fontes, C.M.G.A, Davies, G.J.
登録日2005-06-23
公開日2005-06-30
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献How Family 26 Glycoside Hydrolases Orchestrate Catalysis on Different Polysaccharides: Structure and Activity of a Clostridium Thermocellum Lichenase, Ctlic26A.
J.Biol.Chem., 280, 2005
1HD4
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BU of 1hd4 by Molmil
SOLUTION STRUCTURE OF THE A-SUBUNIT OF HUMAN CHORIONIC GONADOTROPIN [MODELED WITH DIANTENNARY GLYCAN AT ASN78]
分子名称: CHORIONIC GONADOTROPIN, beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
著者Erbel, P.J.A, Karimi-Nejad, Y, van Kuik, J.A, Boelens, R, Kamerling, J.P, Vliegenthart, J.F.G.
登録日2000-11-07
公開日2000-12-07
最終更新日2020-07-29
実験手法SOLUTION NMR
主引用文献Effects of the N-Linked Glycans on the 3D Structure of the Free A-Subunit of Human Chorionic Gonadotropin
Biochemistry, 39, 2000
4RMF
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BU of 4rmf by Molmil
Biochemical and structural characterization of mycobacterial aspartyl-tRNA synthetase AspS, a promising TB drug target
分子名称: 2,2-bis(hydroxymethyl)propane-1,3-diol, Aspartate--tRNA(Asp/Asn) ligase, FORMIC ACID
著者Cox, J.A.G, Gurcha, S.S, Veeraraghavan, U, Besra, G.S, Futterer, K.
登録日2014-10-21
公開日2014-11-19
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Biochemical and Structural Characterization of Mycobacterial Aspartyl-tRNA Synthetase AspS, a Promising TB Drug Target.
Plos One, 9, 2014
4UNM
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BU of 4unm by Molmil
Structure of Galactose Oxidase homologue from Streptomyces lividans
分子名称: ACETATE ION, COPPER (II) ION, SECRETED PROTEIN
著者Chaplin, A.K, Hough, M.A, Worrall, J.A.R.
登録日2014-05-29
公開日2015-06-10
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献Glxa is a New Structural Member of the Radical Copper Oxidase Family and is Required for Glycan Deposition at Hyphal Tips and Morphogenesis of Streptomyces Lividans.
Biochem.J., 469, 2015
1LCC
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STRUCTURE OF THE COMPLEX OF LAC REPRESSOR HEADPIECE AND AN 11 BASE-PAIR HALF-OPERATOR DETERMINED BY NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY AND RESTRAINED MOLECULAR DYNAMICS
分子名称: DNA (5'-D(*AP*AP*TP*TP*GP*TP*GP*AP*GP*CP*G)-3'), DNA (5'-D(*CP*GP*CP*TP*CP*AP*CP*AP*AP*TP*T)-3'), Lac Repressor, ...
著者Chuprina, V.P, Rullmann, J.A.C, Lamerichs, R.M.J.N, Van Boom, J.H, Boelens, R, Kaptein, R.
登録日1993-03-25
公開日1994-01-31
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Structure of the complex of lac repressor headpiece and an 11 base-pair half-operator determined by nuclear magnetic resonance spectroscopy and restrained molecular dynamics.
J.Mol.Biol., 234, 1993
1LCD
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BU of 1lcd by Molmil
STRUCTURE OF THE COMPLEX OF LAC REPRESSOR HEADPIECE AND AN 11 BASE-PAIR HALF-OPERATOR DETERMINED BY NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY AND RESTRAINED MOLECULAR DYNAMICS
分子名称: DNA (5'-D(*AP*AP*TP*TP*GP*TP*GP*AP*GP*CP*G)-3'), DNA (5'-D(*CP*GP*CP*TP*CP*AP*CP*AP*AP*TP*T)-3'), Lac Repressor, ...
著者Chuprina, V.P, Rullmann, J.A.C, Lamerichs, R.M.J.N, Van Boom, J.H, Boelens, R, Kaptein, R.
登録日1993-03-25
公開日1994-01-31
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Structure of the complex of lac repressor headpiece and an 11 base-pair half-operator determined by nuclear magnetic resonance spectroscopy and restrained molecular dynamics.
J.Mol.Biol., 234, 1993
1FKY
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NMR STUDY OF B-DNA CONTAINING A MISMATCHED BASE PAIR IN THE 29-39 K-RAS GENE SEQUENCE: CC CT C+C C+T, 2 STRUCTURES
分子名称: DNA (5'-D(*GP*AP*GP*CP*TP*TP*GP*TP*GP*GP*C)-3'), DNA (5'-D(*GP*CP*CP*AP*CP*CP*AP*GP*CP*TP*C)-3')
著者Boulard, Y, Cognet, J.A.H, Fazakerley, G.V.
登録日1996-10-09
公開日1997-04-01
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Solution structure as a function of pH of two central mismatches, C . T and C . C, in the 29 to 39 K-ras gene sequence, by nuclear magnetic resonance and molecular dynamics.
J.Mol.Biol., 268, 1997
1FKZ
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NMR STUDY OF B-DNA CONTAINING A MISMATCHED BASE PAIR IN THE 29-39 K-RAS GENE SEQUENCE: CC CT C+C C+T, 2 STRUCTURES
分子名称: DNA (5'-D(*GP*AP*GP*CP*TP*CP*GP*TP*GP*GP*C)-3'), DNA (5'-D(*GP*CP*CP*AP*CP*CP*AP*GP*CP*TP*C)-3')
著者Boulard, Y, Cognet, J.A.H, Fazakerley, G.V.
登録日1996-10-09
公開日1997-03-12
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Solution structure as a function of pH of two central mismatches, C . T and C . C, in the 29 to 39 K-ras gene sequence, by nuclear magnetic resonance and molecular dynamics.
J.Mol.Biol., 268, 1997
5LZM
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COMPARISON OF THE CRYSTAL STRUCTURE OF BACTERIOPHAGE T4 LYSOZYME AT LOW, MEDIUM, AND HIGH IONIC STRENGTHS
分子名称: BETA-MERCAPTOETHANOL, CHLORIDE ION, T4 LYSOZYME
著者Bell, J.A, Wilson, K, Zhang, X.-J, Faber, H.R, Nicholson, H, Matthews, B.W.
登録日1991-01-25
公開日1992-07-15
最終更新日2021-06-30
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Comparison of the crystal structure of bacteriophage T4 lysozyme at low, medium, and high ionic strengths.
Proteins, 10, 1991

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