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5FFT
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BU of 5fft by Molmil
Crystal Structure of Surfactant Protein-A Y221A Mutant
分子名称: CALCIUM ION, Pulmonary surfactant-associated protein A
著者Goh, B.C, Wu, H, Rynkiewicz, M.J, Schulten, K, Seaton, B.A, McCormack, F.X.
登録日2015-12-18
公開日2016-07-06
最終更新日2025-04-02
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Elucidation of Lipid Binding Sites on Lung Surfactant Protein A Using X-ray Crystallography, Mutagenesis, and Molecular Dynamics Simulations.
Biochemistry, 55, 2016
4O66
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Crystal Structure of SMARCAL1 HARP substrate recognition domain
分子名称: SODIUM ION, SULFATE ION, SWI/SNF-related matrix-associated actin-dependent regulator of chromatin subfamily A-like protein 1
著者Mason, A.C, Eichman, B.F.
登録日2013-12-20
公開日2014-05-14
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献A structure-specific nucleic acid-binding domain conserved among DNA repair proteins.
Proc.Natl.Acad.Sci.USA, 111, 2014
6RGK
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BU of 6rgk by Molmil
Crystal structure of T. brucei PDE-B1 catalytic domain with inhibitor NPD-055
分子名称: 3-[5-[(4~{a}~{R},8~{a}~{S})-3-cycloheptyl-4-oxidanylidene-4~{a},5,6,7,8,8~{a}-hexahydrophthalazin-1-yl]-2-methoxy-phenyl]-~{N}-butyl-prop-2-ynamide, FORMIC ACID, GLYCEROL, ...
著者Singh, A.K, Brown, D.G.
登録日2019-04-16
公開日2019-07-24
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Alkynamide phthalazinones as a new class of TbrPDEB1 inhibitors (Part 2).
Bioorg.Med.Chem., 27, 2019
7UC5
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BU of 7uc5 by Molmil
Crystal Structure of HLA A*0301 in complex with ILRGSVAHK, a 9-mer epitope from Influenza A
分子名称: Beta-2-microglobulin, HLA class I histocompatibility antigen, A alpha chain, ...
著者Gras, S, Nguyen, A.T, Szeto, C.
登録日2022-03-16
公開日2022-10-12
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献CD8+ T cells cross-recognise conserved influenza A and B homologous epitopes
to be published
5LXM
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BU of 5lxm by Molmil
Crystal structure of Aurora-A bound to a hydrocarbon-stapled proteomimetic of TPX2
分子名称: 1-ETHOXY-2-(2-ETHOXYETHOXY)ETHANE, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ADENOSINE-5'-DIPHOSPHATE, ...
著者McIntyre, P.J, Bayliss, R.
登録日2016-09-22
公開日2016-11-02
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献A TPX2 Proteomimetic Has Enhanced Affinity for Aurora-A Due to Hydrocarbon Stapling of a Helix.
ACS Chem. Biol., 11, 2016
2WPW
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BU of 2wpw by Molmil
Tandem GNAT protein from the clavulanic acid biosynthesis pathway (without AcCoA)
分子名称: ACETYL COENZYME *A, ORF14
著者Iqbal, A, Arunlanantham, H, McDonough, M.A, Chowdhury, R, Clifton, I.J.
登録日2009-08-11
公開日2009-12-29
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2.38 Å)
主引用文献Crystallographic and mass spectrometric analyses of a tandem GNAT protein from the clavulanic acid biosynthesis pathway.
Proteins, 78, 2010
6RB6
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BU of 6rb6 by Molmil
Crystal structure of T. brucei PDE-B1 catalytic domain with inhibitor NPD-053
分子名称: 1,2-ETHANEDIOL, 3-[5-[(4~{a}~{R},8~{a}~{S})-3-cycloheptyl-4-oxidanylidene-4~{a},5,8,8~{a}-tetrahydrophthalazin-1-yl]-2-methoxy-phenyl]-~{N}-(furan-2-ylmethyl)prop-2-ynamide, FORMIC ACID, ...
著者Singh, A.K, Brown, D.G.
登録日2019-04-09
公開日2019-07-24
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Alkynamide phthalazinones as a new class of TbrPDEB1 inhibitors (Part 2).
Bioorg.Med.Chem., 27, 2019
6RCW
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BU of 6rcw by Molmil
Crystal structure of human phosphodiesterase 4D2 catalytic domain with inhibitor NPD-053
分子名称: 1,2-ETHANEDIOL, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 3-[5-[(4~{a}~{R},8~{a}~{S})-3-cycloheptyl-4-oxidanylidene-4~{a},5,8,8~{a}-tetrahydrophthalazin-1-yl]-2-methoxy-phenyl]-~{N}-(furan-2-ylmethyl)prop-2-ynamide, ...
著者Singh, A.K, Brown, D.G.
登録日2019-04-11
公開日2019-07-24
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献Alkynamide phthalazinones as a new class of TbrPDEB1 inhibitors (Part 2).
Bioorg.Med.Chem., 27, 2019
6SEF
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BU of 6sef by Molmil
Class2C : CENP-A nucleosome in complex with CENP-C central region
分子名称: Centromere protein C, DNA (145-MER), Histone H2A type 2-A, ...
著者Ali-Ahmad, A, Bilokapic, S, Schafer, I.B, Halic, M, Sekulic, N.
登録日2019-07-29
公開日2019-08-14
最終更新日2024-05-22
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献CENP-C unwraps the human CENP-A nucleosome through the H2A C-terminal tail.
Embo Rep., 20, 2019
5TC4
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BU of 5tc4 by Molmil
Crystal structure of human mitochondrial methylenetetrahydrofolate dehydrogenase-cyclohydrolase (MTHFD2) in complex with LY345899 and cofactors
分子名称: 4-(7-AMINO-9-HYDROXY-1-OXO-3,3A,4,5-TETRAHYDRO-2,5,6,8,9B-PENTAAZA-CYCLOPENTA[A]NAPHTHALEN-2-YL)-PHENYLCARBONYL-GLUTAMI C ACID, Bifunctional methylenetetrahydrofolate dehydrogenase/cyclohydrolase, mitochondrial, ...
著者Gustafsson, R, Jemth, A.-S, Gustafsson Sheppard, N, Farnegardh, K, Loseva, O, Wiita, E, Bonagas, N, Dahllund, L, Llona-Minguez, S, Haggblad, M, Henriksson, M, Andersson, Y, Homan, E, Helleday, T, Stenmark, P.
登録日2016-09-14
公開日2016-12-14
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Crystal Structure of the Emerging Cancer Target MTHFD2 in Complex with a Substrate-Based Inhibitor.
Cancer Res., 77, 2017
821P
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BU of 821p by Molmil
THREE-DIMENSIONAL STRUCTURES AND PROPERTIES OF A TRANSFORMING AND A NONTRANSFORMING GLYCINE-12 MUTANT OF P21H-RAS
分子名称: C-H-RAS P21 PROTEIN, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER
著者Scheidig, A.J, Krengel, U, Pai, E.F, Kabsch, W, Wittinghofer, A, Goody, R.S.
登録日1993-03-29
公開日1994-01-31
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Three-dimensional structures and properties of a transforming and a nontransforming glycine-12 mutant of p21H-ras.
Biochemistry, 32, 1993
6QX8
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BU of 6qx8 by Molmil
Influenza A virus (A/NT/60/1968) polymerase dimer of heterotrimer in complex with 5' cRNA promoter
分子名称: Polymerase acidic protein, Polymerase basic protein 2, RNA (5'-R(P*AP*GP*CP*AP*AP*AP*AP*GP*CP*AP*GP*A)-3'), ...
著者Carrique, L, Keown, J.R, Fan, H, Fodor, E, Grimes, J.M.
登録日2019-03-07
公開日2019-09-04
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (4.07 Å)
主引用文献Structures of influenza A virus RNA polymerase offer insight into viral genome replication.
Nature, 573, 2019
1B20
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BU of 1b20 by Molmil
DELETION OF A BURIED SALT-BRIDGE IN BARNASE
分子名称: PROTEIN (BARNASE), ZINC ION
著者Vaughan, C.K, Harryson, P, Buckle, A.M, Oliveberg, M, Fersht, A.R.
登録日1998-12-03
公開日1998-12-09
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献A structural double-mutant cycle: estimating the strength of a buried salt bridge in barnase.
Acta Crystallogr.,Sect.D, 58, 2002
5C00
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BU of 5c00 by Molmil
MdbA protein, a thiol-disulfide oxidoreductase from Corynebacterium diphtheriae
分子名称: MdbA protein
著者OSIPIUK, J, REARDON-ROBINSON, M.E, TON-THAT, H, JOACHIMIAK, A, Midwest Center for Structural Genomics (MCSG)
登録日2015-06-11
公開日2015-07-15
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献A thiol-disulfide oxidoreductase of the Gram-positive pathogen Corynebacterium diphtheriae is essential for viability, pilus assembly, toxin production and virulence.
Mol.Microbiol., 98, 2015
3QRQ
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BU of 3qrq by Molmil
Structure of Thermus Thermophilus Cse3 bound to an RNA representing a pre-cleavage complex
分子名称: Putative uncharacterized protein TTHB192, RNA (5'-R(*GP*UP*CP*CP*CP*CP*AP*CP*GP*CP*GP*UP*GP*UP*GP*GP*GP*GP*A)-3')
著者Schellenberg, M.J, Gesner, E.G, Garside, E.L, MacMillan, A.M.
登録日2011-02-18
公開日2011-05-25
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (3.194 Å)
主引用文献Recognition and maturation of effector RNAs in a CRISPR interference pathway.
Nat.Struct.Mol.Biol., 18, 2011
1ARM
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BU of 1arm by Molmil
CARBOXYPEPTIDASE A WITH ZN REPLACED BY HG
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, COPPER (II) ION, HG-CARBOXYPEPTIDASE A=ALPHA= (COX), ...
著者Greenblatt, H.M, Feinberg, H, Tucker, P.A, Shoham, G.
登録日1994-11-22
公開日1996-08-17
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Carboxypeptidase A: native, zinc-removed and mercury-replaced forms.
Acta Crystallogr.,Sect.D, 54, 1998
7ZHH
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BU of 7zhh by Molmil
Complex structure of drosophila Unr CSD789 and a poly(A) RNA sequence
分子名称: RNA (5'-R(P*AP*AP*AP*AP*AP*A)-3'), SULFATE ION, Upstream of N-ras, ...
著者Hollmann, N.M, Jagtap, P.K.A, Hennig, J.
登録日2022-04-06
公開日2022-12-07
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Upstream of N-Ras C-terminal cold shock domains mediate poly(A) specificity in a novel RNA recognition mode and bind poly(A) binding protein.
Nucleic Acids Res., 51, 2023
8YVO
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BU of 8yvo by Molmil
Crystal structure of the C. difficile toxin A CROPs domain fragment 2639-2707 bound to C4.2 nanobody
分子名称: 1,2-ETHANEDIOL, C4.2 nanobody, Toxin A
著者Sluchanko, N.N, Varfolomeeva, L.A, Shcheblyakov, D.V, Belyi, Y.F, Logunov, D.Y, Gintsburg, A.L, Popov, V.O, Boyko, K.M.
登録日2024-03-28
公開日2024-12-18
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural insight into recognition of Clostridioides difficile toxin A by novel neutralizing nanobodies targeting QTIN-like motifs within its receptor-binding domain.
Int.J.Biol.Macromol., 283, 2024
2WPX
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BU of 2wpx by Molmil
Tandem GNAT protein from the clavulanic acid biosynthesis pathway (with AcCoA)
分子名称: ACETYL COENZYME *A, GLYCEROL, ORF14
著者Iqbal, A, Arunlanantham, H, McDonough, M.A, Chowdhury, R, Clifton, I.J.
登録日2009-08-11
公開日2009-12-29
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.31 Å)
主引用文献Crystallographic and mass spectrometric analyses of a tandem GNAT protein from the clavulanic acid biosynthesis pathway.
Proteins, 78, 2010
6EQG
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BU of 6eqg by Molmil
Crystal structure of a polyethylene terephthalate degrading hydrolase from Ideonella sakaiensis in spacegroup P21
分子名称: CHLORIDE ION, Poly(ethylene terephthalate) hydrolase, SULFATE ION
著者Austin, H.P, Allen, M.D, Johnson, C.W, Beckham, G.T, McGeehan, J.E.
登録日2017-10-12
公開日2018-04-25
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.799 Å)
主引用文献Characterization and engineering of a plastic-degrading aromatic polyesterase.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
6CC9
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BU of 6cc9 by Molmil
NMR data-driven model of GTPase KRas-GMPPNP:Cmpd2 complex tethered to a nanodisc
分子名称: (2R,4S)-4-[(5-bromo-1H-indole-3-carbonyl)amino]-2-[(4-chlorophenyl)methyl]piperidin-1-ium, 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, Apolipoprotein A-I, ...
著者Fang, Z, Marshall, C.B, Nishikawa, T, Gossert, A.D, Jansen, J.M, Jahnke, W, Ikura, M.
登録日2018-02-06
公開日2018-09-05
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Inhibition of K-RAS4B by a Unique Mechanism of Action: Stabilizing Membrane-Dependent Occlusion of the Effector-Binding Site.
Cell Chem Biol, 25, 2018
1BDD
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BU of 1bdd by Molmil
STAPHYLOCOCCUS AUREUS PROTEIN A, IMMUNOGLOBULIN-BINDING B DOMAIN, NMR, MINIMIZED AVERAGE STRUCTURE
分子名称: STAPHYLOCOCCUS AUREUS PROTEIN A
著者Gouda, H, Torigoe, H, Saito, A, Sato, M, Arata, Y, Shimada, I.
登録日1996-06-28
公開日1997-01-11
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Three-dimensional solution structure of the B domain of staphylococcal protein A: comparisons of the solution and crystal structures.
Biochemistry, 31, 1992
1BH4
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BU of 1bh4 by Molmil
CIRCULIN A FROM CHASSALIA PARVIFLORA, NMR, 12 STRUCTURES
分子名称: CIRCULIN A
著者Daly, N.L, Koltay, A, Craik, D.J.
登録日1998-06-12
公開日1999-06-15
最終更新日2024-10-23
実験手法SOLUTION NMR
主引用文献Solution structure by NMR of circulin A: a macrocyclic knotted peptide having anti-HIV activity.
J.Mol.Biol., 285, 1999
5N1X
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BU of 5n1x by Molmil
Crystal structure of the BCL6 BTB domain in complex with pyrazolo-pyrimidine ligand
分子名称: B-cell lymphoma 6 protein, ~{N}-ethyl-5-pyridin-3-yl-pyrazolo[1,5-a]pyrimidin-7-amine
著者Robb, G, Ferguson, A, Hargreaves, D.
登録日2017-02-06
公開日2017-05-17
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献Discovery of Pyrazolo[1,5-a]pyrimidine B-Cell Lymphoma 6 (BCL6) Binders and Optimization to High Affinity Macrocyclic Inhibitors.
J. Med. Chem., 60, 2017
1BDC
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BU of 1bdc by Molmil
STAPHYLOCOCCUS AUREUS PROTEIN A, IMMUNOGLOBULIN-BINDING B DOMAIN, NMR, 10 STRUCTURES
分子名称: STAPHYLOCOCCUS AUREUS PROTEIN A
著者Gouda, H, Torigoe, H, Saito, A, Sato, M, Arata, Y, Shimada, I.
登録日1996-06-28
公開日1997-01-11
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Three-dimensional solution structure of the B domain of staphylococcal protein A: comparisons of the solution and crystal structures.
Biochemistry, 31, 1992

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