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4RKO
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Crystal structure of thrombin mutant S195T bound with PPACK
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide, ...
著者Pelc, A.L, Chen, Z, Gohara, D.W, Vogt, A.D, Pozzi, N, Di Cera, E.
登録日2014-10-13
公開日2015-03-11
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Why ser and not thr brokers catalysis in the trypsin fold.
Biochemistry, 54, 2015
4JFE
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BU of 4jfe by Molmil
Preservation of peptide specificity during TCR-MHC contact dominated affinity enhancement of a melanoma-specific TCR
分子名称: Beta-2-microglobulin, GLYCEROL, HLA class I histocompatibility antigen, ...
著者Rizkallah, P.J, Cole, D.K, Madura, F, Sewell, A.K.
登録日2013-02-28
公開日2013-05-29
最終更新日2017-11-15
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献T-cell receptor specificity maintained by altered thermodynamics.
J.Biol.Chem., 288, 2013
6UIN
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BU of 6uin by Molmil
Role of Beta-hairpin motifs in the DNA duplex opening by the Rad4/XPC nucleotide excision repair complex
分子名称: DNA (5'-D(*AP*TP*TP*GP*TP*AP*GP*NP*NP*NP*NP*GP*GP*AP*TP*GP*TP*CP*GP*AP*GP*TP*CP*A)-3'), DNA (5'-D(*TP*TP*GP*AP*CP*TP*CP*(G47)P*AP*CP*AP*TP*CP*CP*CP*CP*CP*CP*CP*TP*AP*CP*AP*A)-3'), DNA repair protein RAD4, ...
著者Paul, D, Min, J.-H.
登録日2019-10-01
公開日2020-10-14
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.348 Å)
主引用文献Tethering-facilitated DNA 'opening' and complementary roles of beta-hairpin motifs in the Rad4/XPC DNA damage sensor protein
Nucleic Acids Res., 48, 2021
4S1V
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BU of 4s1v by Molmil
Crystal structure of phosphoglycerate oxidoreductase from Vibrio Cholerae o395
分子名称: D-3-phosphoglycerate dehydrogenase-related protein
著者Tarique, K.F, Rehman, S.A.A, Devi, S, Gourinath, S.
登録日2015-01-15
公開日2015-01-28
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal Structure of Phosphoglycerate Oxidoreductase from Vibrio Cholerae O395
To be Published
6U1Z
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BU of 6u1z by Molmil
Crystal Structure of Ketosteroid Isomerase from Pseudomonas Putida (pKSI) at 280 K
分子名称: CHLORIDE ION, MAGNESIUM ION, Steroid Delta-isomerase
著者Yabukarski, F, Herschlag, D.
登録日2019-08-18
公開日2020-08-19
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.5005 Å)
主引用文献Assessment of enzyme active site positioning and tests of catalytic mechanisms through X-ray-derived conformational ensembles.
Proc.Natl.Acad.Sci.USA, 117, 2020
3BB3
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BU of 3bb3 by Molmil
Crystal structure of Toc33 from Arabidopsis thaliana in complex with GDP and Mg2+
分子名称: GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, T7I23.11 protein
著者Koenig, P, Sinning, I, Schleiff, E, Tews, I.
登録日2007-11-09
公開日2008-04-01
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.94 Å)
主引用文献The GTPase cycle of the chloroplast import receptors Toc33/Toc34: implications from monomeric and dimeric structures.
Structure, 16, 2008
3R68
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BU of 3r68 by Molmil
Molecular Analysis of the PDZ3 domain of PDZK1
分子名称: 1,2-ETHANEDIOL, ACETATE ION, CALCIUM ION, ...
著者Kocher, O, Birrane, G, Krieger, M.
登録日2011-03-21
公開日2011-05-18
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Identification of the PDZ3 Domain of the Adaptor Protein PDZK1 as a Second, Physiologically Functional Binding Site for the C Terminus of the High Density Lipoprotein Receptor Scavenger Receptor Class B Type I.
J.Biol.Chem., 286, 2011
4O5J
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BU of 4o5j by Molmil
Crystal structure of SabA from Helicobacter pylori
分子名称: 1,2-ETHANEDIOL, GLYCEROL, Uncharacterized protein
著者Pang, S.S, Nguyen, S.T.S, Whisstock, J.C.
登録日2013-12-19
公開日2014-01-01
最終更新日2014-03-26
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献The three-dimensional structure of the extracellular adhesion domain of the sialic acid-binding adhesin SabA from Helicobacter pylori
J.Biol.Chem., 289, 2013
4H12
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BU of 4h12 by Molmil
The crystal structure of methyltransferase domain of human SET domain-containing protein 2 in complex with S-adenosyl-L-homocysteine
分子名称: CHLORIDE ION, Histone-lysine N-methyltransferase SETD2, S-ADENOSYL-L-HOMOCYSTEINE, ...
著者Amaya, M.F, Dong, A, Zeng, H, Mackenzie, F, Bunnage, M, Weigelt, J, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Wu, H, Structural Genomics Consortium (SGC)
登録日2012-09-10
公開日2012-10-03
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献Sinefungin Derivatives as Inhibitors and Structure Probes of Protein Lysine Methyltransferase SETD2.
J.Am.Chem.Soc., 134, 2012
6UCH
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BU of 6uch by Molmil
SMARCB1 nucleosome-interacting C-terminal alpha helix
分子名称: SWI/SNF-related matrix-associated actin-dependent regulator of chromatin subfamily B member 1
著者Valencia, A.M, Sun, Z.Y.J, Seo, H.S, Vangos, H.S, Yeoh, Z.C, Mashtalir, N, Dhe-Paganon, S, Kadoch, C.
登録日2019-09-16
公開日2019-11-27
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Recurrent SMARCB1 Mutations Reveal a Nucleosome Acidic Patch Interaction Site That Potentiates mSWI/SNF Complex Chromatin Remodeling.
Cell, 179, 2019
6UF6
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BU of 6uf6 by Molmil
Crystal structure of B. subtilis TagU
分子名称: GLYCEROL, Polyisoprenyl-teichoic acid--peptidoglycan teichoic acid transferase TagU, SULFATE ION
著者Li, F.K.K, Strynadka, N.C.J.
登録日2019-09-23
公開日2020-01-29
最終更新日2020-03-11
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystallographic analysis ofStaphylococcus aureusLcpA, the primary wall teichoic acid ligase.
J.Biol.Chem., 295, 2020
4HDT
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BU of 4hdt by Molmil
Crystal structure of a Carnitinyl-CoA dehydratase from Mycobacterium thermoresistibile
分子名称: 3-hydroxyisobutyryl-CoA hydrolase, ACETATE ION, CHLORIDE ION, ...
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2012-10-02
公開日2012-10-10
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Increasing the structural coverage of tuberculosis drug targets.
Tuberculosis (Edinb), 95, 2015
6SGH
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BU of 6sgh by Molmil
Nek2 kinase covalently bound to 2-arylamino-6-ethynylpurine inhibitor 66
分子名称: 2-[4-[(6-ethenyl-9~{H}-purin-2-yl)amino]phenyl]ethanamide, Serine/threonine-protein kinase Nek2
著者Richards, M.W, Mas-Droux, C.P, Bayliss, R.
登録日2019-08-04
公開日2020-06-17
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献2-Arylamino-6-ethynylpurines are cysteine-targeting irreversible inhibitors of Nek2 kinase.
Rsc Med Chem, 11, 2020
6SNY
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BU of 6sny by Molmil
Synthetic mimic of an EPCR-binding PfEMP1 bound to EPCR
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, Endothelial protein C receptor, ...
著者Barber, N.M, Higgins, M.K.
登録日2019-08-27
公開日2019-09-04
最終更新日2021-01-20
実験手法X-RAY DIFFRACTION (3.11 Å)
主引用文献Structure-Guided Design of a Synthetic Mimic of an Endothelial Protein C Receptor-Binding PfEMP1 Protein.
Msphere, 6, 2021
4K8V
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BU of 4k8v by Molmil
Structure of cyclic GMP-AMP Synthase (cGAS)
分子名称: Cyclic GMP-AMP synthase, ZINC ION
著者Gao, P, Wu, Y, Patel, D.J.
登録日2013-04-18
公開日2013-05-15
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Cyclic [G(2',5')pA(3',5')p] is the metazoan second messenger produced by DNA-activated cyclic GMP-AMP synthase.
Cell(Cambridge,Mass.), 153, 2013
4JZF
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BU of 4jzf by Molmil
Structure of factor VIIA in complex with the inhibitor 2-{2-[(3-carbamoylphenyl)carbamoyl]-6-methoxypyridin-3-yl}-5-{[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]carbamoyl}benzoic acid
分子名称: 2-{2-[(3-carbamoylphenyl)carbamoyl]-6-methoxypyridin-3-yl}-5-{[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]carbamoyl}benzoic acid, CALCIUM ION, Factor VIIa (Heavy Chain), ...
著者Wei, A, Anumula, R.
登録日2013-04-02
公開日2013-08-21
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Discovery of nonbenzamidine factor VIIa inhibitors using a biaryl acid scaffold.
Bioorg.Med.Chem.Lett., 23, 2013
6HRD
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BU of 6hrd by Molmil
Crystal structure of M. tuberculosis FadB2 (Rv0468)
分子名称: 3-hydroxybutyryl-CoA dehydrogenase, GLYCEROL
著者Cox, J.A.G, Besra, G.S, Futterer, K.
登録日2018-09-26
公開日2019-01-23
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.11 Å)
主引用文献Crystal structure of Mycobacterium tuberculosis FadB2 implicated in mycobacterial beta-oxidation.
Acta Crystallogr D Struct Biol, 75, 2019
4JZE
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BU of 4jze by Molmil
Structure of factor VIIA in complex with the inhibitor 2-{2-[(1-aminoisoquinolin-6-yl)carbamoyl]-6-methoxypyridin-3-yl}-5-{[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]carbamoyl}benzoic acid
分子名称: 2-{2-[(1-aminoisoquinolin-6-yl)carbamoyl]-6-methoxypyridin-3-yl}-5-{[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]carbamoyl}benzoic acid, CALCIUM ION, Factor VIIa (Heavy Chain), ...
著者Wei, A, Anumula, R.
登録日2013-04-02
公開日2013-08-21
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.52 Å)
主引用文献Discovery of nonbenzamidine factor VIIa inhibitors using a biaryl acid scaffold.
Bioorg.Med.Chem.Lett., 23, 2013
4JZD
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BU of 4jzd by Molmil
Structure of factor VIIA in complex with the inhibitor 2-{2-[(4-carbamimidoylphenyl)carbamoyl]-6-methoxypyridin-3-yl}-5-{[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]carbamoyl}benzoic acid
分子名称: 2-{2-[(4-carbamimidoylphenyl)carbamoyl]-6-methoxypyridin-3-yl}-5-{[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]carbamoyl}benzoic acid, CALCIUM ION, Factor VIIa (Heavy Chain), ...
著者Jacobson, B.L, Anumula, R.
登録日2013-04-02
公開日2013-08-21
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Discovery of nonbenzamidine factor VIIa inhibitors using a biaryl acid scaffold.
Bioorg.Med.Chem.Lett., 23, 2013
6RRK
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BU of 6rrk by Molmil
Crystal structure of the central region of human cohesin subunit STAG1 in complex with RAD21 peptide
分子名称: Cohesin subunit SA-1, Double-strand-break repair protein rad21 homolog
著者Newman, J.A, katis, V.L, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O.
登録日2019-05-20
公開日2019-06-26
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (3.17 Å)
主引用文献STAG1 vulnerabilities for exploiting cohesin synthetic lethality in STAG2-deficient cancers.
Life Sci Alliance, 3, 2020
6RXD
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BU of 6rxd by Molmil
Crystal Structure of Bifidobacterium longum Multiple Inositol Polyphosphate Phosphatase Apo Form
分子名称: Histidine acid phosphatase, ZINC ION
著者Li, A.W.H, Brearley, C.A, Hemmings, A.M.
登録日2019-06-07
公開日2020-07-08
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Snapshots during the catalytic cycle of a histidine acid phytase reveal an induced-fit structural mechanism.
J.Biol.Chem., 295, 2020
4TUM
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BU of 4tum by Molmil
Crystal structure of Ankyrin Repeat Domain of AKR2
分子名称: Ankyrin repeat domain-containing protein 2
著者Gwon, G.H, Cho, Y.
登録日2014-06-24
公開日2014-09-24
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献An Ankyrin Repeat Domain of AKR2 Drives Chloroplast Targeting through Coincident Binding of Two Chloroplast Lipids.
Dev.Cell, 30, 2014
6RXE
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BU of 6rxe by Molmil
Crystal Structure of Bifidobacterium longum Multiple Inositol Polyphosphate Phosphatase Complex with Inositol Hexasulfate
分子名称: D-MYO-INOSITOL-HEXASULPHATE, Histidine acid phosphatase, PHOSPHATE ION
著者Acquistapace, I.M, Brearley, C.A, Hemmings, A.M.
登録日2019-06-07
公開日2020-07-08
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Snapshots during the catalytic cycle of a histidine acid phytase reveal an induced-fit structural mechanism.
J.Biol.Chem., 295, 2020
6I0O
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BU of 6i0o by Molmil
Structure of human IMP dehydrogenase, isoform 2, bound to GTP
分子名称: GUANOSINE-5'-TRIPHOSPHATE, Inosine-5'-monophosphate dehydrogenase 2, SULFATE ION
著者Buey, R.M, Fernandez-Justel, D, Revuelta, J.L.
登録日2018-10-26
公開日2019-01-30
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.623 Å)
主引用文献A Nucleotide-Dependent Conformational Switch Controls the Polymerization of Human IMP Dehydrogenases to Modulate their Catalytic Activity.
J. Mol. Biol., 431, 2019
4KK3
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BU of 4kk3 by Molmil
YwlE arginine phosphatase - wildtype
分子名称: Low molecular weight protein-tyrosine-phosphatase YwlE, PHOSPHATE ION
著者Fuhrmann, J, Clausen, T.
登録日2013-05-05
公開日2013-07-03
最終更新日2013-07-17
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural basis for recognizing phosphoarginine and evolving residue-specific protein phosphatases in gram-positive bacteria.
Cell Rep, 3, 2013

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