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4LHH
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Endothiapepsin in complex with 2mM acylhydrazone inhibitor
分子名称: (2S)-2-azanyl-3-(3H-indol-3-yl)-N-[(E)-(2,4,6-trimethylphenyl)methylideneamino]propanamide, ACETATE ION, DIMETHYL SULFOXIDE, ...
著者Radeva, N, Heine, A, Klebe, G.
登録日2013-07-01
公開日2014-04-02
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献Structure-based design of inhibitors of the aspartic protease endothiapepsin by exploiting dynamic combinatorial chemistry.
Angew.Chem.Int.Ed.Engl., 53, 2014
6PKY
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BU of 6pky by Molmil
Guinea pig N-acetylglucosamine-1-phosphodiester alpha-N-acetylglucosaminidase (NAGPA) catalytic domain auto-inhibited by pro-peptide
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, BROMIDE ION, ...
著者Gorelik, A, Illes, K, Nagar, B.
登録日2019-06-30
公開日2020-02-19
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Crystal Structure of the Mannose-6-Phosphate Uncovering Enzyme.
Structure, 28, 2020
4LNP
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The first SH3 domain from CAP/Ponsin in complex with proline rich peptide from Vinculin
分子名称: Sorbin and SH3 domain-containing protein 1, Vinculin
著者Zhao, D, Li, F, Wu, J, Shi, Y, Zhang, Z, Gong, Q.
登録日2013-07-11
公開日2014-05-28
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.41 Å)
主引用文献Structural investigation of the interaction between the tandem SH3 domains of c-Cbl-associated protein and vinculin
J.Struct.Biol., 187, 2014
6PKG
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Zebrafish N-acetylglucosamine-1-phosphodiester alpha-N-acetylglucosaminidase (NAGPA) catalytic domain auto-inhibited by pro-peptide
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, HEXAETHYLENE GLYCOL, IODIDE ION, ...
著者Gorelik, A, Illes, K, Nagar, B.
登録日2019-06-29
公開日2020-02-19
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Crystal Structure of the Mannose-6-Phosphate Uncovering Enzyme.
Structure, 28, 2020
4LFQ
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BU of 4lfq by Molmil
High resolution x-ray crystal structure of L-ShK toxin
分子名称: Potassium channel toxin ShK
著者Dang, B, Kubota, T, Mandal, K, Bezanilla, F, Kent, S.B.H.
登録日2013-06-27
公開日2013-08-14
最終更新日2023-08-02
実験手法X-RAY DIFFRACTION (1.059 Å)
主引用文献Native Chemical Ligation at Asx-Cys, Glx-Cys: Chemical Synthesis and High-Resolution X-ray Structure of ShK Toxin by Racemic Protein Crystallography.
J.Am.Chem.Soc., 135, 2013
4LFS
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BU of 4lfs by Molmil
High resolution x-ray structure of racemic ShK toxin
分子名称: CHLORIDE ION, GLYCEROL, Potassium channel toxin ShK
著者Dang, B, Kubota, T, Mandal, K, Bezanilla, F, Kent, S.B.H.
登録日2013-06-27
公開日2013-08-14
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (0.97 Å)
主引用文献Native Chemical Ligation at Asx-Cys, Glx-Cys: Chemical Synthesis and High-Resolution X-ray Structure of ShK Toxin by Racemic Protein Crystallography.
J.Am.Chem.Soc., 135, 2013
4LG0
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BU of 4lg0 by Molmil
Structure of a ternary FOXO1-ETS1 DNA complex
分子名称: CALCIUM ION, DNA (5'-D(*DAP*DAP*DAP*DCP*DAP*DAP*DTP*DAP*DAP*DCP*DAP*DGP*DGP*DAP*DAP*DAP*DCP*DCP*DGP*DTP*DG)-3'), DNA (5'-D(*DTP*DTP*DCP*DAP*DCP*DGP*DGP*DTP*DTP*DTP*DCP*DCP*DTP*DGP*DTP*DTP*DAP*DTP*DTP*DGP*DT)-3'), ...
著者Birrane, G, Choy, W.C, Datta, D, Geiger, C.A, Grant, M.A.
登録日2013-06-27
公開日2014-07-02
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.19 Å)
主引用文献Structure of a ternary FOXO1-ETS1 DNA complex
To be Published
4LN2
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BU of 4ln2 by Molmil
The second SH3 domain from CAP/Ponsin in complex with proline rich peptide from Vinculin
分子名称: Sorbin and SH3 domain-containing protein 1, proline rich peptide
著者Zhao, D, Li, F, Wu, J, Shi, Y, Zhang, Z, Gong, Q.
登録日2013-07-11
公開日2014-05-28
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1 Å)
主引用文献Structural investigation of the interaction between the tandem SH3 domains of c-Cbl-associated protein and vinculin
J.Struct.Biol., 187, 2014
6PDZ
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BU of 6pdz by Molmil
Crystal structure of PPARgamma ligand binding domain in complex with SMRT peptide and inverse agonist T0070907
分子名称: 2-chloro-5-nitro-N-(pyridin-4-yl)benzamide, Nuclear receptor corepressor 2, Peroxisome proliferator-activated receptor gamma
著者Shang, J, Kojetin, D.J.
登録日2019-06-19
公開日2020-03-04
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献A molecular switch regulating transcriptional repression and activation of PPAR gamma.
Nat Commun, 11, 2020
6PKH
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BU of 6pkh by Molmil
Zebrafish N-acetylglucosamine-1-phosphodiester alpha-N-acetylglucosaminidase (NAGPA) catalytic domain auto-inhibited by pro-peptide
分子名称: N-acetylglucosamine-1-phosphodiester alpha-N-acetylglucosaminidase, alpha-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose
著者Gorelik, A, Illes, K, Nagar, B.
登録日2019-06-29
公開日2020-02-19
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Crystal Structure of the Mannose-6-Phosphate Uncovering Enzyme.
Structure, 28, 2020
4L0A
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BU of 4l0a by Molmil
X-ray structure of an all LNA quadruplex
分子名称: DNA/RNA (5'-R(*(TLN)P*(LCG)P*(LCG)P*(LCG)P*(TLN))-3'), GLYCEROL, POTASSIUM ION
著者Russo Krauss, I, Parkinson, G, Merlino, A, Mazzarella, L, Sica, F.
登録日2013-05-31
公開日2014-03-05
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献A regular thymine tetrad and a peculiar supramolecular assembly in the first crystal structure of an all-LNA G-quadruplex.
Acta Crystallogr.,Sect.D, 70, 2014
4L68
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BU of 4l68 by Molmil
Structure of the psedudokinase domain of BIR2, an immune regulator of the RLK/Pelle family
分子名称: 1,3-PROPANDIOL, Leucine-rich repeat protein kinase-like protein
著者Blaum, B.S, Stehle, T.
登録日2013-06-12
公開日2014-03-05
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure of the pseudokinase domain of BIR2, a regulator of BAK1-mediated immune signaling in Arabidopsis.
J.Struct.Biol., 186, 2014
4NFG
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BU of 4nfg by Molmil
K13R mutant of horse cytochrome c and yeast cytochrome c peroxidase complex
分子名称: Cytochrome c, Cytochrome c peroxidase, mitochondrial, ...
著者Meulenbroek, E.M, Bashir, Q, Ubbink, M, Pannu, N.S.
登録日2013-10-31
公開日2014-09-24
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.11 Å)
主引用文献Engineering specificity in a dynamic protein complex with a single conserved mutation.
Febs J., 281, 2014
4NCW
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BU of 4ncw by Molmil
foldon domain wild type C-conjugate
分子名称: Fibritin, N,N',N''-triethylbenzene-1,3,5-tricarboxamide
著者Graewert, M.A, Berthelmann, A, Lach, J, Groll, M, Eichler, J.
登録日2013-10-25
公開日2014-03-12
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Versatile C(3)-symmetric scaffolds and their use for covalent stabilization of the foldon trimer.
Org.Biomol.Chem., 12, 2014
4NDD
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BU of 4ndd by Molmil
X-ray structure of a double mutant of calexcitin - a neuronal calcium-signalling protein
分子名称: CALCIUM ION, Calexcitin
著者Erskine, P.T, Fokas, A, Muriithi, C, Razzall, E, Bowyer, A, Findlow, I.S, Werner, J.M, Wallace, B.A, Wood, S.P, Cooper, J.B.
登録日2013-10-25
公開日2014-10-29
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献X-ray, spectroscopic and normal-mode dynamics of calexcitin: structure-function studies of a neuronal calcium-signalling protein.
Acta Crystallogr.,Sect.D, 71, 2015
6PKI
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BU of 6pki by Molmil
Zebrafish N-acetylglucosamine-1-phosphodiester alpha-N-acetylglucosaminidase (NAGPA) catalytic domain (C56S C230S) in complex with N-acetyl-alpha-D-glucosamine (alpha-GlcNAc) and mannose 6-phosphate (M6P)
分子名称: 2-acetamido-2-deoxy-alpha-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, 6-O-phosphono-alpha-D-mannopyranose, ...
著者Gorelik, A, Illes, K, Nagar, B.
登録日2019-06-29
公開日2020-02-19
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.293 Å)
主引用文献Crystal Structure of the Mannose-6-Phosphate Uncovering Enzyme.
Structure, 28, 2020
4NRG
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BU of 4nrg by Molmil
Crystal Structure of a human Mms2/Ubc13 D118G mutant
分子名称: Ubiquitin-conjugating enzyme E2 N, Ubiquitin-conjugating enzyme E2 variant 2
著者Hodge, C.D, Edwards, R.A, Glover, J.N.M.
登録日2013-11-26
公開日2014-12-10
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Stochastic gate dynamics regulate the catalytic activity of ubiquitination enzymes.
J.Am.Chem.Soc., 136, 2014
4O1G
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BU of 4o1g by Molmil
MTB adenosine kinase in complex with gamma-Thio-ATP
分子名称: Adenosine kinase, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, SODIUM ION
著者Dostal, J, Brynda, J, Hocek, M, Pichova, I.
登録日2013-12-15
公開日2014-11-26
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structural Basis for Inhibition of Mycobacterial and Human Adenosine Kinase by 7-Substituted 7-(Het)aryl-7-deazaadenine Ribonucleosides
J.Med.Chem., 57, 2014
4L5M
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BU of 4l5m by Molmil
Complexe of ARNO Sec7 domain with the protein-protein interaction inhibitor N-(4-hydroxy-2,6-dimethylphenyl)benzenesulfonamide at pH6.5
分子名称: Cytohesin-2, N-(4-hydroxy-2,6-dimethylphenyl)benzenesulfonamide, PHOSPHATE ION
著者Hoh, F, Rouhana, J.
登録日2013-06-11
公開日2013-10-30
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Fragment-based identification of a locus in the Sec7 domain of Arno for the design of protein-protein interaction inhibitors.
J.Med.Chem., 56, 2013
5K2X
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BU of 5k2x by Molmil
Crystal structure of M. tuberculosis UspC (tetragonal crystal form)
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, IODIDE ION, ...
著者Futterer, K, Fullam, E, Besra, G.S.
登録日2016-05-19
公開日2016-06-01
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structural and functional analysis of the solute-binding protein UspC from Mycobacterium tuberculosis that is specific for amino sugars.
Open Biology, 6, 2016
6PKU
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BU of 6pku by Molmil
Guinea pig N-acetylglucosamine-1-phosphodiester alpha-N-acetylglucosaminidase (NAGPA) catalytic domain (C51S C221S) in complex with N-acetyl-alpha-D-glucosamine (alpha-GlcNAc) and mannose 6-phosphate (M6P)
分子名称: 2-acetamido-2-deoxy-alpha-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, 6-O-phosphono-alpha-D-mannopyranose, ...
著者Gorelik, A, Illes, K, Nagar, B.
登録日2019-06-29
公開日2020-02-19
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.949 Å)
主引用文献Crystal Structure of the Mannose-6-Phosphate Uncovering Enzyme.
Structure, 28, 2020
6PW7
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BU of 6pw7 by Molmil
X-ray crystal structure of C. elegans STIM EF-SAM domain
分子名称: CALCIUM ION, Stromal interaction molecule 1
著者Enomoto, M, Nishikawa, T, Back, S.I, Ishiyama, N, Zheng, L, Stathopulos, P.B, Ikura, M.
登録日2019-07-22
公開日2019-11-13
最終更新日2020-02-12
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Coordination of a Single Calcium Ion in the EF-hand Maintains the Off State of the Stromal Interaction Molecule Luminal Domain.
J.Mol.Biol., 432, 2020
5K2Y
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BU of 5k2y by Molmil
Crystal structure of M. tuberculosis UspC (monoclinic crystal form)
分子名称: Probable periplasmic sugar-binding lipoprotein UspC
著者Futterer, K, Fullam, E, Besra, G.S.
登録日2016-05-19
公開日2016-06-01
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.41 Å)
主引用文献Structural and functional analysis of the solute-binding protein UspC from Mycobacterium tuberculosis that is specific for amino sugars.
Open Biology, 6, 2016
6PTY
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BU of 6pty by Molmil
Soluble model of human CuA (Tt3Lh)
分子名称: Cytochrome c oxidase subunit 2, DINUCLEAR COPPER ION, GLYCEROL, ...
著者Giannini, E, Lisa, M.N, Morgada, M.N, Alzari, P.M, Vila, A.J.
登録日2019-07-16
公開日2019-11-20
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Unexpected electron spin density on the axial methionine ligand in CuAsuggests its involvement in electron pathways.
Chem.Commun.(Camb.), 56, 2020
4NUU
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BU of 4nuu by Molmil
Heterotrimer structure of Region II from Plasmodium vivax Duffy Binding Protein (PvDBP) bound to the ectodomain of the Duffy Antigen Receptor for Chemokines (DARC)
分子名称: Duffy antigen/chemokine receptor, Duffy receptor
著者Tolia, N.H.
登録日2013-12-04
公開日2014-02-05
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Red Blood Cell Invasion by Plasmodium vivax: Structural Basis for DBP Engagement of DARC.
Plos Pathog., 10, 2014

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