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5V3S
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Crystal structure of IP-1A from Alcaligenes faecalis at 1.8A resolution
分子名称: Two-component insecticidal protein 16 kDa unit
著者Yalpani, N, Altier, D, Guan, R, Montelione, G.
登録日2017-03-08
公開日2017-06-14
最終更新日2017-06-21
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献An Alcaligenes strain emulates Bacillus thuringiensis producing a binary protein that kills corn rootworm through a mechanism similar to Cry34Ab1/Cry35Ab1.
Sci Rep, 7, 2017
6KXI
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BU of 6kxi by Molmil
Crystal Structure Of NDM-1 Metallo-beta-lactamase In Complex With Inhibitor NO9
分子名称: 2,5-dimethyl-4-sulfamoyl-furan-3-carboxylic acid, Beta-lactamase, SULFATE ION, ...
著者Wachino, J.
登録日2019-09-11
公開日2020-02-19
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.38 Å)
主引用文献Sulfamoyl Heteroarylcarboxylic Acids as Promising Metallo-beta-Lactamase Inhibitors for Controlling Bacterial Carbapenem Resistance.
Mbio, 11, 2020
6LBL
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Crystal structure of IMP-1 metallo-beta-lactamase in complex with NO9 inhibitor
分子名称: 2,5-dimethyl-4-sulfamoyl-furan-3-carboxylic acid, Metallo-beta-lactamase type 2, SODIUM ION, ...
著者Wachino, J.
登録日2019-11-14
公開日2020-02-19
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献Sulfamoyl Heteroarylcarboxylic Acids as Promising Metallo-beta-Lactamase Inhibitors for Controlling Bacterial Carbapenem Resistance.
Mbio, 11, 2020
5F9O
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Crystal structure of broadly neutralizing VH1-46 germline-derived CD4-binding site-directed antibody CH235.09 in complex with HIV-1 clade A/E 93TH057 gp120
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CH235.09 Light chain, ...
著者Joyce, M.G, Mascola, J.R, Kwong, P.D.
登録日2015-12-10
公開日2016-03-16
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Maturation Pathway from Germline to Broad HIV-1 Neutralizer of a CD4-Mimic Antibody.
Cell, 165, 2016
3G0I
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BU of 3g0i by Molmil
Complex of Aspergillus niger epoxide hydrolase with valpromide (2-propylpentanamide)
分子名称: 2-PROPYLPENTANAMIDE, Epoxide hydrolase
著者Zou, J, Mowbray, S.L.
登録日2009-01-28
公開日2009-06-09
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Directed evolution of an enantioselective epoxide hydrolase: uncovering the source of enantioselectivity at each evolutionary stage
J.Am.Chem.Soc., 131, 2009
5FA0
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BU of 5fa0 by Molmil
The structure of the beta-3-deoxy-D-manno-oct-2-ulosonic acid transferase domain from WbbB
分子名称: CHLORIDE ION, Putative N-acetyl glucosaminyl transferase
著者Mallette, E, Ovchinnikova, O.G, Whitfield, C, Kimber, M.S.
登録日2015-12-10
公開日2016-05-18
最終更新日2018-04-25
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Bacterial beta-Kdo glycosyltransferases represent a new glycosyltransferase family (GT99).
Proc. Natl. Acad. Sci. U.S.A., 113, 2016
1D2D
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BU of 1d2d by Molmil
Hamster EprS second repeated element. NMR, 5 structures
分子名称: TRNA SYNTHETASE
著者Cahuzac, B, Berthonneau, E, Birlirakis, N, Guittet, E, Mirande, M.
登録日1999-09-23
公開日2000-05-24
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献A recurrent RNA-binding domain is appended to eukaryotic aminoacyl-tRNA synthetases.
EMBO J., 19, 2000
4YDN
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BU of 4ydn by Molmil
High resolution crystal structure of human transthyretin bound to ligand and conjugates of 4-(5-(3,5-dichloro-4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl)phenyl fluorosulfate
分子名称: 2,6-dichloro-4-[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]phenol, 4-[5-(3,5-dichloro-4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl sulfurofluoridate, Transthyretin
著者Connelly, S, Bradbury, N.C.
登録日2015-02-22
公開日2015-07-15
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献A Fluorogenic Aryl Fluorosulfate for Intraorganellar Transthyretin Imaging in Living Cells and in Caenorhabditis elegans.
J.Am.Chem.Soc., 137, 2015
3M1L
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BU of 3m1l by Molmil
Crystal structure of a C-terminal trunacted mutant of a putative ketoacyl reductase (FabG4) from Mycobacterium tuberculosis H37Rv at 2.5 Angstrom resolution
分子名称: 3-oxoacyl-(Acyl-carrier-protein) reductase, ACETATE ION
著者Dutta, D, Bhattacharyya, S, Saha, B, Das, A.K.
登録日2010-03-05
公開日2010-12-22
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.52 Å)
主引用文献Crystal structure of FabG4 from Mycobacterium tuberculosis reveals the importance of C-terminal residues in ketoreductase activity
J.Struct.Biol., 174, 2011
4Y7F
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Crystal structure of glucosyl-3-phosphoglycerate synthase from Mycobacterium tuberculosis in complex with Mn2+, uridine-diphosphate-glucose (UDP-Glc) and 3-(phosphonooxy)propanoic acid (PPA) - GpgS Mn2+ UDP-Glc PPA
分子名称: 1,2-ETHANEDIOL, 3-(phosphonooxy)propanoic acid, Glucosyl-3-phosphoglycerate synthase, ...
著者Albesa-Jove, D, Rodrigo-Unzueta, A, Cifuente, J.O, Urresti, S, Comino, N, Sancho-Vaello, E, Guerin, M.E.
登録日2015-02-14
公開日2015-07-15
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3.231 Å)
主引用文献A Native Ternary Complex Trapped in a Crystal Reveals the Catalytic Mechanism of a Retaining Glycosyltransferase.
Angew.Chem.Int.Ed.Engl., 54, 2015
4Y7G
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BU of 4y7g by Molmil
Crystal structure of glucosyl-3-phosphoglycerate synthase from Mycobacterium tuberculosis in complex with Mn2+, uridine-diphosphate-glucose (UDP-Glc) and glycerol 3-phosphate (G3P) - GpgS Mn2+ UDP-Glc G3P
分子名称: Glucosyl-3-phosphoglycerate synthase, MANGANESE (II) ION, SN-GLYCEROL-3-PHOSPHATE, ...
著者Albesa-Jove, D, Rodrigo-Unzueta, A, Cifuente, J.O, Urresti, S, Comino, N, Sancho-Vaello, E, Guerin, M.E.
登録日2015-02-14
公開日2015-07-15
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.59 Å)
主引用文献A Native Ternary Complex Trapped in a Crystal Reveals the Catalytic Mechanism of a Retaining Glycosyltransferase.
Angew.Chem.Int.Ed.Engl., 54, 2015
5F9W
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BU of 5f9w by Molmil
Crystal structure of broadly neutralizing VH1-46 germline-derived CD4-binding site-directed antibody CH235 in complex with HIV-1 clade A/E 93TH057 gp120
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of CH235-lineage antibody CH235, Light chain of CH235-lineage antibody CH235, ...
著者Chen, L, Zhou, T, Kwong, P.D.
登録日2015-12-10
公開日2016-03-09
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.8911 Å)
主引用文献Maturation Pathway from Germline to Broad HIV-1 Neutralizer of a CD4-Mimic Antibody.
Cell, 165, 2016
4YDE
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BU of 4yde by Molmil
CRYSTAL STRUCTURE OF CANDIDA ALBICANS PROTEIN FARNESYLTRANSFERASE BINARY COMPLEX WITH THE ISOPRENOID FARNESYLDIPHOSPHATE
分子名称: (3R,7S)-3,7,11-trimethyldodecyl trihydrogen diphosphate, 1,2-ETHANEDIOL, Protein farnesyltransferase/geranylgeranyltransferase type-1 Subunit beta, ...
著者Kumar, S, Mabanglo, M.F, Hast, M.A, Shi, Y, Beese, L.S.
登録日2015-02-22
公開日2016-07-06
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.701 Å)
主引用文献CRYSTAL STRUCTURE OF CANDIDA ALBICANS PROTEIN FARNESYLTRANSFERASE BINARY COMPLEX WITH THE ISOPRENOID FARNESYLDIPHOSPHATE
To Be Published
3M7R
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BU of 3m7r by Molmil
Crystal structure of VDR H305Q mutant
分子名称: 5-{2-[1-(5-HYDROXY-1,5-DIMETHYL-HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-CYCLOHEXANE-1,3-DIOL, Vitamin D3 receptor
著者Rochel, N, Hourai, S, Moras, D, Structural Proteomics in Europe (SPINE)
登録日2010-03-17
公開日2010-05-05
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structure of hereditary vitamin D-resistant rickets--associated mutant H305Q of vitamin D nuclear receptor bound to its natural ligand
J.Steroid Biochem.Mol.Biol., 121, 2010
4YNE
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BU of 4yne by Molmil
(R)-2-Phenylpyrrolidine Substitute Imidazopyridazines: a New Class of Potent and Selective Pan-TRK Inhibitors
分子名称: 6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-(pyridin-2-yl)imidazo[1,2-b]pyridazine, GLYCEROL, High affinity nerve growth factor receptor, ...
著者Kreusch, A, Rucker, P, Molteni, V, Loren, J.
登録日2015-03-09
公開日2015-06-03
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.0229 Å)
主引用文献(R)-2-Phenylpyrrolidine Substituted Imidazopyridazines: A New Class of Potent and Selective Pan-TRK Inhibitors.
Acs Med.Chem.Lett., 6, 2015
4Y9X
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BU of 4y9x by Molmil
Crystal structure of glucosyl-3-phosphoglycerate synthase from Mycobacterium tuberculosis in complex with Mn2+, uridine-diphosphate-glucose (UDP-Glc) and phosphoglyceric acid (PGA) - GpgS Mn2+ UDP-Glc PGA-3
分子名称: 1,2-ETHANEDIOL, 3-PHOSPHOGLYCERIC ACID, CHLORIDE ION, ...
著者Albesa-Jove, D, Rodrigo-Unzueta, A, Cifuente, J.O, Urresti, S, Comino, N, Sancho-Vaello, E, Guerin, M.E.
登録日2015-02-17
公開日2015-07-15
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.637 Å)
主引用文献A Native Ternary Complex Trapped in a Crystal Reveals the Catalytic Mechanism of a Retaining Glycosyltransferase.
Angew.Chem.Int.Ed.Engl., 54, 2015
5I4O
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BU of 5i4o by Molmil
Crystal structure of the catalytic domain of MMP-12 in complex with a selective sugar-conjugated triazole-linked carboxylate zinc-chelator water-soluble inhibitor (DC28).
分子名称: CALCIUM ION, Macrophage metalloelastase, N-({1-[2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl]-1H-1,2,3-triazol-4-yl}methyl)-N-[([1,1'-biphenyl]-4-yl)sulfonyl]-D-valine, ...
著者Stura, E.A, Rosalia, L, Cuffaro, D, Tepshi, L, Ciccone, L, Rossello, A.
登録日2016-02-12
公開日2016-07-06
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Sugar-Based Arylsulfonamide Carboxylates as Selective and Water-Soluble Matrix Metalloproteinase-12 Inhibitors.
Chemmedchem, 11, 2016
6LBB
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BU of 6lbb by Molmil
Crystal structure of barley exohydrolaseI W434A mutant in complex with 4I,4III,4V-S-trithiocellohexaose
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, Beta-D-glucan exohydrolase isoenzyme ExoI, ...
著者Luang, S, Streltsov, V.A, Hrmova, M.
登録日2019-11-14
公開日2020-09-30
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献The evolutionary advantage of an aromatic clamp in plant family 3 glycoside exo-hydrolases.
Nat Commun, 13, 2022
6LBV
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Crystal structure of barley exohydrolaseI W434F mutant in complex with methyl 6-thio-beta-gentiobioside
分子名称: ACETATE ION, Beta-D-glucan exohydrolase isoenzyme ExoI, GLYCEROL, ...
著者Luang, S, Streltsov, V.A, Hrmova, M.
登録日2019-11-15
公開日2020-09-30
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献The evolutionary advantage of an aromatic clamp in plant family 3 glycoside exo-hydrolases.
Nat Commun, 13, 2022
4Z08
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BU of 4z08 by Molmil
Directed evolutionary changes in Kemp Eliminase KE07 - Crystal 1 KE07 design
分子名称: de novo designed kemp eliminase KE07
著者Jackson, C.J, Hong, N.-S, Carr, P.D.
登録日2015-03-25
公開日2016-04-13
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Directed evolutionary changes in Kemp Eliminase KE07 - Crystal 1 KE07 design
To Be Published
6RSJ
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Cytochrome c co-crystallized with 20 eq. sulfonato-calix[8]arene and soaked with 25 eq. spermine - structure I
分子名称: Cytochrome c iso-1, GLYCEROL, HEME C, ...
著者Engilberge, S, Crowley, P.B.
登録日2019-05-21
公開日2019-09-18
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.27 Å)
主引用文献Tuning Protein Frameworks via Auxiliary Supramolecular Interactions.
Acs Nano, 13, 2019
5WDQ
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BU of 5wdq by Molmil
H-Ras mutant L120A bound to GMP-PNP at 100K
分子名称: ACETATE ION, CALCIUM ION, GTPase HRas, ...
著者Bandaru, P, Gee, C.L, Kuriyan, J.
登録日2017-07-05
公開日2017-07-19
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Deconstruction of the Ras switching cycle through saturation mutagenesis.
Elife, 6, 2017
5FWU
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BU of 5fwu by Molmil
Wnt modulator Kremen crystal form II at 2.8A
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, KREMEN PROTEIN 1
著者Zebisch, M, Jackson, V.A, Jones, E.Y.
登録日2016-02-21
公開日2016-07-20
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structure of the Dual-Mode Wnt Regulator Kremen1 and Insight Into Ternary Complex Formation with Lrp6 and Dickkopf
Structure, 24, 2016
1RZW
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BU of 1rzw by Molmil
The Solution Structure of the Archaeglobus fulgidis protein AF2095. Northeast Structural Genomics Consortium target GR4
分子名称: Protein AF2095(GR4)
著者Powers, R, Acton, T.B, Huang, Y.J, Liu, J, Ma, L, Rost, B, Chiang, Y, Cort, J.R, Kennedy, M.A, Montelione, G.T, Northeast Structural Genomics Consortium (NESG)
登録日2003-12-29
公開日2004-11-16
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Solution structure of Archaeglobus fulgidis peptidyl-tRNA hydrolase (Pth2) provides evidence for an extensive conserved family of Pth2 enzymes in archea, bacteria, and eukaryotes
Protein Sci., 14, 2005
5HFY
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BU of 5hfy by Molmil
Backbone Modifications in the Protein GB1 Helix: beta-2-Ala24, beta-3-Lys28, beta-3-Lys31, beta-3-Asn35
分子名称: Immunoglobulin G-binding protein G
著者Tavenor, N.A, Reinert, Z.E, Lengyel, G.A, Griffith, B.D, Horne, W.S.
登録日2016-01-07
公開日2016-02-24
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Comparison of design strategies for alpha-helix backbone modification in a protein tertiary fold.
Chem.Commun.(Camb.), 52, 2016

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