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3CPT
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BU of 3cpt by Molmil
MP1-p14 Scaffolding complex
分子名称: Mitogen-activated protein kinase kinase 1-interacting protein 1, Mitogen-activated protein-binding protein-interacting protein
著者Schrag, J.D, Cygler, M, Munger, C, Magloire, A.
登録日2008-04-01
公開日2008-07-01
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Molecular dynamics-solvated interaction energy studies of protein-protein interactions: the MP1-p14 scaffolding complex.
J.Mol.Biol., 379, 2008
4V2F
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BU of 4v2f by Molmil
Tetracycline repressor TetR(D), unliganded
分子名称: TETRACYCLINE REPRESSOR PROTEIN CLASS D
著者Werten, S, Orth, P, Saenger, W, Hinrichs, W.
登録日2014-10-09
公開日2014-12-10
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Tetracycline Repressor Allostery Does not Depend on Divalent Metal Recognition.
Biochemistry, 53, 2014
4V2W
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BU of 4v2w by Molmil
JMJD2A COMPLEXED WITH NI(II), NOG AND HISTONE H3K27me3 PEPTIDE (16-35)
分子名称: CHLORIDE ION, GLYCEROL, HISTONE H3.1T, ...
著者Chowdhury, R, Zafred, D, Schofield, C.J.
登録日2014-10-15
公開日2014-11-26
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献Studies on the Catalytic Domains of Multiple Jmjc Oxygenases Using Peptide Substrates.
Epigenetics, 9, 2014
4V2G
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BU of 4v2g by Molmil
Tetracycline repressor TetR(D) bound to chlortetracycline and iso- chlortetracycline
分子名称: 7-CHLOROTETRACYCLINE, ISO-7-CHLORTETRACYCLINE, MAGNESIUM ION, ...
著者Werten, S, Orth, P, Saenger, W, Hinrichs, W.
登録日2014-10-09
公開日2014-12-10
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.71 Å)
主引用文献Tetracycline Repressor Allostery Does not Depend on Divalent Metal Recognition.
Biochemistry, 53, 2014
4LUZ
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BU of 4luz by Molmil
Fragment-Based Discovery of a Potent Inhibitor of Replication Protein A Protein-Protein Interactions
分子名称: 5-(4-{[4-(5-carboxyfuran-2-yl)benzyl]oxy}phenyl)-1-(3-methylphenyl)-1H-pyrazole-3-carboxylic acid, Replication protein A 70 kDa DNA-binding subunit
著者Feldkamp, M.D, Frank, A.O, Kennedy, J.P, Waterson, A.G, Olejnczak, E.O, Pelz, N.F, Patrone, J.D, Vangamudi, B, Camper, D.V, Rossanese, O.W, Fesik, S.W, Chazin, W.J.
登録日2013-07-25
公開日2013-12-11
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Discovery of a potent inhibitor of replication protein a protein-protein interactions using a fragment-linking approach.
J.Med.Chem., 56, 2013
4UUQ
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BU of 4uuq by Molmil
Crystal structure of human mono-glyceride lipase in complex with SAR127303
分子名称: 4-({[(4-chlorophenyl)sulfonyl]amino}methyl)piperidine-1-carboxylic acid, MONOGLYCERIDE LIPASE
著者Griebel, G, Pichat, P, Beeske, S, Leroy, T, Redon, N, Francon, D, Bert, L, Even, L, Lopez-Grancha, M, Tolstykh, T, Sun, F, Yu, Q, Brittain, S, Arlt, H, He, T, Zhang, B, Wiederschain, D, Bertrand, T, Houtman, J, Rak, A, Vallee, F, Michot, N, Auge, F, Menet, V, Bergis, O.E, George, P, Avenet, P, Mikol, V, Didier, M, Escoubet, J.
登録日2014-07-30
公開日2015-01-21
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.36 Å)
主引用文献Selective Blockade of the Hydrolysis of the Endocannabinoid 2-Arachidonoylglycerol Impairs Learning and Memory Performance While Producing Antinociceptive Activity in Rodents.
Sci.Rep., 5, 2015
3CWY
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BU of 3cwy by Molmil
Structure of CagD from H. pylori pathogenicity island crystallized in the presence of Cu(II) ions
分子名称: COPPER (II) ION, protein CagD
著者Cendron, L, Zanotti, G, Angelini, A, Barison, N, Couturier, M, Stein, M.
登録日2008-04-23
公開日2008-12-30
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献The Helicobacter pylori CagD (HP0545, Cag24) protein is essential for CagA translocation and maximal induction of interleukin-8 secretion.
J.Mol.Biol., 386, 2009
5I2F
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BU of 5i2f by Molmil
Human Histidine Triad Nucleotide Binding Protein 1 (hHint1) with bound sulfamide inhibitor Bio-AMS
分子名称: 1,2-ETHANEDIOL, 5'-deoxy-5'-[({5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}sulfamoyl)amino]adenosine, Histidine triad nucleotide-binding protein 1
著者Maize, K.M, Finzel, B.C.
登録日2016-02-08
公開日2016-06-22
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Design, Synthesis, and Characterization of Sulfamide and Sulfamate Nucleotidomimetic Inhibitors of hHint1.
Acs Med.Chem.Lett., 7, 2016
3D2B
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BU of 3d2b by Molmil
Structure of 2D9, a thermostable mutant of Bacillus subtilis lipase obtained through directed evolution
分子名称: Lipase
著者Sankaranarayanan, R, Kamal, M.Z.
登録日2008-05-08
公開日2008-06-03
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Thermostable Bacillus subtilis lipases: in vitro evolution and structural insight
J.Mol.Biol., 381, 2008
4UC5
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BU of 4uc5 by Molmil
Neisseria Meningitidis DAH7PS-Phenylalanine regulated
分子名称: DI(HYDROXYETHYL)ETHER, MANGANESE (II) ION, PHENYLALANINE, ...
著者Heyes, L.C, Lang, E.J.M, Parker, E.J.
登録日2014-12-03
公開日2015-11-25
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.19 Å)
主引用文献Calculated Pka Variations Expose Dynamic Allosteric Communication Networks.
J.Am.Chem.Soc., 138, 2016
5ANV
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BU of 5anv by Molmil
MTH1 in complex with compound 15
分子名称: 4-(4-CHLORO-2-FLUORO-ANILINO)-6,7-DIMETHOXY-N-METHYL-QUINOLINE-3-CARBOXAMIDE, 7,8-DIHYDRO-8-OXOGUANINE TRIPHOSPHATASE
著者Read, J.A, Breed, J.
登録日2015-09-08
公開日2016-03-02
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.16 Å)
主引用文献Potent and Selective Inhibitors of Mth1 Probe its Role in Cancer Cell Survival.
J.Med.Chem., 59, 2016
3D5V
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BU of 3d5v by Molmil
Crystal structure of an activated (Thr->Asp) Polo-like kinase 1 (Plk1) catalytic domain.
分子名称: Polo-like kinase 1
著者Elling, R.A, Fucini, R.V, Romanowski, M.J.
登録日2008-05-17
公開日2008-08-26
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structures of the wild-type and activated catalytic domains of Brachydanio rerio Polo-like kinase 1 (Plk1): changes in the active-site conformation and interactions with ligands.
Acta Crystallogr.,Sect.D, 64, 2008
5I8F
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BU of 5i8f by Molmil
Crystal structure of St. John's wort Hyp-1 protein in complex with melatonin
分子名称: GLYCEROL, N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide, Phenolic oxidative coupling protein, ...
著者Sliwiak, J, Dauter, Z, Jaskolski, M.
登録日2016-02-18
公開日2016-05-25
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Crystal Structure of Hyp-1, a Hypericum perforatum PR-10 Protein, in Complex with Melatonin.
Front Plant Sci, 7, 2016
4UHI
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BU of 4uhi by Molmil
HUMAN STEROL 14-ALPHA DEMETHYLASE (CYP51) IN COMPLEX WITH VFV IN C121 SPACE GROUP
分子名称: N-[(1R)-1-(3,4'-difluorobiphenyl-4-yl)-2-(1H-imidazol-1-yl)ethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide, PROTOPORPHYRIN IX CONTAINING FE, STEROL 14-ALPHA DEMETHYLASE
著者Hargrove, T.Y, Wawrzak, Z, I Lepesheva, G.
登録日2015-03-24
公開日2016-06-08
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.04 Å)
主引用文献Human Sterol 14Alpha-Demethylase (Cyp51) as a Target for Anticancer Chemotherapy: Towards Structure-Aided Drug Design.
J.Lipid Res., 57, 2016
5I5K
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BU of 5i5k by Molmil
Structure of complement C5 in complex with eculizumab
分子名称: Complement C5, Eculizumab heavy chain (variable domain), Eculizumab light chain (variable domain), ...
著者Schatz-Jakobsen, J.A, Andersen, G.R.
登録日2016-02-15
公開日2016-03-16
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (4.2 Å)
主引用文献Structural Basis for Eculizumab-Mediated Inhibition of the Complement Terminal Pathway.
J Immunol., 197, 2016
5I2G
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BU of 5i2g by Molmil
1,2-propanediol Dehydration in Roseburia inulinivorans; Structural Basis for Substrate and Enantiomer Selectivity
分子名称: Diol dehydratase, S-1,2-PROPANEDIOL
著者LaMattina, J.W, Reitzer, P, Kapoor, S, Galzerani, F, Koch, D.J, Gouvea, I.E, Lanzilotta, W.N.
登録日2016-02-08
公開日2016-06-01
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.352 Å)
主引用文献1,2-Propanediol Dehydration in Roseburia inulinivorans: STRUCTURAL BASIS FOR SUBSTRATE AND ENANTIOMER SELECTIVITY.
J.Biol.Chem., 291, 2016
5ILA
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BU of 5ila by Molmil
Deg9 protease domain
分子名称: Protease Do-like 9
著者Ouyang, M, Liu, L, Li, X.Y, Zhao, S, Zhang, L.X.
登録日2016-03-04
公開日2017-03-08
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (3.001 Å)
主引用文献The crystal structure of Deg9 reveals a novel octameric-type HtrA protease
Nat Plants, 3, 2017
5I97
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Structural analysis and inhibition of TraE from the pKM101 type IV secretion system
分子名称: Conjugal transfer protein
著者Casu, B, Sygusch, J, Baron, C.
登録日2016-02-19
公開日2016-09-28
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.441 Å)
主引用文献Structural Analysis and Inhibition of TraE from the pKM101 Type IV Secretion System.
J.Biol.Chem., 291, 2016
4WJ5
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BU of 4wj5 by Molmil
Structure of HLA-A2 in complex with an altered peptide ligands based on Mart-1 variant epitope
分子名称: Beta-2-microglobulin, GLYCEROL, HLA class I histocompatibility antigen, ...
著者Celie, P.H.N, Rodenko, B, Ovaa, H.
登録日2014-09-29
公開日2014-10-29
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Altered Peptide Ligands Revisited: Vaccine Design through Chemically Modified HLA-A2-Restricted T Cell Epitopes.
J Immunol., 193, 2014
3DAT
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BU of 3dat by Molmil
Crystal structure of the ternary MTX NADPH complex of Bacillus anthracis dihydrofolate reductase
分子名称: Dihydrofolate reductase, METHOTREXATE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Bennett, B.C, Dealwis, C.G.
登録日2008-05-30
公開日2009-04-14
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献X-ray structure of the ternary MTX.NADPH complex of the anthrax dihydrofolate reductase: a pharmacophore for dual-site inhibitor design.
J.Struct.Biol., 166, 2009
4WAI
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BU of 4wai by Molmil
Structural characterization of the late competence protein ComFB from Bacillus subtilis.
分子名称: ComF operon protein 2, ZINC ION
著者Sysoeva, T.A, Bane, L.B, Xiao, D, Gaudet, R, Burton, B.M.
登録日2014-08-29
公開日2014-12-10
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.427 Å)
主引用文献Structural characterization of the late competence protein ComFB from Bacillus subtilis.
Biosci.Rep., 35, 2015
4UQM
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BU of 4uqm by Molmil
Crystal structure determination of uracil-DNA N-glycosylase (UNG) from Deinococcus radiodurans in complex with DNA - new insights into the role of the Leucine-loop for damage recognition and repair
分子名称: 5'-D(*CP*CP*TP*AP*TP*CP*CP*AP*AAB*GP*TP*CP*TP*CP*CP*G)-3', 5'-D(*GP*CP*GP*GP*AP*GP*AP*CP*AP*TP*GP*GP*AP*CP*AP*G)-3', CHLORIDE ION, ...
著者Pedersen, H.L, Johnson, K.A, McVey, C.E, Leiros, I, Moe, E.
登録日2014-06-24
公開日2015-08-12
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Structure determination of uracil-DNA N-glycosylase from Deinococcus radiodurans in complex with DNA.
Acta Crystallogr. D Biol. Crystallogr., 71, 2015
4WHV
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E3 ubiquitin-protein ligase RNF8 in complex with Ubiquitin-conjugating enzyme E2 N and Polyubiquitin-B
分子名称: E3 ubiquitin-protein ligase RNF8, Polyubiquitin-B, Ubiquitin-conjugating enzyme E2 N, ...
著者Hodge, C.D, Edwards, R.A, Glover, J.N.M.
登録日2014-09-23
公開日2015-09-30
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (8.3 Å)
主引用文献RNF8 E3 Ubiquitin Ligase Stimulates Ubc13 E2 Conjugating Activity That Is Essential for DNA Double Strand Break Signaling and BRCA1 Tumor Suppressor Recruitment.
J.Biol.Chem., 291, 2016
5C58
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A double mutant of serratia marcescens hemophore receptor HasR in complex with its hemophore HasA and heme
分子名称: HasR protein, Hemophore HasA, PROTOPORPHYRIN IX CONTAINING FE
著者Becker, S, Diederichs, K, Welte, W.
登録日2015-06-19
公開日2016-06-29
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.795 Å)
主引用文献Binding of HasA by its transmembrane receptor HasR follows a conformational funnel mechanism.
Eur.Biophys.J., 49, 2020
4LRB
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BU of 4lrb by Molmil
Phosphopentomutase S154G variant soaked with 2,3-dideoxyribose 5-phosphate
分子名称: 2,3-dideoxy-5-O-phosphono-alpha-D-ribofuranose, ACETATE ION, GLYCEROL, ...
著者Birmingham, W.A, Starbird, C.A, Panosian, T.D, Nannemann, D.P, Iverson, T.M, Bachmann, B.O.
登録日2013-07-19
公開日2013-07-31
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Bioretrosynthetic construction of a didanosine biosynthetic pathway.
Nat.Chem.Biol., 10, 2014

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