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2EG4
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BU of 2eg4 by Molmil
Crystal Structure of Probable Thiosulfate Sulfurtransferase
分子名称: Probable thiosulfate sulfurtransferase, SULFATE ION, ZINC ION
著者Sakai, H, Ebihara, A, Kitamura, Y, Shinkai, A, Kuramitsu, S, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日2007-02-27
公開日2008-03-04
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal Structure of Probable Thiosulfate Sulfurtransferase
To be Published
3ASX
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BU of 3asx by Molmil
Human Squalene synthase in complex with 1-{4-[{4-chloro-2-[(2-chlorophenyl)(hydroxy)methyl]phenyl}(2,2-dimethylpropyl)amino]-4-oxobutanoyl}piperidine-3-carboxylic acid
分子名称: (3R)-1-{4-[{4-chloro-2-[(S)-(2-chlorophenyl)(hydroxy)methyl]phenyl}(2,2-dimethylpropyl)amino]-4-oxobutanoyl}piperidine-3-carboxylic acid, PHOSPHATE ION, Squalene synthase
著者Shimizu, H, Suzuki, M, Katakura, S, Yamazaki, K, Higashihashi, N, Ichikawa, M, Yokomizo, A, Itoh, M, Sugita, K, Usui, H.
登録日2010-12-22
公開日2011-12-21
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Discovery of a new 2-aminobenzhydrol template for highly potent squalene synthase inhibitors
Bioorg.Med.Chem., 19, 2011
6QJB
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Truncated Evasin-3 (tEv3 17-56)
分子名称: Evasin-3
著者Denisov, S.S, Ippel, J.H, Heinzman, A.C.A, Koenen, R.R, Ortega-Gomez, A, Soehnlein, O, Hackeng, T.M, Dijkgraaf, I.
登録日2019-01-24
公開日2019-07-03
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Tick saliva protein Evasin-3 modulates chemotaxis by disrupting CXCL8 interactions with glycosaminoglycans and CXCR2.
J.Biol.Chem., 294, 2019
6GED
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BU of 6ged by Molmil
Adhesin domain of PrgB from Enterococcus faecalis bound to DNA
分子名称: 1,2-ETHANEDIOL, DNA (5'-D(P*CP*GP*GP*GP*CP*CP*GP*CP*CP*C)-3'), DNA (5'-D(P*GP*GP*GP*CP*GP*GP*CP*CP*CP*G)-3'), ...
著者Schmitt, A, Berntsson, R.P.A.
登録日2018-04-26
公開日2018-05-16
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.794 Å)
主引用文献PrgB promotes aggregation, biofilm formation, and conjugation through DNA binding and compaction.
Mol. Microbiol., 109, 2018
6QEX
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BU of 6qex by Molmil
Nanodisc reconstituted human ABCB1 in complex with UIC2 fab and taxol
分子名称: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL, ...
著者Alam, A, Locher, K.P.
登録日2019-01-08
公開日2019-02-27
最終更新日2021-06-02
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Structural insight into substrate and inhibitor discrimination by human P-glycoprotein.
Science, 363, 2019
3BUH
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BU of 3buh by Molmil
BACE-1 complexed with compound 4
分子名称: 4-(2-aminoethyl)-2-cyclohexylphenol, beta-secretase 1
著者Kuglstatter, A, Hennig, M.
登録日2008-01-02
公開日2008-03-11
最終更新日2021-11-10
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Tyramine fragment binding to BACE-1
Bioorg.Med.Chem.Lett., 18, 2008
6FNE
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BU of 6fne by Molmil
Structure of human Brag2 (Sec7-PH domains) with the inhibitor Bragsin bound to the PH domain
分子名称: (2~{S})-6-methyl-5-nitro-2-(trifluoromethyl)-2,3-dihydrochromen-4-one, IQ motif and SEC7 domain-containing protein 1, NONAETHYLENE GLYCOL
著者Nawrotek, A, Zeghouf, M, Cherfils, J.
登録日2018-02-03
公開日2019-03-13
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.501 Å)
主引用文献PH-domain-binding inhibitors of nucleotide exchange factor BRAG2 disrupt Arf GTPase signaling.
Nat.Chem.Biol., 15, 2019
6QEP
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BU of 6qep by Molmil
EngBF DARPin Fusion 4b H14
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, MANGANESE (II) ION, ...
著者Ernst, P, Pluckthun, A, Mittl, P.R.E.
登録日2019-01-08
公開日2019-11-06
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural analysis of biological targets by host:guest crystal lattice engineering.
Sci Rep, 9, 2019
3C8X
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BU of 3c8x by Molmil
Crystal structure of the ligand binding domain of human Ephrin A2 (Epha2) receptor protein kinase
分子名称: Ephrin type-A receptor 2
著者Walker, J.R, Yermekbayeva, L, Seitova, A, Butler-Cole, C, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC)
登録日2008-02-14
公開日2008-03-25
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Architecture of Eph receptor clusters.
Proc.Natl.Acad.Sci.USA, 107, 2010
6QFO
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BU of 6qfo by Molmil
EngBF DARPin Fusion 9b 3G124
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, MANGANESE (II) ION, ...
著者Ernst, P, Pluckthun, A, Mittl, P.R.E.
登録日2019-01-10
公開日2019-11-06
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural analysis of biological targets by host:guest crystal lattice engineering.
Sci Rep, 9, 2019
2V1V
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BU of 2v1v by Molmil
3D STRUCTURE OF THE M8L MUTANT OF SQUASH TRYPSIN INHIBITOR CMTI-I
分子名称: TRYPSIN INHIBITOR 1
著者Sledz, P, Bolewska, K, Bierzynski, A, Zhukov, I.
登録日2007-05-30
公開日2007-06-19
最終更新日2019-10-09
実験手法SOLUTION NMR
主引用文献Conservative mutation Met8 --> Leu affects the folding process and structural stability of squash trypsin inhibitor CMTI-I.
Protein Sci., 9, 2000
6QKY
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BU of 6qky by Molmil
Tryptophan synthase subunit alpha from Streptococcus pneumoniae with 3D domain swap in the core of TIM barrel
分子名称: ACETIC ACID, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
著者Michalska, K, Kowiel, M, Bigelow, L, Endres, M, Gilski, M, Jaskolski, M, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2019-01-30
公開日2019-03-27
最終更新日2022-03-30
実験手法X-RAY DIFFRACTION (2.54 Å)
主引用文献3D domain swapping in the TIM barrel of the alpha subunit of Streptococcus pneumoniae tryptophan synthase.
Acta Crystallogr D Struct Biol, 76, 2020
2I4T
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BU of 2i4t by Molmil
Crystal structure of Purine Nucleoside Phosphorylase from Trichomonas vaginalis with Imm-A
分子名称: 3,4-PYRROLIDINEDIOL,2-(4-AMINO-5H-PYRROLO[3,2-D]PYRIMIDIN-7-YL)-5-(HYDROXYMETHYL)-2S,3S,4R,5R, PHOSPHATE ION, Trichomonas vaginalis purine nucleoside phosphorylase
著者Rinaldo-Matthis, A, Schramm, V.L, Almo, S.C.
登録日2006-08-22
公開日2007-06-05
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.74 Å)
主引用文献Inhibition and structure of Trichomonas vaginalis purine nucleoside phosphorylase with picomolar transition state analogues.
Biochemistry, 46, 2007
2I81
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BU of 2i81 by Molmil
Crystal Structure of Plasmodium vivax 2-Cys Peroxiredoxin, Reduced
分子名称: 2-Cys Peroxiredoxin
著者Artz, J.D, Qiu, W, Dong, A, Lew, J, Ren, H, Zhao, Y, Kozieradski, I, Edwards, A.M, Arrowsmith, C.H, Weigelt, J, Sundstrom, M, Bochkarev, A, Hui, R, Structural Genomics Consortium (SGC)
登録日2006-08-31
公開日2006-09-19
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Crystal Structure of Plasmodium vivax 2-Cys Peroxiredoxin, Reduced
To be published
3SHA
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BU of 3sha by Molmil
Human Thrombin In Complex With UBTHR97
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, D-phenylalanyl-N-[(4-chloropyridin-3-yl)methyl]-L-prolinamide, GLYCEROL, ...
著者Biela, A, Heine, A, Klebe, G.
登録日2011-06-16
公開日2012-06-20
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.52 Å)
主引用文献Impact of ligand and protein desolvation on ligand binding to the S1 pocket of thrombin
J.Mol.Biol., 418, 2012
6FXR
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BU of 6fxr by Molmil
Crystal Structure of full-length Human Lysyl Hydroxylase LH3 - Cocrystal with Fe2+, Mn2+, UDP-Gal
分子名称: 2-OXOGLUTARIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Scietti, L, Chiapparino, A, De Giorgi, F, Fumagalli, M, Khoriauli, L, Nergadze, S, Basu, S, Olieric, V, Banushi, B, Giulotto, E, Gissen, P, Forneris, F.
登録日2018-03-09
公開日2018-08-22
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Molecular architecture of the multifunctional collagen lysyl hydroxylase and glycosyltransferase LH3.
Nat Commun, 9, 2018
3C3D
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BU of 3c3d by Molmil
Crystal structure of 2-phospho-(S)-lactate transferase from Methanosarcina mazei in complex with Fo and phosphate. Northeast Structural Genomics Consortium target MaR46
分子名称: 1-deoxy-1-(8-hydroxy-2,4-dioxo-3,4-dihydropyrimido[4,5-b]quinolin-10(2H)-yl)-D-ribitol, 2-phospho-L-lactate transferase, PHOSPHATE ION
著者Forouhar, F, Abashidze, M, Xu, H, Grochowski, L.L, Seetharaman, J, Hussain, M, Kuzin, A.P, Chen, Y, Zhou, W, Xiao, R, Acton, T.B, Montelione, G.T, Galinier, A, White, R.H, Tong, L, Northeast Structural Genomics Consortium (NESG)
登録日2008-01-28
公開日2008-02-19
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Molecular insights into the biosynthesis of the f420 coenzyme.
J.Biol.Chem., 283, 2008
1JAC
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BU of 1jac by Molmil
A NOVEL MODE OF CARBOHYDRATE RECOGNITION IN JACALIN, A MORACEAE PLANT LECTIN WITH A BETA-PRISM
分子名称: JACALIN, methyl alpha-D-galactopyranoside
著者Sankaranarayanan, R, Sekar, K, Banerjee, R, Sharma, V, Surolia, A, Vijayan, M.
登録日1996-05-22
公開日1997-06-05
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.43 Å)
主引用文献A novel mode of carbohydrate recognition in jacalin, a Moraceae plant lectin with a beta-prism fold.
Nat.Struct.Biol., 3, 1996
6QJF
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BU of 6qjf by Molmil
Crystal Structure of the third PDZ domain of PSD-95 protein D332P mutant: space group C121, structure 1
分子名称: Disks large homolog 4
著者Camara-Artigas, A.
登録日2019-01-24
公開日2019-04-17
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Conformational changes in the third PDZ domain of the neuronal postsynaptic density protein 95.
Acta Crystallogr D Struct Biol, 75, 2019
6QJL
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BU of 6qjl by Molmil
Crystal Structure of the third PDZ domain of PSD-95 protein D332G mutant: space group P21
分子名称: Disks large homolog 4, GLYCEROL, SULFATE ION
著者Camara-Artigas, A.
登録日2019-01-24
公開日2019-04-17
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.043 Å)
主引用文献Conformational changes in the third PDZ domain of the neuronal postsynaptic density protein 95.
Acta Crystallogr D Struct Biol, 75, 2019
2HFV
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BU of 2hfv by Molmil
Solution NMR Structure of Protein RPA1041 from Pseudomonas aeruginosa. Northeast Structural Genomics Consortium Target PaT90.
分子名称: Hypothetical Protein RPA1041
著者Eletsky, A, Atreya, H.S, Liu, G, Sukumaran, D, Garcia, M, Yee, A, Arrowsmith, C, Szyperski, T, Northeast Structural Genomics Consortium (NESG)
登録日2006-06-26
公開日2006-07-25
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献Solution NMR Structure of Pseudomonas aeruginosa Hypothetical Protein RPA1041
TO BE PUBLISHED
5EHI
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BU of 5ehi by Molmil
DENGUE 3 NS5 METHYLTRANSFERASE BOUND TO S-ADENOSYL METHIONINE AND MOLECULE BF287
分子名称: 4-[[3-[(2-azanyl-4-chloranyl-phenyl)carbamoylamino]phenyl]sulfonylamino]benzoic acid, NS5 methyltransferase dengue virus, S-ADENOSYLMETHIONINE
著者Barral, K, Bricogne, G, Sharff, A.
登録日2015-10-28
公開日2016-10-26
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.303 Å)
主引用文献Discovery of novel dengue virus NS5 methyltransferase non-nucleoside inhibitors by fragment-based drug design.
Eur.J.Med.Chem., 125, 2016
6QL0
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Cationic Trypsin in Complex with a D-Phe-Pro-p-aminopyridine derivative
分子名称: (2~{S})-1-[(2~{R})-2-azanyl-3-phenyl-propanoyl]-~{N}-[(6-azanylpyridin-3-yl)methyl]pyrrolidine-2-carboxamide, 1,2-ETHANEDIOL, CALCIUM ION, ...
著者Ngo, K, Heine, A, Klebe, G.
登録日2019-01-31
公開日2020-02-19
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.634 Å)
主引用文献Thrombin in Complex with a D-Phe-Pro-diaminopyridine derivative
To Be Published
6QJG
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Crystal Structure of the third PDZ domain of PSD-95 protein D332P mutant: space group C121, structure 2
分子名称: Disks large homolog 4
著者Camara-Artigas, A.
登録日2019-01-24
公開日2019-04-17
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.003 Å)
主引用文献Conformational changes in the third PDZ domain of the neuronal postsynaptic density protein 95.
Acta Crystallogr D Struct Biol, 75, 2019
6QJK
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Crystal Structure of the third PDZ domain of PSD-95 protein D332G mutant: space group P43
分子名称: Disks large homolog 4, GLYCEROL, SULFATE ION
著者Camara-Artigas, A.
登録日2019-01-24
公開日2019-04-17
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.046 Å)
主引用文献Conformational changes in the third PDZ domain of the neuronal postsynaptic density protein 95.
Acta Crystallogr D Struct Biol, 75, 2019

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