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2EG4
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BU of 2eg4 by Molmil
Crystal Structure of Probable Thiosulfate Sulfurtransferase
Descriptor: Probable thiosulfate sulfurtransferase, SULFATE ION, ZINC ION
Authors:Sakai, H, Ebihara, A, Kitamura, Y, Shinkai, A, Kuramitsu, S, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2007-02-27
Release date:2008-03-04
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.7 Å)
Cite: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
Descriptor: (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
Authors:Shimizu, H, Suzuki, M, Katakura, S, Yamazaki, K, Higashihashi, N, Ichikawa, M, Yokomizo, A, Itoh, M, Sugita, K, Usui, H.
Deposit date:2010-12-22
Release date:2011-12-21
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2 Å)
Cite:Discovery of a new 2-aminobenzhydrol template for highly potent squalene synthase inhibitors
Bioorg.Med.Chem., 19, 2011
6QJB
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BU of 6qjb by Molmil
Truncated Evasin-3 (tEv3 17-56)
Descriptor: Evasin-3
Authors:Denisov, S.S, Ippel, J.H, Heinzman, A.C.A, Koenen, R.R, Ortega-Gomez, A, Soehnlein, O, Hackeng, T.M, Dijkgraaf, I.
Deposit date:2019-01-24
Release date:2019-07-03
Last modified:2023-06-14
Method:SOLUTION NMR
Cite: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
Descriptor: 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'), ...
Authors:Schmitt, A, Berntsson, R.P.A.
Deposit date:2018-04-26
Release date:2018-05-16
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.794 Å)
Cite: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
Descriptor: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL, ...
Authors:Alam, A, Locher, K.P.
Deposit date:2019-01-08
Release date:2019-02-27
Last modified:2021-06-02
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite: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
Descriptor: 4-(2-aminoethyl)-2-cyclohexylphenol, beta-secretase 1
Authors:Kuglstatter, A, Hennig, M.
Deposit date:2008-01-02
Release date:2008-03-11
Last modified:2021-11-10
Method:X-RAY DIFFRACTION (2.3 Å)
Cite: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
Descriptor: (2~{S})-6-methyl-5-nitro-2-(trifluoromethyl)-2,3-dihydrochromen-4-one, IQ motif and SEC7 domain-containing protein 1, NONAETHYLENE GLYCOL
Authors:Nawrotek, A, Zeghouf, M, Cherfils, J.
Deposit date:2018-02-03
Release date:2019-03-13
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.501 Å)
Cite: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
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, MANGANESE (II) ION, ...
Authors:Ernst, P, Pluckthun, A, Mittl, P.R.E.
Deposit date:2019-01-08
Release date:2019-11-06
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2.6 Å)
Cite: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
Descriptor: Ephrin type-A receptor 2
Authors: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)
Deposit date:2008-02-14
Release date:2008-03-25
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.95 Å)
Cite: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
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, MANGANESE (II) ION, ...
Authors:Ernst, P, Pluckthun, A, Mittl, P.R.E.
Deposit date:2019-01-10
Release date:2019-11-06
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.3 Å)
Cite: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
Descriptor: TRYPSIN INHIBITOR 1
Authors:Sledz, P, Bolewska, K, Bierzynski, A, Zhukov, I.
Deposit date:2007-05-30
Release date:2007-06-19
Last modified:2019-10-09
Method:SOLUTION NMR
Cite: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
Descriptor: ACETIC ACID, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
Authors:Michalska, K, Kowiel, M, Bigelow, L, Endres, M, Gilski, M, Jaskolski, M, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2019-01-30
Release date:2019-03-27
Last modified:2022-03-30
Method:X-RAY DIFFRACTION (2.54 Å)
Cite: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
Descriptor: 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
Authors:Rinaldo-Matthis, A, Schramm, V.L, Almo, S.C.
Deposit date:2006-08-22
Release date:2007-06-05
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.74 Å)
Cite: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
Descriptor: 2-Cys Peroxiredoxin
Authors: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)
Deposit date:2006-08-31
Release date:2006-09-19
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.45 Å)
Cite: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
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, D-phenylalanyl-N-[(4-chloropyridin-3-yl)methyl]-L-prolinamide, GLYCEROL, ...
Authors:Biela, A, Heine, A, Klebe, G.
Deposit date:2011-06-16
Release date:2012-06-20
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.52 Å)
Cite: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
Descriptor: 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, ...
Authors: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.
Deposit date:2018-03-09
Release date:2018-08-22
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.1 Å)
Cite: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
Descriptor: 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
Authors: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)
Deposit date:2008-01-28
Release date:2008-02-19
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite: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
Descriptor: JACALIN, methyl alpha-D-galactopyranoside
Authors:Sankaranarayanan, R, Sekar, K, Banerjee, R, Sharma, V, Surolia, A, Vijayan, M.
Deposit date:1996-05-22
Release date:1997-06-05
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.43 Å)
Cite: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
Descriptor: Disks large homolog 4
Authors:Camara-Artigas, A.
Deposit date:2019-01-24
Release date:2019-04-17
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.5 Å)
Cite: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
Descriptor: Disks large homolog 4, GLYCEROL, SULFATE ION
Authors:Camara-Artigas, A.
Deposit date:2019-01-24
Release date:2019-04-17
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.043 Å)
Cite: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.
Descriptor: Hypothetical Protein RPA1041
Authors:Eletsky, A, Atreya, H.S, Liu, G, Sukumaran, D, Garcia, M, Yee, A, Arrowsmith, C, Szyperski, T, Northeast Structural Genomics Consortium (NESG)
Deposit date:2006-06-26
Release date:2006-07-25
Last modified:2024-05-29
Method:SOLUTION NMR
Cite: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
Descriptor: 4-[[3-[(2-azanyl-4-chloranyl-phenyl)carbamoylamino]phenyl]sulfonylamino]benzoic acid, NS5 methyltransferase dengue virus, S-ADENOSYLMETHIONINE
Authors:Barral, K, Bricogne, G, Sharff, A.
Deposit date:2015-10-28
Release date:2016-10-26
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.303 Å)
Cite: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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BU of 6ql0 by Molmil
Cationic Trypsin in Complex with a D-Phe-Pro-p-aminopyridine derivative
Descriptor: (2~{S})-1-[(2~{R})-2-azanyl-3-phenyl-propanoyl]-~{N}-[(6-azanylpyridin-3-yl)methyl]pyrrolidine-2-carboxamide, 1,2-ETHANEDIOL, CALCIUM ION, ...
Authors:Ngo, K, Heine, A, Klebe, G.
Deposit date:2019-01-31
Release date:2020-02-19
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.634 Å)
Cite:Thrombin in Complex with a D-Phe-Pro-diaminopyridine derivative
To Be Published
6QJG
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BU of 6qjg by Molmil
Crystal Structure of the third PDZ domain of PSD-95 protein D332P mutant: space group C121, structure 2
Descriptor: Disks large homolog 4
Authors:Camara-Artigas, A.
Deposit date:2019-01-24
Release date:2019-04-17
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.003 Å)
Cite: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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BU of 6qjk by Molmil
Crystal Structure of the third PDZ domain of PSD-95 protein D332G mutant: space group P43
Descriptor: Disks large homolog 4, GLYCEROL, SULFATE ION
Authors:Camara-Artigas, A.
Deposit date:2019-01-24
Release date:2019-04-17
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.046 Å)
Cite: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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數據於2024-07-17公開中

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