2BBB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2bbb by Molmil](/molmil-images/mine/2bbb) | Structure of HIV1 protease and hh1_173_3a complex. | Descriptor: | (3S)-TETRAHYDROFURAN-3-YL (1R)-3-{(2R)-4-[(1S,3S)-3-(2-AMINO-2-OXOETHYL)-2,3-DIHYDRO-1H-INDEN-1-YL]-2-BENZYL-3-OXO-2,3-DIHYDRO-1H-PYRROL-2-YL}-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, Protease | Authors: | Smith III, A.B, Charnley, A.K, Kuo, L.C, Munshi, S. | Deposit date: | 2005-10-17 | Release date: | 2005-11-15 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Design, synthesis, and biological evaluation of monopyrrolinone-based HIV-1 protease inhibitors possessing augmented P2' side chains Bioorg.Med.Chem.Lett., 16, 2006
|
|
2B5Z
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2b5z by Molmil](/molmil-images/mine/2b5z) | Hen lysozyme chemically glycosylated | Descriptor: | (1S)-1,5-anhydro-1-(ethylsulfonyl)-D-glucitol, AZIDE ION, GLYCEROL, ... | Authors: | Lopez-Jaramillo, F.J, Perez-Balderas, F, Hernandez-Mateo, F, Santoyo-Gonzalez, F. | Deposit date: | 2005-09-29 | Release date: | 2006-10-03 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Production, crystallization and X-ray characterization of chemically glycosylated hen egg-white lysozyme. Acta Crystallogr.,Sect.F, 61, 2005
|
|
1IG7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1ig7 by Molmil](/molmil-images/mine/1ig7) | Msx-1 Homeodomain/DNA Complex Structure | Descriptor: | 5'-D(*CP*AP*CP*TP*AP*AP*TP*TP*GP*AP*AP*GP*G)-3', 5'-D(P*TP*CP*CP*TP*TP*CP*AP*AP*TP*TP*AP*GP*TP*GP*AP*C)-3', Homeotic protein Msx-1 | Authors: | Hovde, S, Abate-Shen, C, Geiger, J.H. | Deposit date: | 2001-04-17 | Release date: | 2001-04-23 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal structure of the Msx-1 homeodomain/DNA complex Biochemistry, 40, 2001
|
|
2B6H
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2b6h by Molmil](/molmil-images/mine/2b6h) | Structure of human ADP-ribosylation factor 5 | Descriptor: | ADP-ribosylation factor 5, CHLORIDE ION, GUANOSINE-5'-DIPHOSPHATE, ... | Authors: | Tempel, W, Atanassova, A, Sundarajan, E, Dimov, S, Shehab, I, Lew, J, Arrowsmith, C, Edwards, A, Sundstrom, M, Weigelt, J, Bochkarev, A, Park, H, Structural Genomics Consortium (SGC) | Deposit date: | 2005-10-01 | Release date: | 2005-10-11 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.764 Å) | Cite: | Structure of human ADP-ribosylation factor 5 To be Published
|
|
3AG9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3ag9 by Molmil](/molmil-images/mine/3ag9) | Complex of PKA with the bisubstrate protein kinase inhibitor ARC-1012 | Descriptor: | (10R,20R,23R)-10-(4-aminobutyl)-1-[(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]-20,23-bis(3-carbamimidamidopropyl)-1,8,11,18,21-pentaoxo-2,9,12,19,22-pentaazatetracosan-24-amide, cAMP-dependent protein kinase catalytic subunit alpha | Authors: | Pflug, A, Lavogina, D, Uri, A, Engh, R.A, Bossemeyer, D. | Deposit date: | 2010-03-26 | Release date: | 2010-09-01 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Diversity of bisubstrate binding modes of adenosine analogue-oligoarginine conjugates in protein kinase a and implications for protein substrate interactions. J.Mol.Biol., 403, 2010
|
|
3GXL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3gxl by Molmil](/molmil-images/mine/3gxl) | ALK-5 kinase complex with GW857175 | Descriptor: | N-1H-indazol-5-yl-2-(6-methylpyridin-2-yl)quinazolin-4-amine, TGF-beta receptor type-1 | Authors: | Smith, W, Janson, C. | Deposit date: | 2009-04-02 | Release date: | 2009-04-21 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Design of novel quinazoline derivatives and related analogues as potent and selective ALK5 inhibitors Bioorg.Med.Chem.Lett., 19, 2009
|
|
1ZML
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1zml by Molmil](/molmil-images/mine/1zml) | Crystal Structure of the Catalytic Domain of Factor XI in complex with (R)-1-(4-(4-(hydroxymethyl)-1,3,2-dioxaborolan-2-yl)phenethyl)guanidine | Descriptor: | (R)-1-(4-(4-(HYDROXYMETHYL)-1,3,2-DIOXABOROLAN-2-YL)PHENETHYL)GUANIDINE, BICARBONATE ION, Coagulation factor XI, ... | Authors: | Lazarova, T.I, Jin, L, Rynkiewicz, M.J, Gorga, J.C, Bibbins, F, Meyers, H.V, Babine, R.E, Strickler, J.E. | Deposit date: | 2005-05-10 | Release date: | 2006-05-09 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Synthesis and in vitro biological evaluation of aryl boronic acids as potential inhibitors of factor XIa. Bioorg.Med.Chem.Lett., 16, 2006
|
|
1TNK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1tnk by Molmil](/molmil-images/mine/1tnk) | |
1IJJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1ijj by Molmil](/molmil-images/mine/1ijj) | THE X-RAY CRYSTAL STRUCTURE OF THE COMPLEX BETWEEN RABBIT SKELETAL MUSCLE ACTIN AND LATRUNCULIN A AT 2.85 A RESOLUTION | Descriptor: | ACTIN, ALPHA SKELETAL MUSCLE, ADENOSINE-5'-TRIPHOSPHATE, ... | Authors: | Vorobiev, S.M, Bubb, M.R, Almo, S.C. | Deposit date: | 2001-04-26 | Release date: | 2002-04-15 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Polylysine induces an antiparallel actin dimer that nucleates filament assembly: crystal structure at 3.5-A resolution J.Biol.Chem., 277, 2002
|
|
1ZNI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1zni by Molmil](/molmil-images/mine/1zni) | INSULIN | Descriptor: | CHLORIDE ION, INSULIN, ZINC ION | Authors: | Turkenburg, M.G.W, Whittingham, J.L, Dodson, G.G, Dodson, E.J, Xiao, B, Bentley, G.A. | Deposit date: | 1997-09-23 | Release date: | 1998-01-28 | Last modified: | 2018-07-04 | Method: | X-RAY DIFFRACTION (1.498 Å) | Cite: | Structure of insulin in 4-zinc insulin. Nature, 261, 1976
|
|
2QLU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2qlu by Molmil](/molmil-images/mine/2qlu) | |
1IRD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1ird by Molmil](/molmil-images/mine/1ird) | |
1INU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1inu by Molmil](/molmil-images/mine/1inu) | CRYSTAL STRUCTURE OF MUTANT HUMAN LYSOZYME SUBSTITUTED AT THE SURFACE POSITIONS | Descriptor: | LYSOZYME, SODIUM ION | Authors: | Funahashi, J, Takano, K, Yamagata, Y, Yutani, K. | Deposit date: | 2000-12-04 | Release date: | 2000-12-20 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Positive contribution of hydration structure on the surface of human lysozyme to the conformational stability. J.Biol.Chem., 277, 2002
|
|
1ZOA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1zoa by Molmil](/molmil-images/mine/1zoa) | Crystal Structure Of A328V Mutant Of The Heme Domain Of P450Bm-3 With N-Palmitoylglycine | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Bifunctional P-450:NADPH-P450 reductase, GLYCEROL, ... | Authors: | Hegda, A, Chen, B, Haines, D.C, Bondlela, M, Mullin, D, Graham, S.E, Tomchick, D.R, Machius, M, Peterson, J.A. | Deposit date: | 2005-05-12 | Release date: | 2006-08-01 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | A single active-site mutation of P450BM-3 dramatically enhances substrate binding and rate of product formation. Biochemistry, 50, 2011
|
|
1IO5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1io5 by Molmil](/molmil-images/mine/1io5) | HYDROGEN AND HYDRATION OF HEN EGG-WHITE LYSOZYME DETERMINED BY NEUTRON DIFFRACTION | Descriptor: | LYSOZYME C | Authors: | Niimura, N, Minezaki, Y, Nonaka, T, Castagna, J.C, Cipriani, F, Hoeghoej, P, Lehmann, M.S, Wilkinson, C. | Deposit date: | 2001-01-14 | Release date: | 2001-02-07 | Last modified: | 2023-10-25 | Method: | NEUTRON DIFFRACTION (2 Å) | Cite: | Neutron Laue diffractometry with an imaging plate provides an effective data collection regime for neutron protein crystallography. Nat.Struct.Biol., 4, 1997
|
|
2B8L
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2b8l by Molmil](/molmil-images/mine/2b8l) | Crystal structure of human beta secretase complexed with inhibitor | Descriptor: | Beta-secretase 1, N-[(1S,2R)-1-BENZYL-3-(CYCLOPROPYLAMINO)-2-HYDROXYPROPYL]-5-[METHYL(METHYLSULFONYL)AMINO]-N'-[(1R)-1-PHENYLETHYL]ISOPHTHALAMIDE | Authors: | Munshi, S.K, Kuo, L. | Deposit date: | 2005-10-07 | Release date: | 2005-10-18 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Conformationally biased P3 amide replacements of beta-secretase inhibitors Bioorg.Med.Chem.Lett., 16, 2006
|
|
1IP5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1ip5 by Molmil](/molmil-images/mine/1ip5) | G105A HUMAN LYSOZYME | Descriptor: | LYSOZYME C, SODIUM ION | Authors: | Takano, K, Yamagata, Y, Yutani, K. | Deposit date: | 2001-04-20 | Release date: | 2001-11-14 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Role of amino acid residues in left-handed helical conformation for the conformational stability of a protein. Proteins, 45, 2001
|
|
1Z6S
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1z6s by Molmil](/molmil-images/mine/1z6s) | Ribonuclease A- AMP complex | Descriptor: | ADENOSINE MONOPHOSPHATE, Ribonuclease pancreatic | Authors: | Hatzopoulos, G.N, Leonidas, D.D, Kardakaris, R, Kobe, J, Oikonomakos, N.G. | Deposit date: | 2005-03-23 | Release date: | 2005-08-16 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | The binding of IMP to Ribonuclease A Febs J., 272, 2005
|
|
1ZPB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1zpb by Molmil](/molmil-images/mine/1zpb) | Crystal Structure of the Catalytic Domain of Coagulation Factor XI in Complex with 4-Methyl-pentanoic acid {1-[4-guanidino-1-(thiazole-2-carbonyl)-butylcarbamoyl]-2-methyl-propyl}-amide | Descriptor: | 4-METHYL-PENTANOIC ACID {1-[4-GUANIDINO-1-(THIAZOLE-2-CARBONYL)-BUTYLCARBAMOYL]-2-METHYL-PROPYL}-AMIDE, Coagulation factor XI, SULFATE ION | Authors: | Deng, H, Bannister, T.D, Jin, L, Nagafuji, P, Celatka, C.A, Lin, J, Lazarova, T.I, Rynkiewicz, M.J, Quinn, J, Bibbins, F, Pandey, P, Gorga, J, Babine, R.E, Meyers, H.V, Abdel-Meguid, S.S, Strickler, J.E. | Deposit date: | 2005-05-16 | Release date: | 2006-04-18 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Synthesis, SAR exploration, and X-ray crystal structures of factor XIa inhibitors containing an alpha-ketothiazole arginine Bioorg.Med.Chem.Lett., 16, 2006
|
|
1IVF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1ivf by Molmil](/molmil-images/mine/1ivf) | STRUCTURES OF AROMATIC INHIBITORS OF INFLUENZA VIRUS NEURAMINIDASE | Descriptor: | 2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Jedrzejas, M.J, Luo, M. | Deposit date: | 1994-12-12 | Release date: | 1995-03-31 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structures of aromatic inhibitors of influenza virus neuraminidase. Biochemistry, 34, 1995
|
|
3AMB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3amb by Molmil](/molmil-images/mine/3amb) | Protein kinase A sixfold mutant model of Aurora B with inhibitor VX-680 | Descriptor: | CYCLOPROPANECARBOXYLIC ACID {4-[4-(4-METHYL-PIPERAZIN-1-YL)-6-(5-METHYL-2H-PYRAZOL-3-YLAMINO)-PYRIMIDIN-2-YLSULFANYL]-PHENYL}-AMIDE, cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha | Authors: | Pflug, A, de Oliveira, T.M, Bossemeyer, D, Engh, R.A. | Deposit date: | 2010-08-18 | Release date: | 2011-08-03 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Mutants of protein kinase A that mimic the ATP-binding site of Aurora kinase Biochem.J., 440, 2011
|
|
2BAT
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2bat by Molmil](/molmil-images/mine/2bat) | THE STRUCTURE OF THE COMPLEX BETWEEN INFLUENZA VIRUS NEURAMINIDASE AND SIALIC ACID, THE VIRAL RECEPTOR | Descriptor: | 2-acetamido-2-deoxy-4-O-sulfo-alpha-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-alpha-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Varghese, J.N, Colman, P.M. | Deposit date: | 1992-08-10 | Release date: | 1994-01-31 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The structure of the complex between influenza virus neuraminidase and sialic acid, the viral receptor. Proteins, 14, 1992
|
|
1IQT
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1iqt by Molmil](/molmil-images/mine/1iqt) | Solution structure of the C-terminal RNA-binding domain of heterogeneous nuclear ribonucleoprotein D0 (AUF1) | Descriptor: | heterogeneous nuclear ribonucleoprotein D0 | Authors: | Katahira, M, Miyanoiri, Y, Enokizono, Y, Matsuda, G, Nagata, T, Ishikawa, F, Uesugi, S. | Deposit date: | 2001-08-01 | Release date: | 2002-08-07 | Last modified: | 2023-12-27 | Method: | SOLUTION NMR | Cite: | Structure of the C-terminal RNA-binding domain of hnRNP D0 (AUF1), its interactions with RNA and DNA, and change in backbone dynamics upon complex formation with DNA. J.Mol.Biol., 311, 2001
|
|
2BB4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2bb4 by Molmil](/molmil-images/mine/2bb4) | Porcine pancreatic elastase complexed with beta-casomorphin-7 and Asp-Phe at pH 5.0 | Descriptor: | ASPARTIC ACID, CALCIUM ION, Elastase-1, ... | Authors: | Liu, B, Schofield, C.J, Wilmouth, R.C. | Deposit date: | 2005-10-17 | Release date: | 2006-05-30 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structural analyses on intermediates in serine protease catalysis J.Biol.Chem., 281, 2006
|
|
1IWJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1iwj by Molmil](/molmil-images/mine/1iwj) | Putidaredoxin-Binding Stablilizes an Active Conformer of Cytochrome P450cam in its Reduced State; Crystal Structure of Mutant(109K) Cytochrome P450cam | Descriptor: | CAMPHOR, CYTOCHROME P450-CAM, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Nagano, S, Shimada, H, Tarumi, A, Hishiki, T, Kimata-Ariga, Y, Egawa, T, Park, S.-Y, Adachi, S, Shiro, Y, Ishimura, Y, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2002-05-15 | Release date: | 2002-06-05 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Infrared spectroscopic and mutational studies on putidaredoxin-induced conformational changes in ferrous CO-P450cam Biochemistry, 42, 2003
|
|