4TKB
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![BU of 4tkb by Molmil](/molmil-images/mine/4tkb) | The 0.86 angstrom X-ray structure of the human heart fatty acid-binding protein complexed with lauric acid | Descriptor: | Fatty acid-binding protein, heart, HEXAETHYLENE GLYCOL, ... | Authors: | Sugiyama, S, Matsuoka, S, Mizohata, E, Matsuoka, D, Ishida, H, Hirose, M, Kakinouchi, K, Hara, T, Murakami, S, Inoue, T, Murata, M. | Deposit date: | 2014-05-26 | Release date: | 2015-01-28 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (0.86 Å) | Cite: | Water-mediated recognition of simple alkyl chains by heart-type Fatty-Acid-binding protein Angew.Chem.Int.Ed.Engl., 54, 2015
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4TJZ
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![BU of 4tjz by Molmil](/molmil-images/mine/4tjz) | The 0.87 angstrom X-ray structure of the human heart fatty acid-binding protein complexed with capric acid | Descriptor: | DECANOIC ACID, Fatty acid-binding protein, heart, ... | Authors: | Sugiyama, S, Matsuoka, S, Mizohata, E, Ishida, H, Hirose, M, Kakinouchi, K, Hara, T, Murakami, S, Inoue, T, Murata, M. | Deposit date: | 2014-05-25 | Release date: | 2015-01-28 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (0.87 Å) | Cite: | Water-mediated recognition of simple alkyl chains by heart-type Fatty-Acid-binding protein Angew.Chem.Int.Ed.Engl., 54, 2015
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4TKH
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![BU of 4tkh by Molmil](/molmil-images/mine/4tkh) | The 0.93 angstrom X-ray structure of the human heart fatty acid-binding protein complexed with myristic acid | Descriptor: | Fatty acid-binding protein, heart, HEXAETHYLENE GLYCOL, ... | Authors: | Sugiyama, S, Matsuoka, S, Mizohata, E, Matsuoka, D, Ishida, H, Hirose, M, Kakinouchi, K, Hara, T, Murakami, S, Inoue, T, Murata, M. | Deposit date: | 2014-05-26 | Release date: | 2015-01-28 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (0.93 Å) | Cite: | Water-mediated recognition of simple alkyl chains by heart-type Fatty-Acid-binding protein Angew.Chem.Int.Ed.Engl., 54, 2015
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4TKJ
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![BU of 4tkj by Molmil](/molmil-images/mine/4tkj) | The 0.87 angstrom X-ray structure of the human heart fatty acid-binding protein complexed with palmitic acid | Descriptor: | 2-amino-2-deoxy-6-O-phosphono-alpha-D-glucopyranose, Fatty acid-binding protein, heart, ... | Authors: | Sugiyama, S, Matsuoka, S, Mizohata, E, Matsuoka, D, Ishida, H, Hirose, M, Kakinouchi, K, Hara, T, Murakami, S, Inoue, T, Murata, M. | Deposit date: | 2014-05-26 | Release date: | 2015-01-28 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (0.87 Å) | Cite: | Water-mediated recognition of simple alkyl chains by heart-type Fatty-Acid-binding protein Angew.Chem.Int.Ed.Engl., 54, 2015
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2BU3
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![BU of 2bu3 by Molmil](/molmil-images/mine/2bu3) | Acyl-enzyme intermediate between Alr0975 and glutathione at pH 3.4 | Descriptor: | ALR0975 PROTEIN, CALCIUM ION, CHLORIDE ION, ... | Authors: | Vivares, D, Arnoux, P, Pignol, D. | Deposit date: | 2005-06-08 | Release date: | 2005-12-14 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | A Papain-Like Enzyme at Work: Native and Acyl- Enzyme Intermediate Structures in Phytochelatin Synthesis. Proc.Natl.Acad.Sci.USA, 102, 2005
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2WDS
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![BU of 2wds by Molmil](/molmil-images/mine/2wds) | Crystal structure of the Streptomyces coelicolor H110A AcpS mutant in complex with cofactor CoA at 1.3 A | Descriptor: | COENZYME A, HOLO-[ACYL-CARRIER-PROTEIN] SYNTHASE, MAGNESIUM ION | Authors: | Dall'Aglio, P, Arthur, C, Crump, M.P, Crosby, J, Hadfield, A.T. | Deposit date: | 2009-03-26 | Release date: | 2010-04-21 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Analysis of Streptomyces Coelicolor Phosphopantetheinyl Transferase, Acps, Reveals the Basis for Relaxed Substrate Specificity. Biochemistry, 50, 2011
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2WDO
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![BU of 2wdo by Molmil](/molmil-images/mine/2wdo) | Crystal structure of the S. coelicolor AcpS in complex with acetyl- CoA at 1.5 A | Descriptor: | ACETYL COENZYME *A, COENZYME A, GLYCEROL, ... | Authors: | Dall'Aglio, P, Arthur, C, Crump, M.P, Crosby, J, Hadfield, A.T. | Deposit date: | 2009-03-25 | Release date: | 2010-04-21 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.56 Å) | Cite: | Analysis of Streptomyces Coelicolor Phosphopantetheinyl Transferase, Acps, Reveals the Basis for Relaxed Substrate Specificity. Biochemistry, 50, 2011
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2BTW
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![BU of 2btw by Molmil](/molmil-images/mine/2btw) | Crystal structure of Alr0975 | Descriptor: | ALR0975 PROTEIN, CALCIUM ION | Authors: | Vivares, D, Arnoux, P, Pignol, D. | Deposit date: | 2005-06-07 | Release date: | 2005-12-14 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | A Papain-Like Enzyme at Work: Native and Acyl- Enzyme Intermediate Structures in Phytochelatin Synthesis. Proc.Natl.Acad.Sci.USA, 102, 2005
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2DCQ
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2WDY
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![BU of 2wdy by Molmil](/molmil-images/mine/2wdy) | Crystal structure of the Streptomyces coelicolor D111A AcpS mutant in complex with cofactor CoA at 1.4 A | Descriptor: | COENZYME A, HOLO-[ACYL-CARRIER-PROTEIN] SYNTHASE, MAGNESIUM ION, ... | Authors: | Dall'Aglio, P, Arthur, C, Crump, M.P, Crosby, J, Hadfield, A.T. | Deposit date: | 2009-03-27 | Release date: | 2010-04-21 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Analysis of Streptomyces Coelicolor Phosphopantetheinyl Transferase, Acps, Reveals the Basis for Relaxed Substrate Specificity. Biochemistry, 50, 2011
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5GUH
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![BU of 5guh by Molmil](/molmil-images/mine/5guh) | Crystal structure of silkworm PIWI-clade Argonaute Siwi bound to piRNA | Descriptor: | MAGNESIUM ION, PIWI, RNA (28-MER) | Authors: | Matsumoto, N, Nishimasu, H, Ishitani, R, Nureki, O. | Deposit date: | 2016-08-29 | Release date: | 2016-10-19 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal Structure of Silkworm PIWI-Clade Argonaute Siwi Bound to piRNA Cell, 167, 2016
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3ASX
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![BU of 3asx by Molmil](/molmil-images/mine/3asx) | 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
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5X52
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![BU of 5x52 by Molmil](/molmil-images/mine/5x52) | Human serum albumin complexed with octanoate and N-acetyl-L-methionine | Descriptor: | N-ACETYLMETHIONINE, OCTANOIC ACID (CAPRYLIC ACID), PHOSPHATE ION, ... | Authors: | Kawai, A, Otagiri, M. | Deposit date: | 2017-02-14 | Release date: | 2017-05-17 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (3.005 Å) | Cite: | Crystallographic analysis of the ternary complex of octanoate and N-acetyl-l-methionine with human serum albumin reveals the mode of their stabilizing interactions Biochim. Biophys. Acta, 1865, 2017
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2E2B
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![BU of 2e2b by Molmil](/molmil-images/mine/2e2b) | Crystal structure of the c-Abl kinase domain in complex with INNO-406 | Descriptor: | N-[3-(4,5'-BIPYRIMIDIN-2-YLAMINO)-4-METHYLPHENYL]-4-{[(3S)-3-(DIMETHYLAMINO)PYRROLIDIN-1-YL]METHYL}-3-(TRIFLUOROMETHYL) BENZAMIDE, Proto-oncogene tyrosine-protein kinase ABL1 | Authors: | Horio, T, Hamasaki, T, Wakayama, T, Takagaki, K, Ohgi, T. | Deposit date: | 2006-11-10 | Release date: | 2007-05-22 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural factors contributing to the Abl/Lyn dual inhibitory activity of 3-substituted benzamide derivatives Bioorg.Med.Chem.Lett., 17, 2007
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3VYF
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![BU of 3vyf by Molmil](/molmil-images/mine/3vyf) | Human renin in complex with inhibitor 9 | Descriptor: | (3S,5R)-5-[4-(2-chlorophenyl)-2,2-dimethyl-5-oxopiperazin-1-yl]-N-(2,6-dimethylheptan-4-yl)piperidine-3-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, Renin | Authors: | Takahashi, M, Hanzawa, H. | Deposit date: | 2012-09-24 | Release date: | 2012-12-19 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Design and discovery of new (3S,5R)-5-[4-(2-chlorophenyl)-2,2-dimethyl-5-oxopiperazin-1-yl]piperidine-3-carboxamides as potent renin inhibitors Bioorg.Med.Chem.Lett., 22, 2012
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3VYE
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![BU of 3vye by Molmil](/molmil-images/mine/3vye) | Human renin in complex with inhibitor 7 | Descriptor: | (3S,5R)-5-[4-(2-chlorophenyl)-2,2-dimethyl-5-oxopiperazin-1-yl]-N-(3-methylbutyl)piperidine-3-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, Renin | Authors: | Takahashi, M, Matsui, Y, Hanzawa, H. | Deposit date: | 2012-09-24 | Release date: | 2012-12-19 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Design and discovery of new (3S,5R)-5-[4-(2-chlorophenyl)-2,2-dimethyl-5-oxopiperazin-1-yl]piperidine-3-carboxamides as potent renin inhibitors Bioorg.Med.Chem.Lett., 22, 2012
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3VSX
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![BU of 3vsx by Molmil](/molmil-images/mine/3vsx) | Human renin in complex with compound 18 | Descriptor: | (2S,4S,5S)-5-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-6-[4-(2-chlorophenyl)-2,2-dimethyl-5-oxopiperazin-1-yl]-4-hydroxy-2-(propan-2-yl)hexanamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, Renin | Authors: | Takahashi, M, Hanzawa, H. | Deposit date: | 2012-05-11 | Release date: | 2012-07-25 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Design and optimization of novel (2S,4S,5S)-5-amino-6-(2,2-dimethyl-5-oxo-4-phenylpiperazin-1-yl)-4-hydroxy-2-isopropylhexanamides as renin inhibitors Bioorg.Med.Chem.Lett., 22, 2012
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2OBG
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![BU of 2obg by Molmil](/molmil-images/mine/2obg) | |
1YNR
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![BU of 1ynr by Molmil](/molmil-images/mine/1ynr) | Crystal structure of the cytochrome c-552 from Hydrogenobacter thermophilus at 2.0 resolution | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Cytochrome c-552, HEME C, ... | Authors: | Travaglini-Allocatelli, C, Gianni, S, Dubey, V.K, Borgia, A, Di Matteo, A, Bonivento, D, Cutruzzola, F, Bren, K.L, Brunori, M. | Deposit date: | 2005-01-25 | Release date: | 2005-05-17 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | An Obligatory Intermediate in the Folding Pathway of Cytochrome c552 from Hydrogenobacter thermophilus J.Biol.Chem., 280, 2005
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2DKV
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![BU of 2dkv by Molmil](/molmil-images/mine/2dkv) | Crystal structure of class I chitinase from Oryza sativa L. japonica | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, chitinase | Authors: | Kezuka, Y, Nishizawa, Y, Watanabe, T, Nonaka, T. | Deposit date: | 2006-04-14 | Release date: | 2007-05-01 | Last modified: | 2020-01-01 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure of full-length class I chitinase from rice revealed by X-ray crystallography and small-angle X-ray scattering. Proteins, 78, 2010
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3VYD
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![BU of 3vyd by Molmil](/molmil-images/mine/3vyd) | Human renin in complex with inhibitor 6 | Descriptor: | (3S,5R)-5-{[4-(2-chlorophenyl)-2,2-dimethyl-5-oxopiperazin-1-yl]methyl}-N-(3-methylbutyl)piperidine-3-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, Renin | Authors: | Takahashi, M, Hanzawa, H. | Deposit date: | 2012-09-24 | Release date: | 2012-12-19 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.81 Å) | Cite: | Design and discovery of new (3S,5R)-5-[4-(2-chlorophenyl)-2,2-dimethyl-5-oxopiperazin-1-yl]piperidine-3-carboxamides as potent renin inhibitors Bioorg.Med.Chem.Lett., 22, 2012
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3VSW
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![BU of 3vsw by Molmil](/molmil-images/mine/3vsw) | Human renin in complex with compound 8 | Descriptor: | (2S,4S,5S)-5-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-hydroxy-6-{4-[2-(3-methoxypropoxy)phenyl]-3-oxopiperazin-1-yl}-2-(propan-2-yl)hexanamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, Renin | Authors: | Takahashi, M, Hanzawa, H. | Deposit date: | 2012-05-11 | Release date: | 2012-07-25 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Design and optimization of novel (2S,4S,5S)-5-amino-6-(2,2-dimethyl-5-oxo-4-phenylpiperazin-1-yl)-4-hydroxy-2-isopropylhexanamides as renin inhibitors Bioorg.Med.Chem.Lett., 22, 2012
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2NAR
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![BU of 2nar by Molmil](/molmil-images/mine/2nar) | Solution structure of AVR3a_60-147 from Phytophthora infestans | Descriptor: | Effector protein Avr3a | Authors: | Matena, A, Bayer, P, Zhukov, I, Stanek, J, Kozminski, W, van West, P, Wawra, S. | Deposit date: | 2016-01-08 | Release date: | 2017-01-11 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | The RxLR Motif of the Host Targeting Effector AVR3a ofPhytophthora infestansIs Cleaved before Secretion. Plant Cell, 29, 2017
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1ZAG
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![BU of 1zag by Molmil](/molmil-images/mine/1zag) | HUMAN ZINC-ALPHA-2-GLYCOPROTEIN | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Chirino, A.J, Sanchez, L.M, Bjorkman, P.J. | Deposit date: | 1999-02-02 | Release date: | 1999-03-31 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Crystal structure of human ZAG, a fat-depleting factor related to MHC molecules. Science, 283, 1999
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1WR8
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![BU of 1wr8 by Molmil](/molmil-images/mine/1wr8) | |