1GEG
 
 | | CRYATAL STRUCTURE ANALYSIS OF MESO-2,3-BUTANEDIOL DEHYDROGENASE | | Descriptor: | ACETOIN REDUCTASE, BETA-MERCAPTOETHANOL, MAGNESIUM ION, ... | | Authors: | Otagiri, M, Kurisu, G, Ui, S, Kusunoki, M. | | Deposit date: | 2000-11-10 | | Release date: | 2001-02-28 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Crystal structure of meso-2,3-butanediol dehydrogenase in a complex with NAD+ and inhibitor mercaptoethanol at 1.7 A resolution for understanding of chiral substrate recognition mechanisms.
J.Biochem., 129, 2001
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3A28
 | | Crystal structure of L-2,3-butanediol dehydrogenase | | Descriptor: | BETA-MERCAPTOETHANOL, L-2.3-butanediol dehydrogenase, MAGNESIUM ION, ... | | Authors: | Otagiri, M, Kurisu, G, Ui, S, Kusunoki, M. | | Deposit date: | 2009-05-02 | | Release date: | 2009-12-15 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural basis for chiral substrate recognition by two 2,3-butanediol dehydrogenases
Febs Lett., 584, 2010
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7VR9
 | | Crystal structure of human serum albumin complex with aripiprazole and myristic acid | | Descriptor: | 7-[4-[4-[2,3-bis(chloranyl)phenyl]piperazin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one, MYRISTIC ACID, Serum albumin | | Authors: | Kawai, A, Yamasaki, K, Otagiri, M. | | Deposit date: | 2021-10-22 | | Release date: | 2022-02-16 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Effects of Myristate on the Induced Circular Dichroism Spectra of Aripiprazole Bound to Human Serum Albumin: A Structural-Chemical Investigation
Acs Omega, 7, 2022
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6A7P
 | | Human serum albumin complexed with aripiprazole | | Descriptor: | 7-[4-[4-[2,3-bis(chloranyl)phenyl]piperazin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one, PHOSPHATE ION, POTASSIUM ION, ... | | Authors: | Kawai, A, Yamasaki, K, Otagiri, M. | | Deposit date: | 2018-07-03 | | Release date: | 2018-10-24 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.28 Å) | | Cite: | Analysis of the Binding of Aripiprazole to Human Serum Albumin: The Importance of a Chloro-Group in the Chemical Structure.
Acs Omega, 3, 2018
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7X7X
 | | Human serum albumin complex with deschloro-aripiprazole | | Descriptor: | 7-[4-(4-phenylpiperazin-1-yl)butoxy]-3,4-dihydro-1H-quinolin-2-one, PHOSPHATE ION, Serum albumin | | Authors: | Kawai, A, Otagiri, M. | | Deposit date: | 2022-03-10 | | Release date: | 2022-09-07 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Chlorine Atoms of an Aripiprazole Molecule Control the Geometry and Motion of Aripiprazole and Deschloro-aripiprazole in Subdomain IIIA of Human Serum Albumin.
Acs Omega, 7, 2022
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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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5YOQ
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2BXA
 | | Human serum albumin complexed with 3-carboxy-4-methyl-5-propyl-2- furanpropanoic acid (CMPF) | | Descriptor: | 3-CARBOXY-4-METHYL-5-PROPYL-2-FURANPROPIONIC, SERUM ALBUMIN | | Authors: | Ghuman, J, Zunszain, P.A, Petitpas, I, Bhattacharya, A.A, Otagiri, M, Curry, S. | | Deposit date: | 2005-07-26 | | Release date: | 2005-09-22 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Structural Basis of the Drug-Binding Specificity of Human Serum Albumin.
J.Mol.Biol., 353, 2005
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3APV
 | | Crystal structure of the A variant of human alpha1-acid glycoprotein and amitriptyline complex | | Descriptor: | ACETIC ACID, Alpha-1-acid glycoprotein 2, Amitriptyline | | Authors: | Nishi, K, Ono, T, Nakamura, T, Fukunaga, N, Izumi, M, Watanabe, H, Suenaga, A, Maruyama, T, Yamagata, Y, Curry, S, Otagiri, M. | | Deposit date: | 2010-10-21 | | Release date: | 2011-02-23 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Structural insights into differences in drug-binding selectivity between two forms of human alpha1-acid glycoprotein genetic variants, the A and F1*S forms.
J. Biol. Chem., 286, 2011
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3APX
 | | Crystal structure of the A variant of human alpha1-acid glycoprotein and chlorpromazine complex | | Descriptor: | 3-(2-chloro-10H-phenothiazin-10-yl)-N,N-dimethylpropan-1-amine, ACETIC ACID, Alpha-1-acid glycoprotein 2 | | Authors: | Nishi, K, Ono, T, Nakamura, T, Fukunaga, N, Izumi, M, Watanabe, H, Suenaga, A, Maruyama, T, Yamagata, Y, Curry, S, Otagiri, M. | | Deposit date: | 2010-10-21 | | Release date: | 2011-02-23 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural insights into differences in drug-binding selectivity between two forms of human alpha1-acid glycoprotein genetic variants, the A and F1*S forms.
J. Biol. Chem., 286, 2011
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3APW
 | | Crystal structure of the A variant of human alpha1-acid glycoprotein and disopyramide complex | | Descriptor: | Alpha-1-acid glycoprotein 2, Disopyramide | | Authors: | Nishi, K, Ono, T, Nakamura, T, Fukunaga, N, Izumi, M, Watanabe, H, Suenaga, A, Maruyama, T, Yamagata, Y, Curry, S, Otagiri, M. | | Deposit date: | 2010-10-21 | | Release date: | 2011-02-23 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural insights into differences in drug-binding selectivity between two forms of human alpha1-acid glycoprotein genetic variants, the A and F1*S forms.
J. Biol. Chem., 286, 2011
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3APU
 | | Crystal structure of the A variant of human alpha1-acid glycoprotein | | Descriptor: | Alpha-1-acid glycoprotein 2, TETRAETHYLENE GLYCOL | | Authors: | Nishi, K, Ono, T, Nakamura, T, Fukunaga, N, Izumi, M, Watanabe, H, Suenaga, A, Maruyama, T, Yamagata, Y, Curry, S, Otagiri, M. | | Deposit date: | 2010-10-21 | | Release date: | 2011-02-23 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural insights into differences in drug-binding selectivity between two forms of human alpha1-acid glycoprotein genetic variants, the A and F1*S forms.
J. Biol. Chem., 286, 2011
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7D6J
 | | Human serum albumin complexed with benzbromarone | | Descriptor: | Serum albumin, [3,5-bis(bromanyl)-4-oxidanyl-phenyl]-(2-ethyl-1-benzofuran-3-yl)methanone | | Authors: | Kawai, A, Yamasaki, K. | | Deposit date: | 2020-09-30 | | Release date: | 2021-02-03 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (3.29 Å) | | Cite: | Interaction of Benzbromarone with Subdomains IIIA and IB/IIA on Human Serum Albumin as the Primary and Secondary Binding Regions.
Mol Pharm., 18, 2021
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2BXD
 | | Human serum albumin complexed with warfarin | | Descriptor: | R-WARFARIN, SERUM ALBUMIN | | Authors: | Ghuman, J, Zunszain, P.A, Petitpas, I, Bhattacharya, A.A, Curry, S. | | Deposit date: | 2005-07-26 | | Release date: | 2005-09-22 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (3.05 Å) | | Cite: | Structural Basis of the Drug-Binding Specificity of Human Serum Albumin.
J.Mol.Biol., 353, 2005
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3WDR
 | | Crystal structure of beta-mannanase from a symbiotic protist of the termite Reticulitermes speratus complexed with gluco-manno-oligosaccharide | | Descriptor: | BICARBONATE ION, Beta-mannanase, MAGNESIUM ION, ... | | Authors: | Tsukagoshi, H, Ishida, T, Touhara, K.K, Igarashi, K, Samejima, M, Fushinobu, S, Kitamoto, K, Arioka, M. | | Deposit date: | 2013-06-20 | | Release date: | 2014-03-05 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Structural and Biochemical Analyses of Glycoside Hydrolase Family 26 beta-Mannanase from a Symbiotic Protist of the Termite Reticulitermes speratus
J.Biol.Chem., 289, 2014
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3WDQ
 | | Crystal structure of beta-mannanase from a symbiotic protist of the termite Reticulitermes speratus | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-mannanase, MAGNESIUM ION, ... | | Authors: | Tsukagoshi, H, Ishida, T, Touhara, K.K, Igarashi, K, Samejima, M, Fushinobu, S, Kitamoto, K, Arioka, M. | | Deposit date: | 2013-06-20 | | Release date: | 2014-03-05 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Structural and Biochemical Analyses of Glycoside Hydrolase Family 26 beta-Mannanase from a Symbiotic Protist of the Termite Reticulitermes speratus
J.Biol.Chem., 289, 2014
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8YXA
 | | Crystal structure of the HSA complex with cefazolin and myristate | | Descriptor: | (6~{R},7~{R})-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-8-oxidanylidene-7-[2-(1,2,3,4-tetrazol-1-yl)ethanoylamino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, MYRISTIC ACID, Serum albumin | | Authors: | Kawai, A. | | Deposit date: | 2024-04-02 | | Release date: | 2024-08-07 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Interaction of Cephalosporins with Human Serum Albumin: A Structural Study.
J.Med.Chem., 67, 2024
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8YXB
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7WKZ
 | | Crystal structure of the HSA complex with mycophenolate and aripiprazole | | Descriptor: | 7-[4-[4-[2,3-bis(chloranyl)phenyl]piperazin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one, MYCOPHENOLIC ACID, Serum albumin | | Authors: | Kawai, A, Yamasaki, K. | | Deposit date: | 2022-01-12 | | Release date: | 2022-12-28 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.992 Å) | | Cite: | Structural Basis of the Change in the Interaction Between Mycophenolic Acid and Subdomain IIA of Human Serum Albumin During Renal Failure.
J.Med.Chem., 66, 2023
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2BX8
 | | Human serum albumin complexed with azapropazone | | Descriptor: | AZAPROPAZONE, SERUM ALBUMIN | | Authors: | Ghuman, J, Zunszain, P.A, Petitpas, I, Bhattacharya, A.A, Curry, S. | | Deposit date: | 2005-07-25 | | Release date: | 2005-09-22 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structural Basis of the Drug-Binding Specificity of Human Serum Albumin.
J.Mol.Biol., 353, 2005
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2BXF
 | | Human serum albumin complexed with diazepam | | Descriptor: | 7-CHLORO-1-METHYL-5-PHENYL-1,3-DIHYDRO-2H-1,4-BENZODIAZEPIN-2-ONE, SERUM ALBUMIN | | Authors: | Ghuman, J, Zunszain, P.A, Petitpas, I, Bhattacharya, A.A, Curry, S. | | Deposit date: | 2005-07-26 | | Release date: | 2005-09-22 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (2.95 Å) | | Cite: | Structural Basis of the Drug-Binding Specificity of Human Serum Albumin.
J.Mol.Biol., 353, 2005
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2BXP
 | | Human serum albumin complexed with myristate and phenylbutazone | | Descriptor: | 4-BUTYL-1,2-DIPHENYL-PYRAZOLIDINE-3,5-DIONE, MYRISTIC ACID, SERUM ALBUMIN | | Authors: | Ghuman, J, Zunszain, P.A, Petitpas, I, Bhattacharya, A.A, Curry, S. | | Deposit date: | 2005-07-26 | | Release date: | 2005-09-22 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural Basis of the Drug-Binding Specificity of Human Serum Albumin.
J.Mol.Biol., 353, 2005
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2BXH
 | | Human serum albumin complexed with indoxyl sulfate | | Descriptor: | 3-SULFOOXY-1H-INDOLE, SERUM ALBUMIN | | Authors: | Ghuman, J, Zunszain, P.A, Petitpas, I, Bhattacharya, A.A, Curry, S. | | Deposit date: | 2005-07-26 | | Release date: | 2005-09-22 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Structural Basis of the Drug-Binding Specificity of Human Serum Albumin.
J.Mol.Biol., 353, 2005
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2BXK
 | | Human serum albumin complexed with myristate, azapropazone and indomethacin | | Descriptor: | AZAPROPAZONE, INDOMETHACIN, MYRISTIC ACID, ... | | Authors: | Ghuman, J, Zunszain, P.A, Petitpas, I, Bhattacharya, A.A, Curry, S. | | Deposit date: | 2005-07-26 | | Release date: | 2005-09-22 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural Basis of the Drug-Binding Specificity of Human Serum Albumin.
J.Mol.Biol., 353, 2005
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2BXO
 | | Human serum albumin complexed with myristate and oxyphenbutazone | | Descriptor: | 4-BUTYL-1-(4-HYDROXYPHENYL)-2-PHENYLPYRAZOLIDINE-3,5-DIONE, MYRISTIC ACID, SERUM ALBUMIN | | Authors: | Ghuman, J, Zunszain, P.A, Petitpas, I, Bhattacharya, A.A, Curry, S. | | Deposit date: | 2005-07-26 | | Release date: | 2005-09-22 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structural Basis of the Drug-Binding Specificity of Human Serum Albumin.
J.Mol.Biol., 353, 2005
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