8YXA
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![BU of 8yxa by Molmil](/molmil-images/mine/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: | 2024-09-04 | 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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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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5YOQ
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8JB7
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![BU of 8jb7 by Molmil](/molmil-images/mine/8jb7) | Crystal structure of CMY-185 | Descriptor: | Beta-lactamase, SULFATE ION | Authors: | Kawai, A, Doi, Y. | Deposit date: | 2023-05-08 | Release date: | 2023-12-13 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Structural insights into the molecular mechanism of high-level ceftazidime-avibactam resistance conferred by CMY-185. Mbio, 15, 2024
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8JB8
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![BU of 8jb8 by Molmil](/molmil-images/mine/8jb8) | Crystal structure of CMY-185 complex with ceftazidime | Descriptor: | ACYLATED CEFTAZIDIME, Beta-lactamase | Authors: | Kawai, A, Doi, Y. | Deposit date: | 2023-05-08 | Release date: | 2023-12-13 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural insights into the molecular mechanism of high-level ceftazidime-avibactam resistance conferred by CMY-185. Mbio, 15, 2024
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7X7X
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![BU of 7x7x by Molmil](/molmil-images/mine/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: | 2023-11-29 | 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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4ZBZ
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4ZBY
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4ZBX
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6LC8
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![BU of 6lc8 by Molmil](/molmil-images/mine/6lc8) | Crystal structure of AmpC Ent385 complex form with avibactam | Descriptor: | (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, 1,4-DIETHYLENE DIOXIDE, Beta-lactamase, ... | Authors: | Kawai, A, Doi, Y. | Deposit date: | 2019-11-18 | Release date: | 2020-04-22 | Last modified: | 2022-03-23 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structural Basis of Reduced Susceptibility to Ceftazidime-Avibactam and Cefiderocol inEnterobacter cloacaeDue to AmpC R2 Loop Deletion. Antimicrob.Agents Chemother., 64, 2020
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6LC9
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![BU of 6lc9 by Molmil](/molmil-images/mine/6lc9) | Crystal structure of AmpC Ent385 complex form with ceftazidime | Descriptor: | 1,4-DIETHYLENE DIOXIDE, ACYLATED CEFTAZIDIME, Beta-lactamase, ... | Authors: | Kawai, A, Doi, Y. | Deposit date: | 2019-11-18 | Release date: | 2020-04-22 | Last modified: | 2022-03-23 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Structural Basis of Reduced Susceptibility to Ceftazidime-Avibactam and Cefiderocol inEnterobacter cloacaeDue to AmpC R2 Loop Deletion. Antimicrob.Agents Chemother., 64, 2020
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6LC7
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![BU of 6lc7 by Molmil](/molmil-images/mine/6lc7) | Crystal structure of AmpC Ent385 free form | Descriptor: | 1,4-DIETHYLENE DIOXIDE, Beta-lactamase, GLYCEROL, ... | Authors: | Kawai, A, Doi, Y. | Deposit date: | 2019-11-18 | Release date: | 2020-04-22 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Structural Basis of Reduced Susceptibility to Ceftazidime-Avibactam and Cefiderocol inEnterobacter cloacaeDue to AmpC R2 Loop Deletion. Antimicrob.Agents Chemother., 64, 2020
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7EHF
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![BU of 7ehf by Molmil](/molmil-images/mine/7ehf) | Crystal structure of the aminoglycoside resistance methyltransferase NpmB1 | Descriptor: | 1,2-ETHANEDIOL, 16S rRNA methyltransferase, CHLORIDE ION, ... | Authors: | Kawai, A, Doi, Y. | Deposit date: | 2021-03-29 | Release date: | 2021-08-11 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Functional and Structural Characterization of Acquired 16S rRNA Methyltransferase NpmB1 Conferring Pan-Aminoglycoside Resistance. Antimicrob.Agents Chemother., 65, 2021
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3AIZ
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3AIX
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7VR9
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![BU of 7vr9 by Molmil](/molmil-images/mine/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: | 2023-11-29 | 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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7WKZ
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![BU of 7wkz by Molmil](/molmil-images/mine/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: | 2023-11-29 | 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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6A7P
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![BU of 6a7p by Molmil](/molmil-images/mine/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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7D6J
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![BU of 7d6j by Molmil](/molmil-images/mine/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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