6AXL
 
 | | Crystal structure of Fab317 complex | | 分子名称: | Fab317 heavy chain, Fab317 light chains, Peptide ACE-ASN-PRO-ASN-ALA-ASN-PRO-ASN-ALA-ASN-PRO-ASN-ALA-NH2 | | 著者 | Oyen, D, Wilson, I.A. | | 登録日 | 2017-09-07 | | 公開日 | 2017-11-22 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Structural basis for antibody recognition of the NANP repeats in Plasmodium falciparum circumsporozoite protein.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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6AVA
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6AXK
 | | Crystal structure of Fab311 complex | | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ACE-ASN-PRO-ASN-ALA-ASN-PRO-ASN-ALA-ASN-PRO-ASN, Fab311 heavy chain, ... | | 著者 | Oyen, D, Wilson, I.A. | | 登録日 | 2017-09-07 | | 公開日 | 2017-11-22 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (2.103 Å) | | 主引用文献 | Structural basis for antibody recognition of the NANP repeats in Plasmodium falciparum circumsporozoite protein.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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6ATW
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8AFR
 | | Pim1 in complex with 4-((6-hydroxybenzofuran-3-yl)methyl)benzoic acid and Pimtide | | 分子名称: | 4-((6-hydroxybenzofuran-3-yl)methyl)benzoic acid, Pimtide, Serine/threonine-protein kinase pim-1 | | 著者 | Hochban, P.M.M, Heine, A, Diederich, W.E. | | 登録日 | 2022-07-18 | | 公開日 | 2023-02-01 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | | 主引用文献 | Pose, duplicate, then elaborate: Steps towards increased affinity for inhibitors targeting the specificity surface of the Pim-1 kinase.
Eur.J.Med.Chem., 245, 2023
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8AI7
 | | Structure of carbamoylated human butyrylcholinesterase upon reaction with 3-(((2-cycloheptylethyl)(methyl)amino)methyl)-1H-indol-7-yl N,N-dimethylcarbamate | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, 3-[[2-cycloheptylethyl(methyl)amino]methyl]-1~{H}-indol-7-ol, ... | | 著者 | Brazzolotto, X, Meden, A, Knez, D, Gobec, S, Nachon, F. | | 登録日 | 2022-07-25 | | 公開日 | 2023-02-01 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.13 Å) | | 主引用文献 | Pseudo-irreversible butyrylcholinesterase inhibitors: Structure-activity relationships, computational and crystallographic study of the N-dialkyl O-arylcarbamate warhead.
Eur.J.Med.Chem., 247, 2023
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8AWZ
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6BGB
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8AX2
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6B1S
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8AX0
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8AX1
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6B4D
 | | Crystal structure of human carbonic anhydrase II in complex with a heteroaryl-pyrazole carboxylic acid derivative. | | 分子名称: | 3-(1-ethyl-1H-indol-3-yl)-1-methyl-1H-pyrazole-5-carboxylic acid, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... | | 著者 | Lomelino, C.L, Mahon, B.P, McKenna, R. | | 登録日 | 2017-09-26 | | 公開日 | 2018-02-07 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.196 Å) | | 主引用文献 | Exploring Heteroaryl-pyrazole Carboxylic Acids as Human Carbonic Anhydrase XII Inhibitors.
ACS Med Chem Lett, 8, 2017
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6B1Q
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6B1W
 | | Crystal structure KPC-2 beta-lactamase complexed with WCK 5107 by co-crystallization | | 分子名称: | (2S,5R)-1-formyl-N'-[(3R)-piperidine-3-carbonyl]-5-[(sulfooxy)amino]piperidine-2-carbohydrazide, CHLORIDE ION, Carbapenem-hydrolyzing beta-lactamase KPC, ... | | 著者 | van den Akker, F, Nguyen, N.Q. | | 登録日 | 2017-09-19 | | 公開日 | 2018-08-01 | | 実験手法 | X-RAY DIFFRACTION (1.73 Å) | | 主引用文献 | Strategic Approaches to Overcome Resistance against Gram-Negative Pathogens Using beta-Lactamase Inhibitors and beta-Lactam Enhancers: Activity of Three Novel Diazabicyclooctanes WCK 5153, Zidebactam (WCK 5107), and WCK 4234.
J. Med. Chem., 61, 2018
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6B22
 | | Crystal structure OXA-24 beta-lactamase complexed with WCK 4234 by co-crystallization | | 分子名称: | (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carbonitrile, Beta-lactamase, CHLORIDE ION | | 著者 | van den Akker, F, Nguyen, N.Q. | | 登録日 | 2017-09-19 | | 公開日 | 2018-08-01 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (1.93 Å) | | 主引用文献 | Strategic Approaches to Overcome Resistance against Gram-Negative Pathogens Using beta-Lactamase Inhibitors and beta-Lactam Enhancers: Activity of Three Novel Diazabicyclooctanes WCK 5153, Zidebactam (WCK 5107), and WCK 4234.
J. Med. Chem., 61, 2018
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7ZQ0
 | | Room temperature SSX structure of GH11 xylanase from Nectria haematococca (1000 frames) | | 分子名称: | Endo-1,4-beta-xylanase | | 著者 | Oberthuer, D, Andaleeb, H, Betzel, C, Perbandt, M, Yefanov, O, Zielinski, K. | | 登録日 | 2022-04-29 | | 公開日 | 2022-11-16 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Rapid and efficient room-temperature serial synchrotron crystallography using the CFEL TapeDrive.
Iucrj, 9, 2022
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7ZV5
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6B1Y
 | | Crystal structure KPC-2 beta-lactamase complexed with WCK 5153 by co-crystallization | | 分子名称: | (2S,5Z)-1-formyl-5-imino-N'-[(3R)-1-(sulfooxy)pyrrolidine-3-carbonyl]piperidine-2-carbohydrazide, CHLORIDE ION, Carbapenem-hydrolyzing beta-lactamase KPC, ... | | 著者 | van den Akker, F, Nguyen, N.Q. | | 登録日 | 2017-09-19 | | 公開日 | 2018-08-01 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Strategic Approaches to Overcome Resistance against Gram-Negative Pathogens Using beta-Lactamase Inhibitors and beta-Lactam Enhancers: Activity of Three Novel Diazabicyclooctanes WCK 5153, Zidebactam (WCK 5107), and WCK 4234.
J. Med. Chem., 61, 2018
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6BVU
 | | SFTI-HFRW-1 | | 分子名称: | Trypsin inhibitor 1 HFRW-1 | | 著者 | Schroeder, C.I. | | 登録日 | 2017-12-13 | | 公開日 | 2018-12-19 | | 最終更新日 | 2023-06-14 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Development of Novel Melanocortin Receptor Agonists Based on the Cyclic Peptide Framework of Sunflower Trypsin Inhibitor-1.
J.Med.Chem., 61, 2018
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3FL5
 | | Protein kinase CK2 in complex with the inhibitor Quinalizarin | | 分子名称: | 1,2,5,8-tetrahydroxyanthracene-9,10-dione, Casein kinase II subunit alpha, DI(HYDROXYETHYL)ETHER | | 著者 | Mazzorana, M, Franchin, C, Battistutta, R. | | 登録日 | 2008-12-18 | | 公開日 | 2009-08-18 | | 最終更新日 | 2017-11-01 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Quinalizarin as a potent, selective and cell-permeable inhibitor of protein kinase CK2
Biochem.J., 421, 2009
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6C17
 | | Crystal Structure of Ketosteroid Isomerase D40N mutant from Pseudomonas Putida (pKSI) bound to 3,4-dinitrophenol | | 分子名称: | 3,4-dinitrophenol, MAGNESIUM ION, Steroid Delta-isomerase | | 著者 | Yabukarski, F, Pinney, M, Herschlag, D. | | 登録日 | 2018-01-04 | | 公開日 | 2018-07-25 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.1 Å) | | 主引用文献 | Structural Coupling Throughout the Active Site Hydrogen Bond Networks of Ketosteroid Isomerase and Photoactive Yellow Protein.
J. Am. Chem. Soc., 140, 2018
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6C2T
 | | Aurora A ligand complex | | 分子名称: | (2S,4R)-1-[(3-chloro-2-fluorophenyl)methyl]-2-methyl-4-({3-[(1,3-thiazol-2-yl)amino]isoquinolin-1-yl}methyl)piperidine-4-carboxylic acid, Aurora kinase A, DIMETHYL SULFOXIDE, ... | | 著者 | Antonysamy, S, Pustilnik, A, Manglicmot, D, Froning, K, Weichert, K, Wasserman, S. | | 登録日 | 2018-01-08 | | 公開日 | 2019-01-23 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (1.73 Å) | | 主引用文献 | Aurora A Kinase Inhibition Is Synthetic Lethal with Loss of theRB1Tumor Suppressor Gene.
Cancer Discov, 9, 2019
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6C31
 | | Crystal structure of TetR family protein Rv0078 in complex with DNA | | 分子名称: | DNA (5'-D(*GP*TP*TP*AP*CP*CP*GP*GP*CP*AP*GP*TP*CP*TP*GP*CP*TP*TP*GP*TP*AP*AP*A)-3'), DNA (5'-D(P*AP*CP*AP*AP*GP*CP*AP*GP*AP*CP*TP*GP*CP*CP*GP*GP*TP*AP*AP*C)-3'), TetR family transcriptional regulator | | 著者 | Hsu, H.C, Li, H. | | 登録日 | 2018-01-09 | | 公開日 | 2018-07-04 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | Cytokinin Signaling in Mycobacterium tuberculosis.
MBio, 9, 2018
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8AIN
 | | MCUGI SAUNG complex | | 分子名称: | 1,2-ETHANEDIOL, MCUGI, SULFATE ION, ... | | 著者 | Muselmani, W, Savva, R. | | 登録日 | 2022-07-26 | | 公開日 | 2023-06-21 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | A Multimodal Approach towards Genomic Identification of Protein Inhibitors of Uracil-DNA Glycosylase.
Viruses, 15, 2023
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