6IEQ
 
 | |
7UGN
 | |
5TA8
 | | Crystal structure of PLK1 in complex with a novel 5,6-dihydroimidazolo[1,5-f]pteridine inhibitor | | 分子名称: | 4-[(9-cyclopentyl-7,7-difluoro-5-methyl-6-oxo-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b][1,4]diazepin-2-yl)amino]-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide, Serine/threonine-protein kinase PLK1, ZINC ION | | 著者 | Skene, R.J, Hosfield, D.J. | | 登録日 | 2016-09-09 | | 公開日 | 2017-02-22 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Structure-based design and SAR development of 5,6-dihydroimidazolo[1,5-f]pteridine derivatives as novel Polo-like kinase-1 inhibitors.
Bioorg. Med. Chem. Lett., 27, 2017
|
|
1CRM
 | | STRUCTURE AND FUNCTION OF CARBONIC ANHYDRASES | | 分子名称: | CARBONIC ANHYDRASE I, CHLORIDE ION, HYDROSULFURIC ACID, ... | | 著者 | Yadava, V.S, Kannan, K.K. | | 登録日 | 1994-03-04 | | 公開日 | 1995-02-07 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Structure and Function of Carbonic Anhydrases
Biomolecular Structure, Conformation, Function and Evolution, 1, 1981
|
|
1NF0
 | | Triosephosphate Isomerase in Complex with DHAP | | 分子名称: | 1,3-DIHYDROXYACETONEPHOSPHATE, triosephosphate isomerase | | 著者 | Jogl, G, Rozovsky, S, McDermott, A.E, Tong, L. | | 登録日 | 2002-12-12 | | 公開日 | 2003-01-07 | | 最終更新日 | 2023-08-16 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Optimal alignment for enzymatic proton transfer: Structure of the
Michaelis complex of triosephosphate isomerase at 1.2-A resolution
Proc.Natl.Acad.Sci.USA, 100, 2003
|
|
4YTS
 | | Crystal structure of D-tagatose 3-epimerase C66S from Pseudomonas cichorii in complex with 1-deoxy 3-keto D-galactitol | | 分子名称: | 1-deoxy-D-xylo-hex-3-ulose, 1-deoxy-alpha-D-xylo-hex-3-ulofuranose, D-tagatose 3-epimerase, ... | | 著者 | Yoshida, H, Yoshihara, A, Ishii, T, Izumori, K, Kamitori, S. | | 登録日 | 2015-03-18 | | 公開日 | 2016-03-23 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.14 Å) | | 主引用文献 | X-ray structures of the Pseudomonas cichorii D-tagatose 3-epimerase mutant form C66S recognizing deoxy sugars as substrates
Appl. Microbiol. Biotechnol., 100, 2016
|
|
3IIC
 | |
5A7H
 | | Comparison of the structure and activity of glycosylated and aglycosylated Human Carboxylesterase 1 | | 分子名称: | IODIDE ION, LIVER CARBOXYLESTERASE 1 | | 著者 | Arena de Souza, V, Scott, D.J, Charlton, M, Walsh, M.A, Owen, R.J. | | 登録日 | 2015-07-04 | | 公開日 | 2016-01-13 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (2.01 Å) | | 主引用文献 | Comparison of the Structure and Activity of Glycosylated and Aglycosylated Human Carboxylesterase 1.
Plos One, 10, 2015
|
|
3MKE
 | | SHV-1 beta-lactamase complex with LP06 | | 分子名称: | 2-[(~{Z})-[1-(2-azanyl-1,3-thiazol-4-yl)-2-oxidanylidene-2-[[(6~{S})-4,4,6-trimethyl-1,3,2-dioxaborinan-2-yl]methylamino]ethylidene]amino]oxy-2-methyl-propanoic acid, Beta-lactamase SHV-1, CYCLOHEXYL-HEXYL-BETA-D-MALTOSIDE, ... | | 著者 | van den Akker, F, Ke, W. | | 登録日 | 2010-04-14 | | 公開日 | 2010-11-24 | | 最終更新日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | Novel Insights into the Mode of Inhibition of Class A SHV-1 {beta}-Lactamases Revealed by Boronic Acid Transition State Inhibitors.
Antimicrob.Agents Chemother., 55, 2011
|
|
1M0B
 | | HIV-1 protease in complex with an ethyleneamine inhibitor | | 分子名称: | GLYCEROL, N-{(3S)-3-[(tert-butoxycarbonyl)amino]-4-phenylbutyl}-L-phenylalanyl-L-alpha-glutamyl-L-phenylalaninamide, PROTEASE RETROPEPSIN | | 著者 | Petrokova, H, Hasek, J, Dohnalek, J. | | 登録日 | 2002-06-12 | | 公開日 | 2004-01-13 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | | 主引用文献 | Role of hydroxyl group and R/S configuration of isostere in binding properties of HIV-1 protease inhibitors
Eur.J.Biochem., 271, 2004
|
|
4OCK
 | | N-acetylhexosamine 1-phosphate kinase in complex with GlcNAc and AMPPNP | | 分子名称: | 2-acetamido-2-deoxy-alpha-D-glucopyranose, N-acetylhexosamine 1-phosphate kinase, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER | | 著者 | Li, T.L, Wang, K.C, Lyu, S.Y, Liu, Y.C, Chang, C.Y, Wu, C.J. | | 登録日 | 2014-01-09 | | 公開日 | 2014-05-14 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (1.72 Å) | | 主引用文献 | Insights into the binding specificity and catalytic mechanism of N-acetylhexosamine 1-phosphate kinases through multiple reaction complexes.
Acta Crystallogr.,Sect.D, 70, 2014
|
|
3IIT
 | | Factor XA in complex with a cis-1,2-diaminocyclohexane derivative | | 分子名称: | 7-chloro-N-[(1S,2R,4S)-4-(dimethylcarbamoyl)-2-{[(5-methyl-5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazol-2-yl)carbonyl]amino}cyclohexyl]isoquinoline-3-carboxamide, Activated factor Xa heavy chain, CALCIUM ION, ... | | 著者 | Suzuki, M. | | 登録日 | 2009-08-03 | | 公開日 | 2010-08-04 | | 最終更新日 | 2024-10-30 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Design, synthesis, and SAR of cis-1,2-diaminocyclohexane derivatives as potent factor Xa inhibitors. Part II: exploration of 6-6 fused rings as alternative S1 moieties.
Bioorg.Med.Chem., 17, 2009
|
|
6MG7
 | | Crystal structure of the RV144 C1-C2 specific antibody CH54 Fab in complex with HIV-1 CLADE A/E GP120 and M48U1 | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CH54 Fab heavy chain, CH54 Fab light chain, ... | | 著者 | Van, V, Tolbert, W.D, Pazgier, M. | | 登録日 | 2018-09-13 | | 公開日 | 2019-09-25 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (2.91 Å) | | 主引用文献 | Recognition Patterns of the C1/C2 Epitopes Involved in Fc-Mediated Response in HIV-1 Natural Infection and the RV114 Vaccine Trial.
Mbio, 11, 2020
|
|
1ML6
 | | Crystal Structure of mGSTA2-2 in Complex with the Glutathione Conjugate of Benzo[a]pyrene-7(R),8(S)-Diol-9(S),10(R)-Epoxide | | 分子名称: | 2-AMINO-4-[1-(CARBOXYMETHYL-CARBAMOYL)-2-(9-HYDROXY-7,8-DIOXO-7,8,9,10-TETRAHYDRO-BENZO[DEF]CHRYSEN-10-YLSULFANYL)-ETHYLCARBAMOYL]-BUTYRIC ACID, Glutathione S-Transferase GT41A, ISOPROPYL ALCOHOL | | 著者 | Gu, Y, Xiao, B, Wargo, H.L, Bucher, M.H, Singh, S.V, Ji, X. | | 登録日 | 2002-08-30 | | 公開日 | 2003-04-15 | | 最終更新日 | 2024-11-20 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Residues 207, 216, and 221 and the catalytic activity of mGSTA1-1 and mGSTA2-2 toward
benzo[a]pyrene-(7R,8S)-diol-(9S,10R)-epoxide
Biochemistry, 42, 2003
|
|
6U0N
 | |
4N3A
 | |
4O83
 | |
4GT6
 | |
7FE1
 | | Crystal structure of GH92 alpha-1,2-mannosidase from Enterococcus faecalis ATCC 10100 in complex with methyl alpha-1,2-C-mannobioside | | 分子名称: | 1,2-ETHANEDIOL, ACETIC ACID, Alpha-1,2-mannosidase, ... | | 著者 | Miyazaki, T, Alonso-Gil, S. | | 登録日 | 2021-07-19 | | 公開日 | 2022-02-02 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.72 Å) | | 主引用文献 | Unlocking the Hydrolytic Mechanism of GH92 alpha-1,2-Mannosidases: Computation Inspires the use of C-Glycosides as Michaelis Complex Mimics.
Chemistry, 28, 2022
|
|
4OCV
 | | N-acetylhexosamine 1-phosphate kinase_ATCC15697 in complex with GlcNAc and AMPPNP | | 分子名称: | 2-acetamido-2-deoxy-alpha-D-glucopyranose, N-acetylhexosamine 1-phosphate kinase, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | | 著者 | Li, T.L, Wang, K.C, Lyu, S.Y, Liu, Y.C, Chang, C.Y, Wu, C.J. | | 登録日 | 2014-01-09 | | 公開日 | 2014-05-14 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (1.472 Å) | | 主引用文献 | Insights into the binding specificity and catalytic mechanism of N-acetylhexosamine 1-phosphate kinases through multiple reaction complexes.
Acta Crystallogr.,Sect.D, 70, 2014
|
|
5ZGP
 | | Crystal structure of NDM-1 at pH6.2 (Bis-Tris) in complex with hydrolyzed ampicillin | | 分子名称: | (2R,4S)-2-[(R)-{[(2R)-2-amino-2-phenylacetyl]amino}(carboxy)methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | | 著者 | Zhang, H, Hao, Q. | | 登録日 | 2018-03-10 | | 公開日 | 2018-08-22 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.15 Å) | | 主引用文献 | Active-Site Conformational Fluctuations Promote the Enzymatic Activity of NDM-1.
Antimicrob. Agents Chemother., 62, 2018
|
|
7KER
 | | avibactam-CDD-1 45 minute complex | | 分子名称: | (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, (2S,5R)-7-oxo-6-(sulfooxy)-1,6-diazabicyclo[3.2.1]octane-2-carboxamide, (4S)-2-METHYL-2,4-PENTANEDIOL, ... | | 著者 | Smith, C.A, Vakulenko, S.B, Stewart, N.K, Toth, M. | | 登録日 | 2020-10-12 | | 公開日 | 2021-01-20 | | 最終更新日 | 2025-04-02 | | 実験手法 | X-RAY DIFFRACTION (1.93 Å) | | 主引用文献 | Inhibition of the Clostridioides difficile Class D beta-Lactamase CDD-1 by Avibactam.
Acs Infect Dis., 7, 2021
|
|
5AMO
 | | Structure of a mouse Olfactomedin-1 disulfide-linked dimer of the Olfactomedin domain and part of the coiled coil | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ... | | 著者 | Pronker, M.F, Bos, T.G.A.A, Sharp, T.H, Thies-Weesie, D.M, Janssen, B.J.C. | | 登録日 | 2015-03-11 | | 公開日 | 2015-04-29 | | 最終更新日 | 2024-11-13 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Olfactomedin-1 Has a V-Shaped Disulfide-Linked Tetrameric Structure.
J.Biol.Chem., 290, 2015
|
|
3H0S
 | |
4N3C
 | |
