8OMK
 
 | | hKHK-C in complex with ADP & fructose 1-phosphate | | Descriptor: | 1-O-phosphono-beta-D-fructofuranose, ADENOSINE-5'-DIPHOSPHATE, Ketohexokinase, ... | | Authors: | Ebenhoch, R, Pautsch, A. | | Deposit date: | 2023-03-31 | | Release date: | 2024-01-10 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.48 Å) | | Cite: | Discovery of BI-9787, a Potent Zwitterionic KHK-Inhibitor with Oral Bioavailability
To Be Published
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6LAB
 | | 169 bp nucleosome, harboring cohesive DNA termini, assembled with linker histone H1.0 | | Descriptor: | CALCIUM ION, CHLORIDE ION, DNA (169-MER), ... | | Authors: | Adhireksan, Z, Sharma, D, Bao, Q, Lee, P.L, Padavattan, S, Davey, C.A. | | Deposit date: | 2019-11-12 | | Release date: | 2021-02-17 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Engineering nucleosomes for generating diverse chromatin assemblies.
Nucleic Acids Res., 49, 2021
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6L2U
 | | Soluble methane monooxygenase reductase FAD-binding domain from Methylosinus sporium. | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, Methane monooxygenase | | Authors: | Park, J.H, Ha, S.C, Rao, Z, Yoo, H, Yoon, C, Kim, S.Y, Kim, D.S, Lee, S.J. | | Deposit date: | 2019-10-07 | | Release date: | 2021-03-03 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Elucidation of the electron transfer environment in the MMOR FAD-binding domain from Methylosinus sporium 5.
Dalton Trans, 50, 2021
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6LDF
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6LDE
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6LF9
 | | Crystal structure of pSLA-1*1301 complex with dodecapeptide RVEDVTNTAEYW | | Descriptor: | ARG-VAL-GLU-ASP-VAL-THR-ASN-THR-ALA-GLU-TYR-TRP, Beta-2-microglobulin, MHC class I antigen | | Authors: | Wei, X.H, Wang, S, Zhang, N.Z, Xia, C. | | Deposit date: | 2019-11-30 | | Release date: | 2021-03-17 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Peptidomes and Structures Illustrate How SLA-I Micropolymorphism Influences the Preference of Binding Peptide Length.
Front Immunol, 2022
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6LF8
 | | Crystal structure of pSLA-1*0401 complex with dodecapeptide RVEDVTNTAEYW | | Descriptor: | ARG-VAL-GLU-ASP-VAL-THR-ASN-THR-ALA-GLU-TYR-TRP, Beta-2-microglobulin, MHC class I antigen | | Authors: | Wei, X.H, Wang, S, Zhang, N.Z, Xia, C. | | Deposit date: | 2019-11-30 | | Release date: | 2021-03-03 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structure and Peptidomes of Swine MHC Class I with Long Peptides Reveal the Cross-Species Characteristics of the Novel N-Terminal Extension Presentation Mode.
J Immunol., 208, 2022
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3N4Z
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6LN3
 | | Crystal structure of adenylate kinase from an extremophilic archaeon Aeropyrum pernix with ATP and AMP | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ADENOSINE MONOPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ... | | Authors: | Shibanuma, Y, Nemoto, N, Yamamoto, N, Sampei, G, Kawai, G. | | Deposit date: | 2019-12-28 | | Release date: | 2020-04-22 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structure of adenylate kinase from an extremophilic archaeon Aeropyrum pernix with ATP and AMP.
J.Biochem., 168, 2020
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6LPK
 | | A2AR crystallized in EROCOC17+4, LCP-SFX at 293 K | | Descriptor: | 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol, Adenosine receptor A2a,Soluble cytochrome b562,Adenosine receptor A2a, CHOLESTEROL, ... | | Authors: | Ihara, K, Hato, M, Nakane, T, Yamashita, K, Kimura-Someya, T, Hosaka, T, Ishizuka-Katsura, Y, Tanaka, R, Tanaka, T, Sugahara, M, Hirata, K, Yamamoto, M, Nureki, O, Tono, K, Nango, E, Iwata, S, Shirouzu, M. | | Deposit date: | 2020-01-10 | | Release date: | 2020-11-25 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Isoprenoid-chained lipid EROCOC 17+4 : a new matrix for membrane protein crystallization and a crystal delivery medium in serial femtosecond crystallography.
Sci Rep, 10, 2020
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6LM0
 | | The crystal structure of cyanorhodopsin (CyR) N2098R from cyanobacteria Calothrix sp. NIES-2098 | | Descriptor: | DECANE, HEXANE, N-OCTANE, ... | | Authors: | Hosaka, T, Kimura-Someya, T, Shirouzu, M. | | Deposit date: | 2019-12-24 | | Release date: | 2020-10-21 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | A unique clade of light-driven proton-pumping rhodopsins evolved in the cyanobacterial lineage.
Sci Rep, 10, 2020
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6LNW
 | | Crystal structure of accessory secretory protein 1,2 and 3 in Streptococcus pneumoniae | | Descriptor: | Accessory secretory protein Asp1, Accessory secretory protein Asp2, Accessory secretory protein Asp3 | | Authors: | Guo, C, Feng, Z, Zuo, G. | | Deposit date: | 2020-01-02 | | Release date: | 2020-02-26 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Structural and functional insights into the Asp1/2/3 complex mediated secretion of pneumococcal serine-rich repeat protein PsrP.
Biochem.Biophys.Res.Commun., 524, 2020
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6LR3
 | | Structural and functional insights into macrophage migration inhibitory factor from Oncomelania hupensis, the intermediate host of Schistosoma japonicum | | Descriptor: | Macrophage migration inhibitory factor, SULFATE ION | | Authors: | Su, Z.M, Tian, X.Y, Li, H.J, Wei, Z.M, Chen, L.F, Ren, H.X, Peng, W.F, Tang, C.T. | | Deposit date: | 2020-01-15 | | Release date: | 2020-07-22 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.77 Å) | | Cite: | Structural and functional insights into macrophage migration inhibitory factor from Oncomelania hupensis, the intermediate host of Schistosoma japonicum.
Biochem.J., 477, 2020
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3QQH
 | | CDK2 in complex with inhibitor L2-2 | | Descriptor: | 1,2-ETHANEDIOL, 2-[4-amino-6-(phenylamino)-1,3,5-triazin-2-yl]-4-chlorophenol, Cyclin-dependent kinase 2, ... | | Authors: | Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E. | | Deposit date: | 2011-02-15 | | Release date: | 2012-08-08 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.87 Å) | | Cite: | Structure-guided optimization of novel CDK2 inhibitors discovered by high-throughput screening
To be Published
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6LZO
 | | Thermolysin with 1,10-phenanthroline | | Descriptor: | 1,10-PHENANTHROLINE, CALCIUM ION, Thermolysin | | Authors: | Nam, K.H. | | Deposit date: | 2020-02-19 | | Release date: | 2021-01-27 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural analysis of metal chelation of the metalloproteinase thermolysin by 1,10-phenanthroline.
J.Inorg.Biochem., 215, 2021
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6M11
 | | Crystal structure of Rnase L in complex with Sunitinib | | Descriptor: | 5'-O-MONOPHOSPHORYLADENYLYL(2'->5')ADENYLYL(2'->5')ADENOSINE, N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fluoro-2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbo xamide, PHOSPHATE ION, ... | | Authors: | Tang, J, Huang, H. | | Deposit date: | 2020-02-24 | | Release date: | 2020-09-02 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.46 Å) | | Cite: | Sunitinib inhibits RNase L by destabilizing its active dimer conformation.
Biochem.J., 477, 2020
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3QRT
 | | CDK2 in complex with inhibitor NSK-MC2-55 | | Descriptor: | (5R)-5-(2-methylbutan-2-yl)-N-(4-sulfamoylbenzyl)-4,5,6,7-tetrahydro-2H-indazole-3-carboxamide, 1,2-ETHANEDIOL, Cyclin-dependent kinase 2 | | Authors: | Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E. | | Deposit date: | 2011-02-18 | | Release date: | 2012-08-08 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Structure-guided optimization of novel CDK2 inhibitors discovered by high-throughput screening
To be Published
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6LTY
 | | DNA bound antitoxin HigA3 | | Descriptor: | DNA (5'-D(P*CP*CP*AP*CP*GP*AP*GP*AP*TP*AP*TP*AP*AP*CP*CP*TP*AP*GP*AP*G)-3'), DNA (5'-D(P*CP*TP*CP*TP*AP*GP*GP*TP*TP*AP*TP*AP*TP*CP*TP*CP*GP*TP*GP*G)-3'), Putative antitoxin HigA3 | | Authors: | Park, J.Y, Lee, B.J. | | Deposit date: | 2020-01-23 | | Release date: | 2020-07-15 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (3.28 Å) | | Cite: | Induced DNA bending by unique dimerization of HigA antitoxin.
Iucrj, 7, 2020
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3QQL
 | | CDK2 in complex with inhibitor L3 | | Descriptor: | (5R)-5-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carbohydrazide, Cyclin-dependent kinase 2 | | Authors: | Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E. | | Deposit date: | 2011-02-15 | | Release date: | 2012-08-08 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Structure-guided optimization of novel CDK2 inhibitors discovered by high-throughput screening
To be Published
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6LK3
 | | The Functional Characterization and Crystal Structure of Type II Peptidyl Carrier Protein ColA1a in Collismycins Biosynthesis | | Descriptor: | Putative free-standing acyl carrier protein | | Authors: | Ma, X.Y, Wang, G.Y, Liu, T, Chi, C.B, Zhang, Z.Y, Yang, D.H, Liu, W, Ma, M. | | Deposit date: | 2019-12-18 | | Release date: | 2020-10-28 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | The functional characterization and crystal structure of type II peptidyl carrier protein ColA1a in collismycins biosynthesis.
Chin.J.Chem., 38, 2020
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3QTR
 | | CDK2 in complex with inhibitor RC-1-148 | | Descriptor: | Cyclin-dependent kinase 2, [4-amino-2-(phenylamino)-1,3-thiazol-5-yl](phenyl)methanone | | Authors: | Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E. | | Deposit date: | 2011-02-23 | | Release date: | 2012-10-31 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Development of highly potent and selective diaminothiazole inhibitors of cyclin-dependent kinases.
J.Med.Chem., 56, 2013
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3QU0
 | | CDK2 in complex with inhibitor RC-2-38 | | Descriptor: | 1,2-ETHANEDIOL, 4-{[4-amino-5-(pyridin-3-ylcarbonyl)-1,3-thiazol-2-yl]amino}benzenesulfonamide, Cyclin-dependent kinase 2 | | Authors: | Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E. | | Deposit date: | 2011-02-23 | | Release date: | 2012-10-31 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Development of highly potent and selective diaminothiazole inhibitors of cyclin-dependent kinases.
J.Med.Chem., 56, 2013
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6LX2
 | | Potato D-enzyme complexed with CA26 | | Descriptor: | 4-alpha-glucanotransferase, chloroplastic/amyloplastic, 4-deoxy-alpha-D-glucopyranose-(1-4)-4-deoxy-alpha-D-glucopyranose-(1-4)-4-deoxy-alpha-D-glucopyranose-(1-4)-4-deoxy-alpha-D-glucopyranose-(1-4)-4-deoxy-alpha-D-glucopyranose-(1-4)-4-deoxy-alpha-D-glucopyranose-(1-4)-4-deoxy-alpha-D-glucopyranose-(1-4)-4-deoxy-alpha-D-glucopyranose-(1-4)-4-deoxy-alpha-D-glucopyranose-(1-4)-4-deoxy-alpha-D-glucopyranose-(1-4)-4-deoxy-alpha-D-glucopyranose, ... | | Authors: | Unno, H, Imamura, K. | | Deposit date: | 2020-02-10 | | Release date: | 2020-08-26 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Structural analysis and reaction mechanism of the disproportionating enzyme (D-enzyme) from potato.
Protein Sci., 29, 2020
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6M4C
 | | C. albicans actin interacting protein Aip5 | | Descriptor: | C. albicans actin interacting protein Aip5 | | Authors: | Loh, Z.Y, Gao, Y.G, Xie, Y, Miao, Y. | | Deposit date: | 2020-03-06 | | Release date: | 2020-08-26 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Orchestrated actin nucleation by the Candida albicans polarisome complex enables filamentous growth.
J.Biol.Chem., 295, 2020
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3QZQ
 | | Human enterovirus 71 3C protease mutant E71D in complex with rupintrivir | | Descriptor: | 3C protein, 4-{2-(4-FLUORO-BENZYL)-6-METHYL-5-[(5-METHYL-ISOXAZOLE-3-CARBONYL)-AMINO]-4-OXO-HEPTANOYLAMINO}-5-(2-OXO-PYRROLIDIN-3-YL)-PENTANOIC ACID ETHYL ESTER | | Authors: | Wang, J, Fan, T, Yao, X, Wu, Z, Guo, L, Lei, X, Wang, J, Wang, M, Jin, Q, Cui, S. | | Deposit date: | 2011-03-07 | | Release date: | 2011-08-10 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.7001 Å) | | Cite: | Crystal Structures of Enterovirus 71 3C Protease Complexed with Rupintrivir Reveal the Roles of Catalytically Important Residues.
J.Virol., 85, 2011
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