3RJC
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![BU of 3rjc by Molmil](/molmil-images/mine/3rjc) | CDK2 in complex with inhibitor L4-12 | Descriptor: | Cyclin-dependent kinase 2, {4-amino-2-[(3-fluorophenyl)amino]-1,3-thiazol-5-yl}(phenyl)methanone | Authors: | Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E. | Deposit date: | 2011-04-15 | 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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3RJH
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![BU of 3rjh by Molmil](/molmil-images/mine/3rjh) | Ternary complex of DNA Polymerase Beta with a gapped DNA containing (syn)8odG:dA at primer terminus and dG:dCMP(CF2)PPin the active site | Descriptor: | 2'-deoxy-5'-O-[(S)-{difluoro[(S)-hydroxy(phosphonooxy)phosphoryl]methyl}(hydroxy)phosphoryl]cytidine, CHLORIDE ION, DNA (5'-D(*CP*CP*GP*AP*CP*GP*(8OG)P*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), ... | Authors: | Batra, V.K, Beard, W.A, Wilson, S.H. | Deposit date: | 2011-04-15 | Release date: | 2012-01-18 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Binary complex crystal structure of DNA polymerase beta reveals multiple conformations of the templating 8-oxoguanine lesion Proc.Natl.Acad.Sci.USA, 109, 2012
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6LPL
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![BU of 6lpl by Molmil](/molmil-images/mine/6lpl) | A2AR crystallized in EROCOC17+4, SS-ROX at 100 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: | 2020-01-11 | Release date: | 2020-11-25 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2 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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3R28
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![BU of 3r28 by Molmil](/molmil-images/mine/3r28) | CDK2 in complex with inhibitor KVR-1-140 | Descriptor: | 1,2-ETHANEDIOL, 4-chloro-5-nitro-2-[(3,4,5-trifluorobenzyl)amino]benzamide, Cyclin-dependent kinase 2 | Authors: | Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E. | Deposit date: | 2011-03-14 | 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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6MAS
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![BU of 6mas by Molmil](/molmil-images/mine/6mas) | X-ray Structure of Branchiostoma floridae fluorescent protein lanFP10G | Descriptor: | GLYCEROL, Uncharacterized protein | Authors: | Muslinkina, L, Pletneva, N, Pletnev, V, Pletnev, S. | Deposit date: | 2018-08-28 | Release date: | 2019-03-13 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Structural Factors Enabling Successful GFP-Like Proteins with Alanine as the Third Chromophore-Forming Residue. J. Mol. Biol., 431, 2019
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6MCX
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![BU of 6mcx by Molmil](/molmil-images/mine/6mcx) | INFLUENZA VIRUS NEURAMINIDASE SUBTYPE N9 (TERN) RECOMBINANT HEAD DOMAIN | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, GLYCEROL, ... | Authors: | Streltsov, V.A, Schmidt, P, McKimm-Breschkin, J. | Deposit date: | 2018-09-02 | Release date: | 2019-01-23 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure of an Influenza A virus N9 neuraminidase with a tetrabrachion-domain stalk. Acta Crystallogr.,Sect.F, 75, 2019
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6M13
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![BU of 6m13 by Molmil](/molmil-images/mine/6m13) | Crystal structure of Rnase L in complex with Toceranib | Descriptor: | 5-[(Z)-(5-fluoranyl-2-oxidanylidene-1H-indol-3-ylidene)methyl]-2,4-dimethyl-N-(2-pyrrolidin-1-ylethyl)-1H-pyrrole-3-carboxamide, PHOSPHATE ION, Ribonuclease L, ... | Authors: | Tang, J, Huang, H. | Deposit date: | 2020-02-24 | Release date: | 2020-09-02 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.56 Å) | Cite: | Sunitinib inhibits RNase L by destabilizing its active dimer conformation. Biochem.J., 477, 2020
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6M3Y
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![BU of 6m3y by Molmil](/molmil-images/mine/6m3y) | Crystal structure of pilus adhesin, SpaC from Lactobacillus rhamnosus GG - open conformation | Descriptor: | MAGNESIUM ION, Pilus assembly protein | Authors: | Kant, A, Palva, A, von Ossowski, I, Krishnan, V. | Deposit date: | 2020-03-04 | Release date: | 2020-07-29 | Last modified: | 2021-09-15 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Crystal structure of lactobacillar SpaC reveals an atypical five-domain pilus tip adhesin: Exposing its substrate-binding and assembly in SpaCBA pili. J.Struct.Biol., 211, 2020
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6LK6
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![BU of 6lk6 by Molmil](/molmil-images/mine/6lk6) | MLKL mutant - T357AS358A | Descriptor: | Mixed lineage kinase domain-like protein | Authors: | Wang, H, Li, S, Zhang, Y. | Deposit date: | 2019-12-18 | Release date: | 2020-12-23 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.41 Å) | Cite: | The MLKL kinase-like domain dimerization is an indispensable step of mammalian MLKL activation in necroptosis signaling. Cell Death Dis, 12, 2021
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6M6P
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![BU of 6m6p by Molmil](/molmil-images/mine/6m6p) | Structure of Marine bacterial laminarinase mutant E135A in complex with 1,3-beta-cellotriosyl-glucose | Descriptor: | CALCIUM ION, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-3)-alpha-D-glucopyranose, laminarinase | Authors: | Yang, J, Xu, Y, Tanokura, M, Long, L, Miyakawa, T. | Deposit date: | 2020-03-16 | Release date: | 2020-09-23 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.27 Å) | Cite: | Molecular Basis for Substrate Recognition and Catalysis by a Marine Bacterial Laminarinase. Appl.Environ.Microbiol., 86, 2020
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3SJI
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![BU of 3sji by Molmil](/molmil-images/mine/3sji) | crystal structure of CVA16 3C in complex with Rupintrivir (AG7088) | Descriptor: | 3C protease, 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, SODIUM ION | Authors: | Lu, G, Qi, J, Chen, Z, Xu, X, Gao, F, Lin, D, Qian, W, Liu, H, Jiang, H, Yan, J, Gao, G.F. | Deposit date: | 2011-06-21 | Release date: | 2011-08-10 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.798 Å) | Cite: | Enterovirus 71 and Coxsackievirus A16 3C Proteases: Binding to Rupintrivir and Their Substrates and Anti-Hand, Foot, and Mouth Disease Virus Drug Design. J.Virol., 85, 2011
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6NUP
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![BU of 6nup by Molmil](/molmil-images/mine/6nup) | |
3OKL
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![BU of 3okl by Molmil](/molmil-images/mine/3okl) | Crystal structure of S25-39 in complex with Kdo(2.8)Kdo | Descriptor: | 3-deoxy-alpha-D-manno-oct-2-ulopyranosonic acid-(2-8)-prop-2-en-1-yl 3-deoxy-alpha-D-manno-oct-2-ulopyranosidonic acid, S25-39 Fab (IgG1k) heavy chain, S25-39 Fab (IgG1k) light chain, ... | Authors: | Blackler, R.J, Evans, S.V. | Deposit date: | 2010-08-25 | Release date: | 2011-04-06 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | A Common NH53K Mutation in the Combining Site of Antibodies Raised against Chlamydial LPS Glycoconjugates Significantly Increases Avidity. Biochemistry, 50, 2011
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3TCN
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![BU of 3tcn by Molmil](/molmil-images/mine/3tcn) | Crystal structures of Peptidyl-tRNA hydrolase from Mycobacterium tuberculosis - Form 2 grown in presence of Pentaglycine | Descriptor: | Peptidyl-tRNA hydrolase | Authors: | Selvaraj, M, Ahmad, R, Varshney, U, Vijayan, M. | Deposit date: | 2011-08-09 | Release date: | 2012-02-15 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structures of new crystal forms of Mycobacterium tuberculosis peptidyl-tRNA hydrolase and functionally important plasticity of the molecule Acta Crystallogr.,Sect.F, 68, 2012
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6MP8
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![BU of 6mp8 by Molmil](/molmil-images/mine/6mp8) | X-ray crystal structure of VioC bound to Fe(II), D-arginine, and 2-oxoglutarate | Descriptor: | 2-OXOGLUTARIC ACID, Alpha-ketoglutarate-dependent L-arginine hydroxylase, D-ARGININE, ... | Authors: | Dunham, N.P, Boal, A.K. | Deposit date: | 2018-10-05 | Release date: | 2018-11-21 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | alpha-Amine Desaturation of d-Arginine by the Iron(II)- and 2-(Oxo)glutarate-Dependent l-Arginine 3-Hydroxylase, VioC. Biochemistry, 57, 2018
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3NCX
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6N96
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![BU of 6n96 by Molmil](/molmil-images/mine/6n96) | Methylmalonyl-CoA decarboxylase in complex with 2-sulfonate-propionyl-oxa(dethia)-CoA | Descriptor: | (2~{R})-1-[2-[3-[[(2~{R})-4-[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethoxy]-1-oxidanylidene-propane-2-sulfonic acid, (2~{S})-1-[2-[3-[[(2~{R})-4-[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethoxy]-1-oxidanylidene-propane-2-sulfonic acid, IMIDAZOLE, ... | Authors: | Stunkard, L.M, Dixon, A.D, Huth, T.J, Lohman, J.R. | Deposit date: | 2018-11-30 | Release date: | 2019-04-10 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Sulfonate/Nitro Bearing Methylmalonyl-Thioester Isosteres Applied to Methylmalonyl-CoA Decarboxylase Structure-Function Studies. J. Am. Chem. Soc., 141, 2019
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6N2A
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6MHK
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![BU of 6mhk by Molmil](/molmil-images/mine/6mhk) | |
6NTV
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![BU of 6ntv by Molmil](/molmil-images/mine/6ntv) | SFTSV L endonuclease domain | Descriptor: | RNA polymerase | Authors: | Wang, W, Amarasinghe, G.K. | Deposit date: | 2019-01-30 | Release date: | 2020-01-08 | Last modified: | 2020-07-22 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | The Cap-Snatching SFTSV Endonuclease Domain Is an Antiviral Target. Cell Rep, 30, 2020
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6NWH
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![BU of 6nwh by Molmil](/molmil-images/mine/6nwh) | Structures of the transcriptional regulator BgaR, a lactose sensor. | Descriptor: | CHLORIDE ION, MERCURY (II) ION, Transcriptional regulator BgaR, ... | Authors: | Peat, T.S, Newman, J. | Deposit date: | 2019-02-06 | Release date: | 2019-07-17 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | Structures of the transcriptional regulator BgaR, a lactose sensor. Acta Crystallogr D Struct Biol, 75, 2019
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6NZM
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![BU of 6nzm by Molmil](/molmil-images/mine/6nzm) | Brutons tyrosine kinase in complex with compound 50. | Descriptor: | 1,2-ETHANEDIOL, N-[2-fluoro-6-(pyrrolidin-1-yl)phenyl]-N'-{3-[(2R)-1-(2-hydroxyethyl)-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-2-yl]phenyl}urea, Tyrosine-protein kinase BTK | Authors: | Marcotte, D.J. | Deposit date: | 2019-02-14 | Release date: | 2019-06-12 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | Optimization of novel reversible Bruton's tyrosine kinase inhibitors identified using Tethering-fragment-based screens. Bioorg.Med.Chem., 27, 2019
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3NG6
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![BU of 3ng6 by Molmil](/molmil-images/mine/3ng6) | The crystal structure of hemoglobin I from Trematomus newnesi in deoxygenated state obtained through an oxidation/reduction cycle in which potassium hexacyanoferrate and sodium dithionite were alternatively added | Descriptor: | Hemoglobin subunit alpha-1, Hemoglobin subunit beta-1/2, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Vergara, A, Vitagliano, L, Merlino, A, Sica, F, Marino, K, Mazzarella, L. | Deposit date: | 2010-06-11 | Release date: | 2010-07-28 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | An order-disorder transition plays a role in switching off the root effect in fish hemoglobins. J.Biol.Chem., 285, 2010
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3THX
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![BU of 3thx by Molmil](/molmil-images/mine/3thx) | Human MutSbeta complexed with an IDL of 3 bases (Loop3) and ADP | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, DNA Loop3 minus strand, DNA Loop3 plus strand, ... | Authors: | Yang, W. | Deposit date: | 2011-08-19 | Release date: | 2011-12-21 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Mechanism of mismatch recognition revealed by human MutSbeta bound to unpaired DNA loops Nat.Struct.Mol.Biol., 19, 2012
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6MP9
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![BU of 6mp9 by Molmil](/molmil-images/mine/6mp9) | X-ray crystal structure of VioC bound to Fe(II), 2-oxo-5-guanidinopentanoic acid, and succinate | Descriptor: | 5-carbamimidamido-2-oxopentanoic acid, Alpha-ketoglutarate-dependent L-arginine hydroxylase, FE (II) ION, ... | Authors: | Dunham, N.P, Boal, A.K. | Deposit date: | 2018-10-05 | Release date: | 2018-11-21 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | alpha-Amine Desaturation of d-Arginine by the Iron(II)- and 2-(Oxo)glutarate-Dependent l-Arginine 3-Hydroxylase, VioC. Biochemistry, 57, 2018
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