4UFG
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![BU of 4ufg by Molmil](/molmil-images/mine/4ufg) | Thrombin in complex with (2R)-2-(benzylsulfonylamino)-N-((1S)-2-((4- carbamimidoylphenyl)methylamino)-1-methyl-2-oxo-ethyl)-N-methyl-3- phenyl-propanamide ethane | Descriptor: | (2S)-N-[(4-carbamimidoylphenyl)methyl]-2-[methyl-[(2R)-3-phenyl-2-[(phenylmethyl)sulfonylamino]propanoyl]amino]butanamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, HIRUDIN VARIANT-2, ... | Authors: | Ruehmann, E, Heine, A, Klebe, G. | Deposit date: | 2015-03-17 | Release date: | 2016-01-27 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Boosting Affinity by Correct Ligand Preorganization for the S2 Pocket of Thrombin: A Study by Isothermal Titration Calorimetry, Molecular Dynamics, and High-Resolution Crystal Structures. Chemmedchem, 11, 2016
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8HL8
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![BU of 8hl8 by Molmil](/molmil-images/mine/8hl8) | Crystal structrue of MtdL R257K mutant | Descriptor: | MANGANESE (II) ION, Transglycosylse | Authors: | Li, F.D, He, C. | Deposit date: | 2022-11-29 | Release date: | 2023-03-29 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structures of the NDP-pyranose mutase belonging to glycosyltransferase family 75 reveal residues important for Mn 2+ coordination and substrate binding. J.Biol.Chem., 299, 2023
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8HH0
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![BU of 8hh0 by Molmil](/molmil-images/mine/8hh0) | |
4ZXC
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![BU of 4zxc by Molmil](/molmil-images/mine/4zxc) | Crystal Structure of hydroquinone 1,2-dioxygenase PnpCD in complex with Fe3+ | Descriptor: | FE (III) ION, Hydroquinone dioxygenase large subunit, Hydroquinone dioxygenase small subunit | Authors: | Liu, S, Su, T, Zhang, C, Gu, L. | Deposit date: | 2015-05-20 | Release date: | 2015-09-02 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (3.05 Å) | Cite: | Crystal Structure of PnpCD, a Two-subunit Hydroquinone 1,2-Dioxygenase, Reveals a Novel Structural Class of Fe2+-dependent Dioxygenases. J.Biol.Chem., 290, 2015
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8HD6
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![BU of 8hd6 by Molmil](/molmil-images/mine/8hd6) | The relaxed pre-Tet-S1 state of G264A mutated Tetrahymena group I intron with 6nt 3'/5'-exon and 2-aminopurine nucleoside | Descriptor: | MAGNESIUM ION, SPERMIDINE, The relaxed pre-Tet-S1 state molecule of co-transcriptional folded G264A mutant Tetrahymena group I intron with 6nt 3'/5'-exon and 2-aminopurine nucleoside | Authors: | Luo, B, Zhang, C, Ling, X, Mukherjee, S, Jia, G, Xie, J, Jia, X, Liu, L, Baulin, E.F, Luo, Y, Jiang, L, Dong, H, Wei, X, Bujnicki, J.M, Su, Z. | Deposit date: | 2022-11-03 | Release date: | 2023-03-29 | Last modified: | 2024-07-03 | Method: | ELECTRON MICROSCOPY (3.73 Å) | Cite: | Cryo-EM reveals dynamics of Tetrahymena group I intron self-splicing Nat Catal, 2023
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8HCT
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![BU of 8hct by Molmil](/molmil-images/mine/8hct) | Crystal structure of Cu2+ binding to Dendrorhynchus zhejiangensis ferritin | Descriptor: | COPPER (II) ION, FE (III) ION, Ferritin, ... | Authors: | Ming, T.H, Su, X.R, Huo, C.H. | Deposit date: | 2022-11-03 | Release date: | 2023-03-29 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.26 Å) | Cite: | Structural and Biochemical Characterization of Silver/Copper Binding by Dendrorhynchus zhejiangensis Ferritin. Polymers (Basel), 15, 2023
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4ZXS
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![BU of 4zxs by Molmil](/molmil-images/mine/4zxs) | HSV-1 nuclear egress complex | Descriptor: | CHLORIDE ION, NICKEL (II) ION, SODIUM ION, ... | Authors: | Bigalke, J.M, Heldwein, E.E. | Deposit date: | 2015-05-20 | Release date: | 2015-11-11 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.772 Å) | Cite: | Structural basis of membrane budding by the nuclear egress complex of herpesviruses. Embo J., 34, 2015
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8HD7
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![BU of 8hd7 by Molmil](/molmil-images/mine/8hd7) | The intermediate pre-Tet-S1 state of G264A mutated Tetrahymena group I intron with 6nt 3'/5'-exon and 2-aminopurine nucleoside | Descriptor: | MAGNESIUM ION, SPERMIDINE, The intermediate pre-Tet-S1 state molecule of co-transcriptional folded G264A mutant Tetrahymena group I intron with 6nt 3'/5'-exon and 2-aminopurine nucleoside | Authors: | Luo, B, Zhang, C, Ling, X, Mukherjee, S, Jia, G, Xie, J, Jia, X, Liu, L, Baulin, E.F, Luo, Y, Jiang, L, Dong, H, Wei, X, Bujnicki, J.M, Su, Z. | Deposit date: | 2022-11-03 | Release date: | 2023-03-29 | Last modified: | 2024-07-03 | Method: | ELECTRON MICROSCOPY (3.52 Å) | Cite: | Cryo-EM reveals dynamics of Tetrahymena group I intron self-splicing Nat Catal, 2023
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4ZTA
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![BU of 4zta by Molmil](/molmil-images/mine/4zta) | |
4ZY7
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![BU of 4zy7 by Molmil](/molmil-images/mine/4zy7) | |
8HFR
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![BU of 8hfr by Molmil](/molmil-images/mine/8hfr) | NPC-trapped pre-60S particle | Descriptor: | 25S ribosomal RNA, 5.8S ribosomal RNA, 5S ribosomal RNA, ... | Authors: | Li, Z.Q, Chen, S.J, Sui, S.F. | Deposit date: | 2022-11-12 | Release date: | 2023-04-12 | Last modified: | 2023-06-28 | Method: | ELECTRON MICROSCOPY (2.64 Å) | Cite: | Nuclear export of pre-60S particles through the nuclear pore complex. Nature, 618, 2023
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8HNZ
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![BU of 8hnz by Molmil](/molmil-images/mine/8hnz) | Crystal structure of cytochrome P450 NasF5053 mutant E73S complexed with 6FCWP | Descriptor: | (3~{S},8~{a}~{S})-3-[(5-fluoranyl-1~{H}-indol-3-yl)methyl]-2,3,6,7,8,8~{a}-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione, CALCIUM ION, Cytochrome P450-F5053, ... | Authors: | Ma, B.D, Tian, W, Qu, X, Kong, X.D. | Deposit date: | 2022-12-09 | Release date: | 2023-04-19 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Engineering the Substrate Specificity of a P450 Dimerase Enables the Collective Biosynthesis of Heterodimeric Tryptophan-Containing Diketopiperazines. Angew.Chem.Int.Ed.Engl., 62, 2023
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8HTA
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![BU of 8hta by Molmil](/molmil-images/mine/8hta) | |
8GY0
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![BU of 8gy0 by Molmil](/molmil-images/mine/8gy0) | Agrocybe pediades linalool sunthase (Ap.LS) | Descriptor: | Terpene synthase | Authors: | Rehka, T, Sharma, D, Lin, F, Lim, C, Choong, Y.K, Chacko, J, Zhang, C. | Deposit date: | 2022-09-21 | Release date: | 2023-04-12 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.988 Å) | Cite: | Structural Understanding of Fungal Terpene Synthases for the Formation of Linear or Cyclic Terpene Products. Acs Catalysis, 13, 2023
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4ZUA
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![BU of 4zua by Molmil](/molmil-images/mine/4zua) | Crystal structure of the ExsA regulatory domain | Descriptor: | Exoenzyme S synthesis regulatory protein ExsA | Authors: | Schubot, F.D. | Deposit date: | 2015-05-15 | Release date: | 2016-02-03 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural Analysis of the Regulatory Domain of ExsA, a Key Transcriptional Regulator of the Type Three Secretion System in Pseudomonas aeruginosa. Plos One, 10, 2015
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4ZZH
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![BU of 4zzh by Molmil](/molmil-images/mine/4zzh) | SIRT1/Activator Complex | Descriptor: | (4S)-N-[3-(1,3-oxazol-5-yl)phenyl]-7-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1,4-methanopyrido[2,3-b][1,4]diazepine-5(2H)-carboxamide, NAD-dependent protein deacetylase sirtuin-1, ZINC ION | Authors: | Dai, H. | Deposit date: | 2015-05-22 | Release date: | 2015-07-15 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (3.1001 Å) | Cite: | Crystallographic structure of a small molecule SIRT1 activator-enzyme complex. Nat Commun, 6, 2015
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8HBE
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5A1Y
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![BU of 5a1y by Molmil](/molmil-images/mine/5a1y) | The structure of the COPI coat linkage IV | Descriptor: | ADP-RIBOSYLATION FACTOR 1, COATOMER SUBUNIT ALPHA, COATOMER SUBUNIT BETA, ... | Authors: | Dodonova, S.O, Diestelkoetter-Bachert, P, von Appen, A, Hagen, W.J.H, Beck, R, Beck, M, Wieland, F, Briggs, J.A.G. | Deposit date: | 2015-05-06 | Release date: | 2015-07-08 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (21 Å) | Cite: | Vesicular Transport. A Structure of the Copi Coat and the Role of Coat Proteins in Membrane Vesicle Assembly. Science, 349, 2015
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8GYN
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![BU of 8gyn by Molmil](/molmil-images/mine/8gyn) | zebrafish TIPE1 strucutre in complex with PE | Descriptor: | Tumor necrosis factor alpha-induced protein 8-like protein 1, [(2~{R})-1-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-3-hexadecanoyloxy-propan-2-yl] (~{Z})-octadec-9-enoate | Authors: | Wang, W, Cao, S.J. | Deposit date: | 2022-09-23 | Release date: | 2023-04-19 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.38 Å) | Cite: | Structural insight into TIPE1 functioning as a lipid transfer protein. J.Biomol.Struct.Dyn., 41, 2023
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4ZW2
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![BU of 4zw2 by Molmil](/molmil-images/mine/4zw2) | |
8HO0
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![BU of 8ho0 by Molmil](/molmil-images/mine/8ho0) | Crystal structure of cytochrome P450 NasF5053 mutant E73S complexed with 8FCWP | Descriptor: | (3~{S},8~{a}~{S})-3-[(7-fluoranyl-1~{H}-indol-3-yl)methyl]-2,3,6,7,8,8~{a}-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione, CALCIUM ION, Cytochrome P450-F5053, ... | Authors: | Ma, B.D, Tian, W, Qu, X, Kong, X.D. | Deposit date: | 2022-12-09 | Release date: | 2023-04-19 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.71 Å) | Cite: | Engineering the Substrate Specificity of a P450 Dimerase Enables the Collective Biosynthesis of Heterodimeric Tryptophan-Containing Diketopiperazines. Angew.Chem.Int.Ed.Engl., 62, 2023
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8HEF
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![BU of 8hef by Molmil](/molmil-images/mine/8hef) | The Crystal structure of deuterated S-217622 (Ensitrelvir) bound to the main protease (3CLpro/Mpro) of SARS-CoV-2 | Descriptor: | 3C-like proteinase, 6-[(6-chloranyl-2-methyl-indazol-5-yl)amino]-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-[[2,4,5-tris(fluoranyl)phenyl]methyl]-1,3,5-triazine-2,4-dione, GLYCEROL | Authors: | Yan, M, Zhang, H. | Deposit date: | 2022-11-08 | Release date: | 2023-04-19 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.51 Å) | Cite: | Synthesis of deuterated S-217622 (Ensitrelvir) with antiviral activity against coronaviruses including SARS-CoV-2. Antiviral Res., 213, 2023
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8HIF
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![BU of 8hif by Molmil](/molmil-images/mine/8hif) | One asymmetric unit of Singapore grouper iridovirus capsid | Descriptor: | Major capsid protein, Penton protein (VP14), VP137, ... | Authors: | Zhao, Z.N, Liu, C.C, Zhu, D.J, Qi, J.X, Zhang, X.Z, Gao, G.F. | Deposit date: | 2022-11-20 | Release date: | 2023-04-19 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Near-atomic architecture of Singapore grouper iridovirus and implications for giant virus assembly. Nat Commun, 14, 2023
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8H7Y
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![BU of 8h7y by Molmil](/molmil-images/mine/8h7y) | Trans-3/4-proline-hydroxylase H11 with AKG and L-proline | Descriptor: | 2-OXOGLUTARIC ACID, FE (III) ION, PROLINE, ... | Authors: | Gong, W.M, Hu, X.Y. | Deposit date: | 2022-10-21 | Release date: | 2023-04-19 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.14 Å) | Cite: | Structures of L-proline trans-hydroxylase reveal the catalytic specificity and provide deeper insight into AKG-dependent hydroxylation. Acta Crystallogr D Struct Biol, 79, 2023
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4KR3
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![BU of 4kr3 by Molmil](/molmil-images/mine/4kr3) | Glycyl-tRNA synthetase mutant E71G in complex with tRNA-Gly | Descriptor: | GLYCINE, Gly-tRNA-CCC, Glycine--tRNA ligase, ... | Authors: | Qin, X, Hao, Z, Tian, Q, Zhang, Z, Zhou, C, Xie, W. | Deposit date: | 2013-05-16 | Release date: | 2014-05-21 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (3.235 Å) | Cite: | Cocrystal Structures of Glycyl-tRNA Synthetase in Complex with tRNA Suggest Multiple Conformational States in Glycylation J.Biol.Chem., 289, 2014
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