2WVT
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![BU of 2wvt by Molmil](/molmil-images/mine/2wvt) | Crystal structure of an alpha-L-fucosidase GH29 from Bacteroides thetaiotaomicron in complex with a novel iminosugar fucosidase inhibitor | Descriptor: | (2S,3R,5R,6S)-3,4,5-TRIHYDROXY-2,6-BIS(HYDROXYMETHYL)PIPERIDINIUM, ALPHA-L-FUCOSIDASE, GLYCEROL, ... | Authors: | Lammerts van Bueren, A, Ardevol, A, Fayers-Kerr, J, Luo, B, Zhang, Y, Sollogoub, M, Bleriot, Y, Rovira, C, Davies, G.J. | Deposit date: | 2009-10-20 | Release date: | 2010-02-02 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Analysis of the Reaction Coordinate of Alpha-L-Fucosidases: A Combined Structural and Quantum Mechanical Approach. J.Am.Chem.Soc., 132, 2010
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2WVV
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![BU of 2wvv by Molmil](/molmil-images/mine/2wvv) | Crystal structure of an alpha-L-fucosidase GH29 from Bacteroides thetaiotaomicron | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ALPHA-L-FUCOSIDASE, GLYCEROL, ... | Authors: | Lammerts van Bueren, A, Ardevol, A, Fayers-Kerr, J, Luo, B, Zhang, Y, Sollogoub, M, Bleriot, Y, Rovira, C, Davies, G.J. | Deposit date: | 2009-10-20 | Release date: | 2010-02-02 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | Analysis of the Reaction Coordinate of Alpha-L-Fucosidases: A Combined Structural and Quantum Mechanical Approach J.Am.Chem.Soc., 132, 2010
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4F6V
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![BU of 4f6v by Molmil](/molmil-images/mine/4f6v) | Crystal structure of dehydrosqualene synthase (crtm) from s. aureus complexed with bph-1034, mg2+ and fmp. | Descriptor: | (2E,6Z)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl dihydrogen phosphate, 2,4-dioxo-4-{[3-(3-phenoxyphenyl)propyl]amino}butanoic acid, Dehydrosqualene synthase, ... | Authors: | Lin, F.-Y, Zhang, Y, Liu, Y.-L, Oldfield, E. | Deposit date: | 2012-05-15 | Release date: | 2012-06-13 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | HIV-1 Integrase Inhibitor-Inspired Antibacterials Targeting Isoprenoid Biosynthesis. ACS Med Chem Lett, 3, 2012
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4F6X
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![BU of 4f6x by Molmil](/molmil-images/mine/4f6x) | Crystal structure of dehydrosqualene synthase (crtm) from s. aureus complexed with bph-1112 | Descriptor: | 1-[3-(hexyloxy)benzyl]-4-hydroxy-2-oxo-1,2-dihydropyridine-3-carboxylic acid, D(-)-TARTARIC ACID, Dehydrosqualene synthase, ... | Authors: | Lin, F.-Y, Zhang, Y, Liu, Y.-L, Oldfield, E. | Deposit date: | 2012-05-15 | Release date: | 2012-06-20 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | HIV-1 Integrase Inhibitor-Inspired Antibacterials Targeting Isoprenoid Biosynthesis. ACS Med Chem Lett, 3, 2012
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8WTZ
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![BU of 8wtz by Molmil](/molmil-images/mine/8wtz) | potassium outward rectifier channel SKOR | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, Potassium channel SKOR | Authors: | Gao, X, Sun, T, Lu, Y, Jia, Y, Xu, X, Zhang, Y, Fu, P, Yang, G. | Deposit date: | 2023-10-19 | Release date: | 2024-04-10 | Last modified: | 2024-06-26 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Structural changes in the conversion of an Arabidopsis outward-rectifying K + channel into an inward-rectifying channel. Plant Commun., 5, 2024
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8WUI
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![BU of 8wui by Molmil](/molmil-images/mine/8wui) | SKOR D312N L271P double mutation | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, Potassium channel SKOR | Authors: | Gao, X, Sun, T, Lu, Y, Jia, Y, Xu, X, Zhang, Y, Fu, P, Yang, G. | Deposit date: | 2023-10-20 | Release date: | 2024-04-10 | Last modified: | 2024-06-26 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Structural changes in the conversion of an Arabidopsis outward-rectifying K + channel into an inward-rectifying channel. Plant Commun., 5, 2024
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3NR9
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![BU of 3nr9 by Molmil](/molmil-images/mine/3nr9) | Structure of human CDC2-like kinase 2 (CLK2) | Descriptor: | (5Z)-5-(quinolin-6-ylmethylidene)-2-[(thiophen-2-ylmethyl)amino]-1,3-thiazol-4(5H)-one, Dual specificity protein kinase CLK2 | Authors: | Chaikuad, A, Savitsky, P, Krojer, T, Muniz, J.R.C, Filippakopoulos, P, Rellos, P, Keates, T, Fedorov, O, Pike, A.C.W, Eswaran, J, Berridge, G, Phillips, C, Zhang, Y, von Delft, F, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2010-06-30 | Release date: | 2010-08-25 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.89 Å) | Cite: | Structure of human CDC2-like kinase 2 (CLK2) To be Published
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3NPR
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![BU of 3npr by Molmil](/molmil-images/mine/3npr) | Crystal structure of the C(30) carotenoid dehydrosqualene synthase from S. aureus complexed with Presqualene diphosphate (PSPP) | Descriptor: | Dehydrosqualene synthase, MAGNESIUM ION, {(1R,2R,3R)-2-[(3E)-4,8-dimethylnona-3,7-dien-1-yl]-2-methyl-3-[(1E,5E)-2,6,10-trimethylundeca-1,5,9-trien-1-yl]cyclopropyl}methyl trihydrogen diphosphate | Authors: | Lin, F.-Y, Liu, C.-I, Liu, Y.-L, Wang, K, Zhang, Y, Oldfield, E. | Deposit date: | 2010-06-28 | Release date: | 2010-12-22 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Mechanism of action and inhibition of dehydrosqualene synthase. Proc.Natl.Acad.Sci.USA, 107, 2010
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3NRI
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![BU of 3nri by Molmil](/molmil-images/mine/3nri) | Crystal structure of the C(30) carotenoid dehydrosqualene synthase from S. aureus complexed with dehydrosqualene (DHS) | Descriptor: | (6E,10R,13S,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,11,13,14,18,22-octaene, Dehydrosqualene synthase | Authors: | Lin, F.-Y, Liu, C.-I, Liu, Y.-L, Wang, K, Zhang, Y, Oldfield, E. | Deposit date: | 2010-06-30 | Release date: | 2010-12-22 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Mechanism of action and inhibition of dehydrosqualene synthase. Proc.Natl.Acad.Sci.USA, 107, 2010
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6K3Z
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![BU of 6k3z by Molmil](/molmil-images/mine/6k3z) | Crystal structure of dCas9 in complex with sgRNA and DNA (TGA PAM) | Descriptor: | CRISPR-associated endonuclease Cas9, DNA (28-MER), DNA (5'-D(*AP*AP*AP*TP*GP*AP*TP*AP*TP*TP*G)-3'), ... | Authors: | Chen, W, Zhang, H, Zhang, Y, Wang, Y, Gan, J, Ji, Q. | Deposit date: | 2019-05-22 | Release date: | 2019-09-25 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Molecular basis for the PAM expansion and fidelity enhancement of an evolved Cas9 nuclease. Plos Biol., 17, 2019
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6K4P
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![BU of 6k4p by Molmil](/molmil-images/mine/6k4p) | Crystal structure of xCas9 in complex with sgRNA and DNA (TGG PAM) | Descriptor: | CRISPR-associated endonuclease Cas9/Csn1, DNA (28-MER), PHOSPHATE ION, ... | Authors: | Chen, W, Zhang, H, Zhang, Y, Wang, Y, Gan, J, Ji, Q. | Deposit date: | 2019-05-25 | Release date: | 2019-09-25 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Molecular basis for the PAM expansion and fidelity enhancement of an evolved Cas9 nuclease. Plos Biol., 17, 2019
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6K4U
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![BU of 6k4u by Molmil](/molmil-images/mine/6k4u) | Crystal structure of xCas9 in complex with sgRNA and DNA (TGA PAM) | Descriptor: | CRISPR-associated endonuclease Cas9, non-target DNA, sgRNA, ... | Authors: | Chen, W, Zhang, H, Zhang, Y, Wang, Y, Gan, J, Ji, Q. | Deposit date: | 2019-05-27 | Release date: | 2019-09-25 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Molecular basis for the PAM expansion and fidelity enhancement of an evolved Cas9 nuclease. Plos Biol., 17, 2019
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1BZL
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![BU of 1bzl by Molmil](/molmil-images/mine/1bzl) | CRYSTAL STRUCTURE OF TRYPANOSOMA CRUZI TRYPANOTHIONE REDUCTASE IN COMPLEX WITH TRYPANOTHIONE, AND THE STRUCTURE-BASED DISCOVERY OF NEW NATURAL PRODUCT INHIBITORS | Descriptor: | BIS(GAMMA-GLUTAMYL-CYSTEINYL-GLYCINYL)SPERMIDINE, FLAVIN-ADENINE DINUCLEOTIDE, TRYPANOTHIONE REDUCTASE (OXIDIZED FORM) | Authors: | Bond, C.S, Zhang, Y, Berriman, M, Cunningham, M, Fairlamb, A.H, Hunter, W.N. | Deposit date: | 1998-11-02 | Release date: | 1999-11-10 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal structure of Trypanosoma cruzi trypanothione reductase in complex with trypanothione, and the structure-based discovery of new natural product inhibitors. Structure Fold.Des., 7, 1999
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6K4S
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![BU of 6k4s by Molmil](/molmil-images/mine/6k4s) | Crystal structure of xCas9 in complex with sgRNA and DNA (TGC PAM) | Descriptor: | CRISPR-associated endonuclease Cas9/Csn1, non-targeted DNA, sgRNA, ... | Authors: | Chen, W, Zhang, H, Zhang, Y, Wang, Y, Gan, J, Ji, Q. | Deposit date: | 2019-05-26 | Release date: | 2019-09-25 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (3.01 Å) | Cite: | Molecular basis for the PAM expansion and fidelity enhancement of an evolved Cas9 nuclease. Plos Biol., 17, 2019
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6K57
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![BU of 6k57 by Molmil](/molmil-images/mine/6k57) | Crystal structure of dCas9 in complex with sgRNA and DNA (CGA PAM) | Descriptor: | CRISPR-associated endonuclease Cas9, non-target DNA, sgRNA, ... | Authors: | Chen, W, Zhang, H, Zhang, Y, Wang, Y, Gan, J, Ji, Q. | Deposit date: | 2019-05-28 | Release date: | 2019-09-25 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.98 Å) | Cite: | Molecular basis for the PAM expansion and fidelity enhancement of an evolved Cas9 nuclease. Plos Biol., 17, 2019
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6K4Q
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![BU of 6k4q by Molmil](/molmil-images/mine/6k4q) | Crystal structure of xCas9 in complex with sgRNA and DNA (CGG PAM) | Descriptor: | CRISPR-associated endonuclease Cas9/Csn1, DNA (28-MER), DNA (5'-D(*AP*AP*AP*CP*GP*GP*TP*AP*TP*TP*G)-3'), ... | Authors: | Chen, W, Zhang, H, Zhang, Y, Wang, Y, Gan, J, Ji, Q. | Deposit date: | 2019-05-26 | Release date: | 2019-09-25 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Molecular basis for the PAM expansion and fidelity enhancement of an evolved Cas9 nuclease. Plos Biol., 17, 2019
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6K61
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![BU of 6k61 by Molmil](/molmil-images/mine/6k61) | Cryo-EM structure of the tetrameric photosystem I from a heterocyst-forming cyanobacterium Anabaena sp. PCC7120 | Descriptor: | 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ... | Authors: | Zheng, L, Li, Y, Li, X, Zhong, Q, Li, N, Zhang, K, Zhang, Y, Chu, H, Ma, C, Li, G, Zhao, J, Gao, N. | Deposit date: | 2019-05-31 | Release date: | 2019-10-09 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (2.37 Å) | Cite: | Structural and functional insights into the tetrameric photosystem I from heterocyst-forming cyanobacteria. Nat.Plants, 5, 2019
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2MK6
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![BU of 2mk6 by Molmil](/molmil-images/mine/2mk6) | |
1AOG
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![BU of 1aog by Molmil](/molmil-images/mine/1aog) | |
3QH6
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![BU of 3qh6 by Molmil](/molmil-images/mine/3qh6) | 1.8A resolution structure of CT296 from Chlamydia trachomatis | Descriptor: | CT296, TETRAETHYLENE GLYCOL | Authors: | Kemege, K, Hickey, J, Lovell, S, Battaile, K.P, Zhang, Y, Hefty, P.S. | Deposit date: | 2011-01-25 | Release date: | 2011-10-05 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Ab initio structural modeling of and experimental validation for Chlamydia trachomatis protein CT296 reveal structural similarity to Fe(II) 2-oxoglutarate-dependent enzymes. J.Bacteriol., 193, 2011
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3QH7
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![BU of 3qh7 by Molmil](/molmil-images/mine/3qh7) | 2.5 A resolution structure of Se-Met labeled CT296 from Chlamydia trachomatis | Descriptor: | CT296 | Authors: | Kemege, K, Hickey, J, Lovell, S, Battaile, K.P, Zhang, Y, Hefty, P.S. | Deposit date: | 2011-01-25 | Release date: | 2011-10-05 | Last modified: | 2018-10-10 | Method: | X-RAY DIFFRACTION (2.497 Å) | Cite: | Ab initio structural modeling of and experimental validation for Chlamydia trachomatis protein CT296 reveal structural similarity to Fe(II) 2-oxoglutarate-dependent enzymes. J. Bacteriol., 193, 2011
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3RYW
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![BU of 3ryw by Molmil](/molmil-images/mine/3ryw) | Crystal structure of P. vivax geranylgeranyl diphosphate synthase complexed with BPH-811 | Descriptor: | Farnesyl pyrophosphate synthase, MAGNESIUM ION, SULFATE ION, ... | Authors: | No, J.H, Liu, Y.-L, Zhang, Y, Oldfield, E. | Deposit date: | 2011-05-11 | Release date: | 2012-05-23 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Lipophilic analogs of zoledronate and risedronate inhibit Plasmodium geranylgeranyl diphosphate synthase (GGPPS) and exhibit potent antimalarial activity. Proc.Natl.Acad.Sci.USA, 109, 2012
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3S2Y
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![BU of 3s2y by Molmil](/molmil-images/mine/3s2y) | Crystal structure of a chromate/uranium reductase from Gluconacetobacter hansenii | Descriptor: | CHLORIDE ION, Chromate reductase, FLAVIN MONONUCLEOTIDE, ... | Authors: | Jin, H, Zhang, Y, Buchko, G.W, Li, P, Squier, T.C, Robinson, H, Varnum, S.M, Long, P.E. | Deposit date: | 2011-05-17 | Release date: | 2012-05-30 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.244 Å) | Cite: | Structure Determination and Functional Analysis of a Chromate Reductase from Gluconacetobacter hansenii. Plos One, 7, 2012
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5Y1K
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![BU of 5y1k by Molmil](/molmil-images/mine/5y1k) | Crystal structure of Plasmodium falciparum aminopeptidase N in complex with (S)-2-(3-(2-chlorobenzyl)ureido)-N-hydroxy-4-methylpentanamide | Descriptor: | (2S)-2-[(2-chlorophenyl)methylcarbamoylamino]-4-methyl-N-oxidanyl-pentanamide, GLYCEROL, M1 family aminopeptidase, ... | Authors: | Marapaka, A.K, Zhang, Y, Addlagatta, A. | Deposit date: | 2017-07-20 | Release date: | 2018-08-01 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | Development of peptidomimetic hydroxamates as PfA-M1 and PfA-M17 dual inhibitors: Biological evaluation and structural characterization by cocrystallization Chin.Chem.Lett., 33, 2022
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8W9Z
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![BU of 8w9z by Molmil](/molmil-images/mine/8w9z) | The cryo-EM structure of the Nicotiana tabacum PEP-PAP | Descriptor: | DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta'', ... | Authors: | Wu, X.X, Zhang, Y. | Deposit date: | 2023-09-06 | Release date: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Cryo-EM structures of the plant plastid-encoded RNA polymerase. Cell, 187, 2024
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