5IMI
 
 | | Crystal structure of S303A Aspergillus terreus aristolochene synthase complexed with (1S,8S,9aR)-1,9a-dimethyl-8-(prop-1-en-2-yl)decahydroquinolizin-5-ium | | Descriptor: | (1S,5S,8S,9aR)-1,9a-dimethyl-8-(prop-1-en-2-yl)octahydro-2H-quinolizinium, Aristolochene synthase, GLYCEROL, ... | | Authors: | Chen, M, Christianson, D.W. | | Deposit date: | 2016-03-06 | | Release date: | 2016-05-25 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.462 Å) | | Cite: | Probing the Role of Active Site Water in the Sesquiterpene Cyclization Reaction Catalyzed by Aristolochene Synthase.
Biochemistry, 55, 2016
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2Z52
 | | S. cerevisiae geranylgeranyl pyrophosphate synthase in complex with magnesium and BPH-23 | | Descriptor: | (1-HYDROXYDODECANE-1,1-DIYL)BIS(PHOSPHONIC ACID), Geranylgeranyl pyrophosphate synthetase, MAGNESIUM ION | | Authors: | Guo, R.T, Chen, C.K.-M, Hudock, M, Cao, R, Oldfield, E, Wang, A.H.-J. | | Deposit date: | 2007-06-26 | | Release date: | 2008-07-01 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.13 Å) | | Cite: | Inhibition of geranylgeranyl diphosphate synthase by bisphosphonates: a crystallographic and computational investigation
J.Med.Chem., 51, 2008
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1IRB
 | | CARBOXYLIC ESTER HYDROLASE | | Descriptor: | CALCIUM ION, PHOSPHOLIPASE A2 | | Authors: | Sundaralingam, M. | | Deposit date: | 1997-08-13 | | Release date: | 1997-12-24 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Phospholipase A2 engineering. Deletion of the C-terminus segment changes substrate specificity and uncouples calcium and substrate binding at the zwitterionic interface.
Biochemistry, 35, 1996
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5EX3
 | | Crystal structure of human SMYD3 in complex with a VEGFR1 peptide | | Descriptor: | ACETIC ACID, Histone-lysine N-methyltransferase SMYD3, S-ADENOSYL-L-HOMOCYSTEINE, ... | | Authors: | Qiao, Q, Fu, W, Liu, N, Wang, M, Min, J, Zhu, B, Xu, R.M, Yang, N. | | Deposit date: | 2015-11-23 | | Release date: | 2016-03-09 | | Last modified: | 2017-10-18 | | Method: | X-RAY DIFFRACTION (2.408 Å) | | Cite: | Structural Basis for Substrate Preference of SMYD3, a SET Domain-containing Protein Lysine Methyltransferase
J.Biol.Chem., 291, 2016
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5EVE
 | | Crystal structure of Amb a 8 in complex with poly-Pro10 | | Descriptor: | Poly-Proline peptide, Profilin | | Authors: | Offermann, L.R, Schlachter, C.R, Garrett, J, Chruszcz, M. | | Deposit date: | 2015-11-19 | | Release date: | 2016-06-08 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Structural, Functional, and Immunological Characterization of Profilin Panallergens Amb a 8, Art v 4, and Bet v 2.
J.Biol.Chem., 291, 2016
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7JM5
 | | Crystal structure of KDM4B in complex with QC6352 | | Descriptor: | 3-[({(1R)-6-[methyl(phenyl)amino]-1,2,3,4-tetrahydronaphthalen-1-yl}methyl)amino]pyridine-4-carboxylic acid, Lysine-specific demethylase 4B, NICKEL (II) ION, ... | | Authors: | White, S.W, Yun, M. | | Deposit date: | 2020-07-31 | | Release date: | 2022-02-02 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Targeting KDM4 for treating PAX3-FOXO1-driven alveolar rhabdomyosarcoma.
Sci Transl Med, 14, 2022
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7PVF
 | | Crystal structure of the C-terminal catalytic domain of Plasmodium falciparum CTP:phosphocholine cytidylyltransferase with 3-hydroxy-1lambda6-thietane-1,1-dione | | Descriptor: | 1,1-bis(oxidanylidene)thietan-3-ol, Cholinephosphate cytidylyltransferase, Guanidinium | | Authors: | Duclovel, C, Gelin, M, Krimm, I, Cerdan, R, Guichou, J.-F. | | Deposit date: | 2021-10-02 | | Release date: | 2022-10-05 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.33 Å) | | Cite: | Crystallographic screening using ultra-low-molecular-weight ligands to guide drug design of PfCCT inhibitors
To Be Published
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2JW1
 | | Structural characterization of the type III pilotin-secretin interaction in Shigella flexneri by NMR spectroscopy | | Descriptor: | Lipoprotein mxiM, Outer membrane protein mxiD | | Authors: | Okon, M.S, Lario, P.I, Creagh, L, Jung, Y.M.T, Maurelli, A.T, Strynadka, N.C.J, McIntosh, L.P. | | Deposit date: | 2007-10-02 | | Release date: | 2008-09-02 | | Last modified: | 2020-02-19 | | Method: | SOLUTION NMR | | Cite: | Structural Characterization of the Type-III Pilot-Secretin Complex from Shigella flexneri
Structure, 16, 2008
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5EWA
 | | Crystal structure of the metallo-beta-lactamase IMP-1 in complex with the bisthiazolidine inhibitor L-VC26 | | Descriptor: | (3~{R},5~{R},7~{a}~{S})-2,2-dimethyl-5-(sulfanylmethyl)-3,5,7,7~{a}-tetrahydro-[1,3]thiazolo[4,3-b][1,3]thiazole-3-carboxylic acid, 1,2-ETHANEDIOL, Beta-lactamase IMP-1, ... | | Authors: | Kosmopoulou, M, Hinchliffe, P, Spencer, J. | | Deposit date: | 2015-11-20 | | Release date: | 2016-06-01 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Cross-class metallo-beta-lactamase inhibition by bisthiazolidines reveals multiple binding modes.
Proc.Natl.Acad.Sci.USA, 113, 2016
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7PLR
 | | Crystal structure of the N-terminal endonuclease domain of La Crosse virus L-protein bound to compound Baloxavir | | Descriptor: | Baloxavir acid, FORMIC ACID, GLYCEROL, ... | | Authors: | Feracci, M, Hernandez, S, Vincentelli, R, Ferron, F, Reguera, J, Canard, B, Alvarez, K. | | Deposit date: | 2021-09-01 | | Release date: | 2022-09-14 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.64 Å) | | Cite: | Crystal structure of the N-terminal endonuclease domain of La Crosse virus L-protein bound to compound Baloxavir
To Be Published
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5IP7
 | | Structure of RNA Polymerase II-Tfg1 peptide complex | | Descriptor: | DNA-directed RNA polymerase II subunit RPB1, DNA-directed RNA polymerase II subunit RPB11, DNA-directed RNA polymerase II subunit RPB2, ... | | Authors: | Plaschka, C, Hantsche, M, Dienemann, C, Burzinski, C, Plitzko, J, Cramer, P. | | Deposit date: | 2016-03-09 | | Release date: | 2016-05-11 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (3.52 Å) | | Cite: | Transcription initiation complex structures elucidate DNA opening.
Nature, 533, 2016
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5IHW
 | | The crystal structure of SdrE from staphylococcus aureus | | Descriptor: | Serine-aspartate repeat-containing protein E | | Authors: | Zhang, S, Wei, J, Wu, S, Zhang, X, Luo, M, Wang, D. | | Deposit date: | 2016-02-29 | | Release date: | 2017-03-22 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | The crystal structure of SdrE from staphylococcus aureus
To Be Published
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5IIG
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5F0L
 | | Structure of retromer VPS26-VPS35 subunits bound to SNX3 and DMT1 | | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, Natural resistance-associated macrophage protein 2, ... | | Authors: | Lucas, M, Gershlick, D, Vidaurrazaga, A, Rojas, A.L, Bonifacino, J.S, Hierro, A. | | Deposit date: | 2015-11-27 | | Release date: | 2016-12-07 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Structural Mechanism for Cargo Recognition by the Retromer Complex.
Cell, 167, 2016
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5IIO
 | | Crystal structure of the DNA polymerase lambda binary complex | | Descriptor: | DNA (5'-D(*CP*AP*GP*TP*AP*C)-3'), DNA (5'-D(*CP*GP*GP*CP*(8OG)P*GP*TP*AP*CP*TP*G)-3'), DNA (5'-D(P*GP*CP*CP*G)-3'), ... | | Authors: | Burak, M.J, Guja, K.E, Garcia-Diaz, M. | | Deposit date: | 2016-03-01 | | Release date: | 2016-08-17 | | Last modified: | 2016-09-28 | | Method: | X-RAY DIFFRACTION (2.08 Å) | | Cite: | A fidelity mechanism in DNA polymerase lambda promotes error-free bypass of 8-oxo-dG.
Embo J., 35, 2016
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5EYB
 | | X-ray Structure of Reb1-Ter Complex | | Descriptor: | DNA (26-MER), DNA-binding protein reb1 | | Authors: | Jaiswal, R, Choudhury, M, Zaman, S, Singh, S, Santosh, V, Bastia, D, Escalante, C.R. | | Deposit date: | 2015-11-24 | | Release date: | 2016-04-13 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Functional architecture of the Reb1-Ter complex of Schizosaccharomyces pombe.
Proc.Natl.Acad.Sci.USA, 113, 2016
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1IDJ
 | | PECTIN LYASE A | | Descriptor: | PECTIN LYASE A | | Authors: | Mayans, O, Scott, M, Connerton, I, Gravesen, T, Benen, J, Visser, J, Pickersgill, R, Jenkins, J. | | Deposit date: | 1996-10-04 | | Release date: | 1997-10-15 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Two crystal structures of pectin lyase A from Aspergillus reveal a pH driven conformational change and striking divergence in the substrate-binding clefts of pectin and pectate lyases.
Structure, 5, 1997
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2Z7I
 | | S. cerevisiae geranylgeranyl pyrophosphate synthase in complex with inhibitor BPH-742 | | Descriptor: | (2,2-DIPHOSPHONOETHYL)(DODECYL)DIMETHYLPHOSPHONIUM, Geranylgeranyl pyrophosphate synthetase, MAGNESIUM ION | | Authors: | Guo, R.T, Chen, C.K.-M, Ko, T.-P, Cao, R, Hudock, M, Oldfield, E, Wang, A.H.-J. | | Deposit date: | 2007-08-23 | | Release date: | 2008-07-08 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Inhibition of geranylgeranyl diphosphate synthase by bisphosphonates: a crystallographic and computational investigation
J.Med.Chem., 51, 2008
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2Z4X
 | | S. cerevisiae geranylgeranyl pyrophosphate synthase in complex with magnesium and BPH-252 (P21) | | Descriptor: | (1-HYDROXYNONANE-1,1-DIYL)BIS(PHOSPHONIC ACID), Geranylgeranyl pyrophosphate synthetase, MAGNESIUM ION | | Authors: | Guo, R.T, Chen, C.K.-M, Hudock, M, Cao, R, Oldfield, E, Wang, A.H.-J. | | Deposit date: | 2007-06-26 | | Release date: | 2008-07-01 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Inhibition of geranylgeranyl diphosphate synthase by bisphosphonates: a crystallographic and computational investigation
J.Med.Chem., 51, 2008
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4LA6
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2Z5F
 | | Human sulfotransferase Sult1b1 in complex with PAP | | Descriptor: | ADENOSINE-3'-5'-DIPHOSPHATE, Sulfotransferase family cytosolic 1B member 1 | | Authors: | Dombrovski, L, Pegasova, T, Wu, H, Loppnau, P, Edwards, A.M, Arrowsmith, C.H, Sundstrom, M, Plotnikov, A.N, Bochkarev, A, Structural Genomics Consortium (SGC) | | Deposit date: | 2007-07-07 | | Release date: | 2007-08-14 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystal structures of human sulfotransferases SULT1B1 and SULT1C1 complexed with the cofactor product adenosine-3'-5'-diphosphate (PAP)
Proteins, 64, 2006
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5IKA
 | | Tobacco 5-epi-aristolochene synthase with PPi | | Descriptor: | 5-epi-aristolochene synthase, DIPHOSPHATE, MAGNESIUM ION | | Authors: | Koo, H.J, Xu, Y, Louie, G.V, Bowman, M, Noel, J.P. | | Deposit date: | 2016-03-03 | | Release date: | 2016-10-05 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Biosynthetic potential of sesquiterpene synthases: product profiles of Egyptian Henbane premnaspirodiene synthase and related mutants.
J.Antibiot., 69, 2016
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5F58
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5I6G
 | | Crystal structure of C-terminal variant 2 of Chaetomium thermophilum acetyl-CoA carboxylase | | Descriptor: | Acetyl-CoA carboxylase-like protein,Acetyl-CoA carboxylase-like protein | | Authors: | Hunkeler, M, Stuttfeld, E, Hagmann, A, Imseng, S, Maier, T. | | Deposit date: | 2016-02-16 | | Release date: | 2016-04-20 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (4.5 Å) | | Cite: | The dynamic organization of fungal acetyl-CoA carboxylase.
Nat Commun, 7, 2016
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5F5E
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