1PYZ
 
 | | CRYSTALLOGRAPHIC STRUCTURE OF MIMOCHROME IV | | Descriptor: | CHLORIDE ION, CO(III)-(DEUTEROPORPHYRIN IX), MIMOCHROME IV, ... | | Authors: | Di Costanzo, L, Geremia, S, Randaccio, L, Nastri, F, Maglio, O, Lombardi, A, Pavone, V. | | Deposit date: | 2003-07-09 | | Release date: | 2004-12-14 | | Last modified: | 2018-06-27 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | Miniaturized heme proteins: crystal structure of Co(III)-mimochrome IV.
J.Biol.Inorg.Chem., 9, 2004
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1PYY
 | | Double mutant PBP2x T338A/M339F from Streptococcus pneumoniae strain R6 at 2.4 A resolution | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 6-O-octanoyl-beta-D-fructofuranose-(2-1)-alpha-D-glucopyranose, Penicillin-binding protein 2X, ... | | Authors: | Chesnel, L, Pernot, L, Lemaire, D, Champelovier, D, Croize, J, Dideberg, O, Vernet, T, Zapun, A. | | Deposit date: | 2003-07-09 | | Release date: | 2003-09-30 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.42 Å) | | Cite: | The Structural Modifications Induced by the M339F Substitution in PBP2x from Streptococcus pneumoniae Further Decreases the Susceptibility to beta-Lactams of Resistant Strains
J.Biol.Chem., 278, 2003
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8WXR
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8WXU
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1YGJ
 | | Crystal Structure of Pyridoxal Kinase in Complex with Roscovitine and Derivatives | | Descriptor: | (2R)-2-({6-[BENZYL(METHYL)AMINO]-9-ISOPROPYL-9H-PURIN-2-YL}AMINO)BUTAN-1-OL, Pyridoxal kinase | | Authors: | Tang, L, Li, M.-H, Cao, P, Wang, F, Chang, W.-R, Bach, S, Reinhardt, J, Ferandin, Y, Koken, M, Galons, H, Wan, Y, Gray, N, Meijer, L, Jiang, T, Liang, D.-C. | | Deposit date: | 2005-01-05 | | Release date: | 2005-07-05 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Crystal structure of pyridoxal kinase in complex with roscovitine and derivatives
J.Biol.Chem., 280, 2005
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8WXV
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2UWD
 | | Inhibition of the HSP90 molecular chaperone in vitro and in vivo by novel, synthetic, potent resorcinylic pyrazole, isoxazole amide analogs | | Descriptor: | 5-(5-CHLORO-2,4-DIHYDROXYPHENYL)-N-ETHYL-4-(4-METHOXYPHENYL)ISOXAZOLE-3-CARBOXAMIDE, HEAT SHOCK PROTEIN HSP 90-ALPHA, MAGNESIUM ION, ... | | Authors: | Sharp, S.Y, Prodromou, C, Boxall, K, Powers, M.V, Holmes, J.L, Box, G, Matthews, T.P, Cheung, K.M, Kalusa, A, James, K, Hayes, A, Hardcastle, A, Dymock, B, Brough, P.A, Barril, X, Cansfield, J.E, Wright, L.M, Surgenor, A, Foloppe, N, Aherne, W, Pearl, L, Jones, K, McDonald, E, Raynaud, F, Eccles, S, Drysdale, M, Workman, P. | | Deposit date: | 2007-03-20 | | Release date: | 2007-04-24 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Inhibition of the heat shock protein 90 molecular chaperone in vitro and in vivo by novel, synthetic, potent resorcinylic pyrazole/isoxazole amide analogues.
Mol. Cancer Ther., 6, 2007
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8WXT
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8WXQ
 | | Structure of WDR5 in complex with WIN motif containing MBD3C | | Descriptor: | GLY-ALA-ALA-ARG-CYS-ARG-VAL-PHE-SER-PRO, WD repeat-containing protein 5 | | Authors: | Xu, L, Yang, Y. | | Deposit date: | 2023-10-30 | | Release date: | 2024-06-26 | | Last modified: | 2024-07-17 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural studies of WDR5 in complex with MBD3C WIN motif reveal a unique binding mode.
J.Biol.Chem., 300, 2024
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8WXX
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4EFI
 | | Crystal Structure of 3-oxoacyl-(Acyl-carrier protein) Synthase from Burkholderia Xenovorans LB400 | | Descriptor: | 3-oxoacyl-(Acyl-carrier protein) synthase, CHLORIDE ION, FORMIC ACID, ... | | Authors: | Seattle Structural Genomics Center for Infectious Disease, Craig, T.K, Abendroth, J, Staker, B, Stewart, L, Seattle Structural Genomics Center for Infectious Disease (SSGCID) | | Deposit date: | 2012-03-29 | | Release date: | 2012-04-11 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Combining functional and structural genomics to sample the essential Burkholderia structome.
Plos One, 8, 2013
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6TCD
 | | Crystal structure of Salmo salar RidA-2 | | Descriptor: | ACETATE ION, Ribonuclease UK114, SULFATE ION | | Authors: | Ricagno, S, Visentin, C, Di Pisa, F, Digiovanni, S, Oberti, L, Degani, G, Popolo, L, Bartorelli, A. | | Deposit date: | 2019-11-05 | | Release date: | 2020-07-29 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.36 Å) | | Cite: | Two novel fish paralogs provide insights into the Rid family of imine deaminases active in pre-empting enamine/imine metabolic damage.
Sci Rep, 10, 2020
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5U3J
 | | Crystal Structure of DH511.1 Fab in Complex with HIV-1 gp41 MPER Peptide | | Descriptor: | DH511.1 Heavy Chain, DH511.1 Light Chain, gp41 MPER peptide | | Authors: | Ofek, G, Wu, L, Lougheed, C.S, Williams, L.D, Nicely, N.I, Haynes, B.F. | | Deposit date: | 2016-12-02 | | Release date: | 2017-02-15 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.74 Å) | | Cite: | Potent and broad HIV-neutralizing antibodies in memory B cells and plasma.
Sci Immunol, 2, 2017
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2VV2
 | | hPPARgamma Ligand binding domain in complex with 5-HEPA | | Descriptor: | (5R,6E,8Z,11Z,14Z,17Z)-5-hydroxyicosa-6,8,11,14,17-pentaenoic acid, PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR GAMMA | | Authors: | Itoh, T, Fairall, L, Schwabe, J.W.R. | | Deposit date: | 2008-06-02 | | Release date: | 2008-08-19 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Structural Basis for the Activation of Pparg by Oxidised Fatty Acids
Nat.Struct.Mol.Biol., 15, 2008
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1HH3
 | | Decaplanin first P21-Form | | Descriptor: | 4-epi-vancosamine, DECAPLANIN, GLYCEROL, ... | | Authors: | Lehmann, C, Vertessy, L, Sheldrick, G.M, Dauter, Z, Dauter, M. | | Deposit date: | 2000-12-19 | | Release date: | 2005-07-11 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1 Å) | | Cite: | Structures of Four Crystal Forms of Decaplanin
Helv.Chim.Acta, 86, 2003
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5UBB
 | | Crystal structure of human alpha N-terminal protein methyltransferase 1B | | Descriptor: | Alpha N-terminal protein methyltransferase 1B, S-ADENOSYLMETHIONINE, UNKNOWN ATOM OR ION | | Authors: | Dong, C, Zhu, L, Tempel, W, Dong, A, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | | Deposit date: | 2016-12-20 | | Release date: | 2017-03-22 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | An asparagine/glycine switch governs product specificity of human N-terminal methyltransferase NTMT2.
Commun Biol, 1, 2018
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1HCQ
 | | THE CRYSTAL STRUCTURE OF THE ESTROGEN RECEPTOR DNA-BINDING DOMAIN BOUND TO DNA: HOW RECEPTORS DISCRIMINATE BETWEEN THEIR RESPONSE ELEMENTS | | Descriptor: | DNA (5'-D(*CP*CP*AP*GP*GP*TP*CP*AP*CP*AP*GP*TP*GP*AP*CP*CP*T P*G)-3'), DNA (5'-D(*CP*CP*AP*GP*GP*TP*CP*AP*CP*TP*GP*TP*GP*AP*CP*CP*T P*G)-3'), PROTEIN (ESTROGEN RECEPTOR), ... | | Authors: | Schwabe, J.W.R, Chapman, L, Finch, J.T, Rhodes, D. | | Deposit date: | 1995-01-04 | | Release date: | 1995-11-23 | | Last modified: | 2022-12-21 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | The crystal structure of the estrogen receptor DNA-binding domain bound to DNA: how receptors discriminate between their response elements.
Cell(Cambridge,Mass.), 75, 1993
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2VV4
 | | hPPARgamma Ligand binding domain in complex with 6-oxoOTE | | Descriptor: | (8E,10S,12Z)-10-hydroxy-6-oxooctadeca-8,12-dienoic acid, (8R,9Z,12Z)-8-hydroxy-6-oxooctadeca-9,12-dienoic acid, PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR GAMMA | | Authors: | Itoh, T, Fairall, L, Schwabe, J.W.R. | | Deposit date: | 2008-06-02 | | Release date: | 2008-08-19 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Structural Basis for the Activation of Pparg by Oxidised Fatty Acids
Nat.Struct.Mol.Biol., 15, 2008
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7ROR
 | | Plasmodium falciparum tyrosyl-tRNA synthetase in complex with tyrosine-AMP | | Descriptor: | 5'-O-[(S)-{[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxy}(hydroxy)phosphoryl]adenosine, CHLORIDE ION, MAGNESIUM ION, ... | | Authors: | Metcalfe, R.D, Xie, S.C, Morton, C.J, Tilley, L, Griffin, M.D.W. | | Deposit date: | 2021-08-02 | | Release date: | 2022-06-08 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Reaction hijacking of tyrosine tRNA synthetase as a new whole-of-life-cycle antimalarial strategy.
Science, 376, 2022
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7ROS
 | | Plasmodium falciparum tyrosyl-tRNA synthetase in complex with ML901-Tyr | | Descriptor: | CHLORIDE ION, MAGNESIUM ION, Tyrosine--tRNA ligase, ... | | Authors: | Metcalfe, R.D, Xie, S.C, Morton, C.J, Tilley, L, Griffin, M.D.W. | | Deposit date: | 2021-08-02 | | Release date: | 2022-06-08 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Reaction hijacking of tyrosine tRNA synthetase as a new whole-of-life-cycle antimalarial strategy.
Science, 376, 2022
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7ROU
 | | Structure of human tyrosyl tRNA synthetase in complex with ML901-Tyr | | Descriptor: | SULFATE ION, Tyrosine--tRNA ligase, cytoplasmic, ... | | Authors: | Metcalfe, R.D, Xie, S.C, Morton, C.J, Tilley, L, Griffin, M.D.W. | | Deposit date: | 2021-08-02 | | Release date: | 2022-06-08 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Reaction hijacking of tyrosine tRNA synthetase as a new whole-of-life-cycle antimalarial strategy.
Science, 376, 2022
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8VEJ
 | | De novo designed cholic acid binder: CHD_buttress | | Descriptor: | CHD_buttress, CHOLIC ACID | | Authors: | Bera, A.K, Tran, L, Kang, A, Baker, D. | | Deposit date: | 2023-12-19 | | Release date: | 2024-07-17 | | Last modified: | 2024-07-31 | | Method: | X-RAY DIFFRACTION (3.59 Å) | | Cite: | Binding and sensing diverse small molecules using shape-complementary pseudocycles.
Science, 385, 2024
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7ROT
 | | Plasmodium falciparum tyrosyl-tRNA synthetase, S234C mutant, in complex with ML901-Tyr | | Descriptor: | CHLORIDE ION, MAGNESIUM ION, Tyrosine--tRNA ligase, ... | | Authors: | Metcalfe, R.D, Xie, S.C, Morton, C.J, Tilley, L, Griffin, M.D.W. | | Deposit date: | 2021-08-02 | | Release date: | 2022-06-08 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Reaction hijacking of tyrosine tRNA synthetase as a new whole-of-life-cycle antimalarial strategy.
Science, 376, 2022
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4DLH
 | | Crystal Structure of the protein Q9HRE7 from Halobacterium salinarium at the resolution 1.9A, Northeast Structural Genomics Consortium (NESG) Target HsR50 | | Descriptor: | uncharacterized protein | | Authors: | Kuzin, A, Chen, Y, Seetharaman, J, Mao, M, Xiao, R, Ciccosanti, C, Zhao, L, Everett, J.K, Nair, R, Acton, T.B, Rost, B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2012-02-06 | | Release date: | 2012-02-15 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Northeast Structural Genomics Consortium Target HsR50
To be Published
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1NYX
 | | Ligand binding domain of the human peroxisome proliferator activated receptor gamma in complex with an agonist | | Descriptor: | (2S)-2-ETHOXY-3-{4-[2-(10H-PHENOXAZIN-10-YL)ETHOXY]PHENYL}PROPANOIC ACID, peroxisome proliferator activated receptor gamma | | Authors: | Ebdrup, S, Pettersson, I, Rasmussen, H.B, Deussen, H.-J, Frost Jensen, A, Mortensen, S.B, Fleckner, J, Pridal, L, Nygaard, L, Sauerberg, P. | | Deposit date: | 2003-02-14 | | Release date: | 2003-07-15 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Synthesis and biological and structural characterization of the dual-acting peroxisome proliferator-activated receptor alpha/gamma agonist ragaglitazar
J.MED.CHEM., 46, 2003
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