7AI6
 
 | | MutS in mismatch bound state | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, DNA (25-MER), DNA mismatch repair protein MutS | | Authors: | Fernandez-Leiro, R, Bhairosing-Kok, D, Sixma, T.K, Lamers, M.H. | | Deposit date: | 2020-09-26 | | Release date: | 2021-03-31 | | Last modified: | 2024-05-01 | | Method: | ELECTRON MICROSCOPY (6.9 Å) | | Cite: | The selection process of licensing a DNA mismatch for repair.
Nat.Struct.Mol.Biol., 28, 2021
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7AI5
 | | MutS in Scanning state | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, DNA (5'-D(P*CP*GP*GP*TP*AP*CP*CP*CP*AP*AP*TP*TP*CP*GP*CP*CP*CP*TP*AP*TP*AP*G)-3'), DNA (5'-D(P*CP*TP*AP*TP*AP*GP*GP*GP*CP*GP*AP*AP*TP*TP*GP*GP*GP*TP*AP*CP*CP*G)-3'), ... | | Authors: | Fernandez-Leiro, R, Bhairosing-Kok, D, Sixma, T.K, Lamers, M.H. | | Deposit date: | 2020-09-26 | | Release date: | 2021-03-31 | | Last modified: | 2024-05-01 | | Method: | ELECTRON MICROSCOPY (4.4 Å) | | Cite: | The selection process of licensing a DNA mismatch for repair.
Nat.Struct.Mol.Biol., 28, 2021
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7AIC
 | | MutS-MutL in clamp state (kinked clamp domain) | | Descriptor: | DNA (30-MER), DNA mismatch repair protein MutL, DNA mismatch repair protein MutS, ... | | Authors: | Fernandez-Leiro, R, Bhairosing-Kok, D, Sixma, T.K, Lamers, M.H. | | Deposit date: | 2020-09-26 | | Release date: | 2021-03-31 | | Last modified: | 2024-05-01 | | Method: | ELECTRON MICROSCOPY (5 Å) | | Cite: | The selection process of licensing a DNA mismatch for repair.
Nat.Struct.Mol.Biol., 28, 2021
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3VTT
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7EPN
 | | Ketosteroid Isomerase KSI native | | Descriptor: | SnoaL-like domain-containing protein | | Authors: | Liang, Y, Zhang, Q, Bartlam, M. | | Deposit date: | 2021-04-27 | | Release date: | 2021-12-22 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural characterization and Kemp eliminase activity of the Mycobacterium smegmatis Ketosteroid Isomerase.
Biochem.Biophys.Res.Commun., 560, 2021
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1UJ1
 | | Crystal structure of SARS Coronavirus Main Proteinase (3CLpro) | | Descriptor: | 3C-like proteinase | | Authors: | Yang, H, Yang, M, Liu, Y, Bartlam, M, Ding, Y, Lou, Z, Sun, L, Zhou, Z, Ye, S, Anand, K, Pang, H, Gao, G.F, Hilgenfeld, R, Rao, Z. | | Deposit date: | 2003-07-25 | | Release date: | 2003-11-18 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | The crystal structures of severe acute respiratory syndrome virus main protease and its complex with an inhibitor
Proc.Natl.Acad.Sci.USA, 100, 2003
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1UK2
 | | Crystal structure of SARS Coronavirus Main Proteinase (3CLpro) At pH8.0 | | Descriptor: | 3C-LIKE PROTEINASE | | Authors: | Yang, H, Yang, M, Liu, Y, Bartlam, M, Ding, Y, Lou, Z, Sun, L, Zhou, Z, Ye, S, Anand, K, Pang, H, Gao, G.F, Hilgenfeld, R, Rao, Z. | | Deposit date: | 2003-08-14 | | Release date: | 2003-11-18 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | The crystal structures of severe acute respiratory syndrome virus main protease and its complex with an inhibitor
Proc.Natl.Acad.Sci.USA, 100, 2003
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1UK3
 | | Crystal structure of SARS Coronavirus Main Proteinase (3CLpro) At pH7.6 | | Descriptor: | 3C-like proteinase | | Authors: | Yang, H, Yang, M, Liu, Y, Bartlam, M, Ding, Y, Lou, Z, Sun, L, Zhou, Z, Ye, S, Anand, K, Pang, H, Gao, G.F, Hilgenfeld, R, Rao, Z. | | Deposit date: | 2003-08-14 | | Release date: | 2003-11-18 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | The crystal structures of severe acute respiratory syndrome virus main protease and its complex with an inhibitor
Proc.Natl.Acad.Sci.USA, 100, 2003
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1UK4
 | | Crystal structure of SARS Coronavirus Main Proteinase (3CLpro) Complexed With An Inhibitor | | Descriptor: | 3C-like proteinase nsp5, 5-mer peptide of inhibitor | | Authors: | Yang, H, Yang, M, Liu, Y, Bartlam, M, Ding, Y, Lou, Z, Sun, L, Zhou, Z, Ye, S, Anand, K, Pang, H, Gao, G.F, Hilgenfeld, R, Rao, Z. | | Deposit date: | 2003-08-14 | | Release date: | 2003-11-18 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | The crystal structures of severe acute respiratory syndrome virus main protease and its complex with an inhibitor
Proc.Natl.Acad.Sci.USA, 100, 2003
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3SDG
 | | Ethionamide Boosters Part 2: Combining Bioisosteric Replacement and Structure-Based Drug Design to Solve Pharmacokinetic Issues in a Series of Potent 1,2,4-Oxadiazole EthR Inhibitors. | | Descriptor: | 4,4,4-trifluoro-1-{4-[3-(1,3-thiazol-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl}butan-1-one, HTH-type transcriptional regulator EthR | | Authors: | Flipo, M, Desroses, M, Lecat-Guillet, N, Villemagne, B, Blondiaux, N, Leroux, F, Piveteau, C, Mathys, V, Flament, M.P, Siepmann, J, Villeret, V, Wohlkonig, A, Wintjens, R, Soror, S.H, Christophe, T, Jeon, H.K, Locht, C, Brodin, P, D prez, B, Baulard, A.R, Willand, N. | | Deposit date: | 2011-06-09 | | Release date: | 2011-12-07 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.87 Å) | | Cite: | Ethionamide Boosters. 2. Combining Bioisosteric Replacement and Structure-Based Drug Design To Solve Pharmacokinetic Issues in a Series of Potent 1,2,4-Oxadiazole EthR Inhibitors.
J.Med.Chem., 55, 2012
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5WQO
 | | Crystal structure of a carbonyl reductase from Pseudomonas aeruginosa PAO1 in complex with NADP (condition I) | | Descriptor: | 1,2-ETHANEDIOL, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Probable dehydrogenase, ... | | Authors: | Li, S, Wang, Y, Bartlam, M. | | Deposit date: | 2016-11-27 | | Release date: | 2017-10-04 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | Structure and characterization of a NAD(P)H-dependent carbonyl reductase from Pseudomonas aeruginosa PAO1.
FEBS Lett., 591, 2017
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5WQM
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3SFI
 | | Ethionamide Boosters Part 2: Combining Bioisosteric Replacement and Structure-Based Drug Design to Solve Pharmacokinetic Issues in a Series of Potent 1,2,4-Oxadiazole EthR Inhibitors. | | Descriptor: | 5,5,5-trifluoro-1-{4-[3-(1,3-thiazol-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl}pentan-1-one, Transcriptional regulatory repressor protein (TETR-family) | | Authors: | Flipo, M, Desroses, M, Lecat-Guillet, N, Villemagne, B, Blondiaux, N, Leroux, F, Piveteau, C, Mathys, V, Flament, M.P, Siepmann, J, Villeret, V, Wohlkonig, A, Wintjens, R, Soror, S.H, Christophe, T, Jeon, H.K, Locht, C, Brodin, P, D prez, B, Baulard, A.R, Willand, N. | | Deposit date: | 2011-06-13 | | Release date: | 2011-12-07 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.31 Å) | | Cite: | Ethionamide Boosters. 2. Combining Bioisosteric Replacement and Structure-Based Drug Design To Solve Pharmacokinetic Issues in a Series of Potent 1,2,4-Oxadiazole EthR Inhibitors.
J.Med.Chem., 55, 2012
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2FG6
 | | N-succinyl-L-ornithine transcarbamylase from B. fragilis complexed with sulfate and N-succinyl-L-norvaline | | Descriptor: | N-(3-CARBOXYPROPANOYL)-L-NORVALINE, SULFATE ION, putative ornithine carbamoyltransferase | | Authors: | Shi, D, Yu, X, Malamy, M.H, Allewell, N.M, Mendel, T. | | Deposit date: | 2005-12-21 | | Release date: | 2006-05-23 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structure and catalytic mechanism of a novel N-succinyl-L-ornithine transcarbamylase in arginine biosynthesis of Bacteroides fragilis.
J.Biol.Chem., 281, 2006
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2JO0
 | | The solution structure of the monomeric species of the C terminal domain of the CA protein of HIV-1 | | Descriptor: | Gag-Pol polyprotein | | Authors: | Alcaraz, L.A, del Alamo, M, Barrera, F.N, Mateu, M.G, Neira, J.L. | | Deposit date: | 2007-02-17 | | Release date: | 2007-07-31 | | Last modified: | 2023-12-20 | | Method: | SOLUTION NMR | | Cite: | Flexibility in HIV-1 Assembly Subunits: Solution Structure of the Monomeric C-Terminal Domain of the Capsid Protein
Biophys.J., 93, 2007
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2FG7
 | | N-succinyl-L-ornithine transcarbamylase from B. fragilis complexed with carbamoyl phosphate and N-succinyl-L-norvaline | | Descriptor: | N-(3-CARBOXYPROPANOYL)-L-NORVALINE, PHOSPHORIC ACID MONO(FORMAMIDE)ESTER, SULFATE ION, ... | | Authors: | Shi, D, Yu, X, Malamy, M.H, Allewell, N.M, Tuchman, M. | | Deposit date: | 2005-12-21 | | Release date: | 2006-05-23 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Structure and catalytic mechanism of a novel N-succinyl-L-ornithine transcarbamylase in arginine biosynthesis of Bacteroides fragilis.
J.Biol.Chem., 281, 2006
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3DJU
 | | Crystal structure of human BTG2 | | Descriptor: | Protein BTG2 | | Authors: | Yang, X, Morita, M, Wang, H, Suzuki, T, Bartlam, M, Yamamoto, T. | | Deposit date: | 2008-06-24 | | Release date: | 2008-11-11 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.26 Å) | | Cite: | Crystal structures of human BTG2 and mouse TIS21 involved in suppression of CAF1 deadenylase activity
Nucleic Acids Res., 36, 2008
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1XV9
 | | crystal structure of CAR/RXR heterodimer bound with SRC1 peptide, fatty acid, and 5b-pregnane-3,20-dione. | | Descriptor: | (5BETA)-PREGNANE-3,20-DIONE, Orphan nuclear receptor NR1I3, PENTADECANOIC ACID, ... | | Authors: | Xu, R.X, Lambert, M.H, Wisely, B.B, Warren, E.N, Weinert, E.E, Waitt, G.M, Williams, J.D, Moore, L.B, Willson, T.M, Moore, J.T. | | Deposit date: | 2004-10-27 | | Release date: | 2004-12-28 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | A Structural Basis for Constitutive Activity in the Human CAR/RXRalpha Heterodimer.
Mol.Cell, 16, 2004
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2GWX
 | | MOLECULAR RECOGNITION OF FATTY ACIDS BY PEROXISOME PROLIFERATOR-ACTIVATED RECEPTORS | | Descriptor: | PROTEIN (PPAR-DELTA) | | Authors: | Xu, H.E, Lambert, M.H, Montana, V.G, Park, D.J, Blanchard, S, Brown, P, Sternbach, D, Lehmann, J, Bruce, G.W, Willson, T.M, Kliewer, S.A, Milburn, M.V. | | Deposit date: | 1999-03-11 | | Release date: | 2000-03-11 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Molecular recognition of fatty acids by peroxisome proliferator-activated receptors.
Mol.Cell, 3, 1999
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3DJN
 | | Crystal structure of mouse TIS21 | | Descriptor: | Protein BTG2 | | Authors: | Yang, X, Morita, M, Wang, H, Suzuki, T, Bartlam, M, Yamamoto, T. | | Deposit date: | 2008-06-24 | | Release date: | 2008-11-11 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal structures of human BTG2 and mouse TIS21 involved in suppression of CAF1 deadenylase activity
Nucleic Acids Res., 36, 2008
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1U9E
 | | CRYSTAL STRUCTURE OF ESTROGEN RECEPTOR BETA COMPLEXED WITH WAY-397 | | Descriptor: | 2-(4-HYDROXY-PHENYL)BENZOFURAN-5-OL, Estrogen receptor beta, STEROID RECEPTOR COACTIVATOR-1 | | Authors: | Manas, E.S, Unwalla, R.J, Xu, Z.B, Malamas, M.S, Miller, C.P, Harris, H.A, Hsiao, C, Akopian, T, Hum, W.T, Malakian, K, Wolfrom, S, Bapat, A, Bhat, R.A, Stahl, M.L, Somers, W.S, Alvarez, J.C. | | Deposit date: | 2004-08-09 | | Release date: | 2005-03-01 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structure-Based Design Of Estrogen Receptor-beta Selective Ligands
J.Am.Chem.Soc., 126, 2004
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1P8D
 | | X-Ray Crystal Structure of LXR Ligand Binding Domain with 24(S),25-epoxycholesterol | | Descriptor: | 17-[3-(3,3-DIMETHYL-OXIRANYL)-1-METHYL-PROPYL]-10,13-DIMETHYL-2,3,4,7,8,9,10,11,12,13,14,15,16,17-TETRADECAHYDRO-1H-CYC LOPENTA[A]PHENANTHREN-3-OL, Oxysterols receptor LXR-beta, nuclear receptor coactivator 1 isoform 3 | | Authors: | Williams, S, Bledsoe, R.K, Collins, J.L, Boggs, S, Lambert, M.H, Miller, A.B, Moore, J, McKee, D.D, Moore, L, Nichols, J, Parks, D, Watson, M, Wisely, B, Willson, T.M. | | Deposit date: | 2003-05-06 | | Release date: | 2003-07-08 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | X-ray crystal structure of the liver X receptor beta ligand binding domain: regulation by
a histidine-tryptophan switch.
J.Biol.Chem., 278, 2003
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4ZHV
 | | Crystal structure of a bacterial signalling protein | | Descriptor: | SULFATE ION, YfiB | | Authors: | Li, S, Li, T, Wang, Y, Bartlam, M. | | Deposit date: | 2015-04-27 | | Release date: | 2016-04-27 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.585 Å) | | Cite: | Structural insights into YfiR sequestering by YfiB in Pseudomonas aeruginosa PAO1
Sci Rep, 5, 2015
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3SA6
 | | Crystal structure of wild-type HIV-1 protease in complex with AF71 | | Descriptor: | 3-hydroxy-N-[(2S,3R)-3-hydroxy-4-([(2S)-2-methylbutyl]{[5-(1,2-oxazol-5-yl)thiophen-2-yl]sulfonyl}amino)-1-phenylbutan-2-yl]benzamide, PHOSPHATE ION, Protease | | Authors: | Schiffer, C.A, Nalam, M.N.L. | | Deposit date: | 2011-06-02 | | Release date: | 2012-06-06 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Protease Inhibitors that protrude out from substrate envelope are more susceptible to developing drug resistance
To be Published
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1Z2C
 | | Crystal structure of mDIA1 GBD-FH3 in complex with RhoC-GMPPNP | | Descriptor: | Diaphanous protein homolog 1, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ... | | Authors: | Rose, R, Weyand, M, Lammers, M, Ishizaki, T, Ahmadian, M.R, Wittinghofer, A. | | Deposit date: | 2005-03-08 | | Release date: | 2005-05-10 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structural and mechanistic insights into the interaction between Rho and mammalian Dia.
Nature, 435, 2005
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