2CIB
 
 | | High throughput screening and x-ray crystallography assisted evaluation of small molecule scaffolds for CYP51 inhibitors | | Descriptor: | (2S)-2-[(2,1,3-BENZOTHIADIAZOL-4-YLSULFONYL)AMINO]-2-PHENYL-N-PYRIDIN-4-YLACETAMIDE, CYTOCHROME P450 51, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Podust, L.M, Kim, Y, Yermalitskaya, L.V, Von Kries, J.P, Waterman, M.R. | | Deposit date: | 2006-03-17 | | Release date: | 2007-07-03 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Small Molecule Scaffolds for Cyp51 Inhibitors Identified by High Throughput Screening and Defined by X-Ray Crystallography
Antimicrob.Agents Chemother., 51, 2007
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5YOA
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5YPV
 | | Crystal structure of FabD from Acinetobacter baumannii | | Descriptor: | Malonyl CoA-acyl carrier protein transacylase | | Authors: | Lee, W.C, Kim, Y. | | Deposit date: | 2017-11-03 | | Release date: | 2018-11-07 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.67 Å) | | Cite: | Elucidation of the crystal structure of FabD from the multidrug-resistant bacterium Acinetobacter baumannii.
Biochem.Biophys.Res.Commun., 505, 2018
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6BIC
 | | 2.25 A resolution structure of Norovirus 3CL protease in complex with a triazole-based macrocyclic inhibitor | | Descriptor: | (phenylmethyl) ~{N}-[(9~{S},12~{S},15~{S})-9-(hydroxymethyl)-12-(2-methylpropyl)-6,11,14-tris(oxidanylidene)-1,5,10,13,18,19-hexazabicyclo[15.2.1]icosa-17(20),18-dien-15-yl]carbamate, 3C-like protease | | Authors: | Lovell, S, Battaile, K.P, Mehzabeen, N, Kankanamalage, A.C.G, Weerawarna, P.M, Rathnayake, A.D, Kim, Y, Chang, K.O, Groutas, W.C. | | Deposit date: | 2017-11-01 | | Release date: | 2018-11-07 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Putative structural rearrangements associated with the interaction of macrocyclic inhibitors with norovirus 3CL protease.
Proteins, 87, 2019
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6BIB
 | | 1.95 A resolution structure of Norovirus 3CL protease in complex with a triazole-based macrocyclic inhibitor | | Descriptor: | 3C-like protease, benzyl [(9S,12S,15S)-12-(cyclohexylmethyl)-9-(hydroxymethyl)-6,11,14-trioxo-1,5,10,13,18,19-hexaazabicyclo[15.2.1]icosa-17(20),18-dien-15-yl]carbamate | | Authors: | Lovell, S, Battaile, K.P, Mehzabeen, N, Kankanamalage, A.C.G, Weerawarna, P.M, Rathnayake, A.D, Kim, Y, Chang, K.O, Groutas, W.C. | | Deposit date: | 2017-11-01 | | Release date: | 2018-11-07 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Putative structural rearrangements associated with the interaction of macrocyclic inhibitors with norovirus 3CL protease.
Proteins, 87, 2019
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5ZQB
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2BN4
 | | A second FMN-binding site in yeast NADPH-cytochrome P450 reductase suggests a novel mechanism of electron transfer by diflavin reductase | | Descriptor: | FLAVIN MONONUCLEOTIDE, FLAVIN-ADENINE DINUCLEOTIDE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | Authors: | Podust, L.M, Lepesheva, G.I, Kim, Y, Yermalitskaya, L.V, Yermalitsky, V.N, Lamb, D.C, Kelly, S.L, Waterman, M.R. | | Deposit date: | 2005-03-18 | | Release date: | 2006-01-17 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.91 Å) | | Cite: | A Second Fmn-Binding Site in Yeast Nadph-Cytochrome P450 Reductase Suggests a Mechanism of Electron Transfer by Diflavin Reductases.
Structure, 14, 2006
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5YU4
 | | Structural basis for recognition of L-lysine, L-ornithine, and L-2,4-diamino butyric acid by lysine cyclodeaminase | | Descriptor: | 2,4-DIAMINOBUTYRIC ACID, Lysine cyclodeaminase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | | Authors: | Min, K.J, Yoon, H.J, Matsuura, A, Kim, Y.H, Lee, H.H. | | Deposit date: | 2017-11-20 | | Release date: | 2018-05-02 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.144 Å) | | Cite: | Structural Basis for Recognition of L-lysine, L-ornithine, and L-2,4-diamino Butyric Acid by Lysine Cyclodeaminase.
Mol. Cells, 41, 2018
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6BID
 | | 1.15 A resolution structure of Norovirus 3CL protease in complex with a triazole-based macrocyclic inhibitor | | Descriptor: | 3C-like protease, benzyl [(8S,11S,14S)-11-(cyclohexylmethyl)-8-(hydroxymethyl)-5,10,13-trioxo-1,4,9,12,17,18-hexaazabicyclo[14.2.1]nonadeca-16(19),17-dien-14-yl]carbamate | | Authors: | Lovell, S, Battaile, K.P, Mehzabeen, N, Kankanamalage, A.C.G, Weerawarna, P.M, Rathnayake, A.D, Kim, Y, Chang, K.O, Groutas, W.C. | | Deposit date: | 2017-11-01 | | Release date: | 2018-11-07 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.15 Å) | | Cite: | Putative structural rearrangements associated with the interaction of macrocyclic inhibitors with norovirus 3CL protease.
Proteins, 87, 2019
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2B2W
 | | Tandem chromodomains of human CHD1 complexed with Histone H3 Tail containing trimethyllysine 4 | | Descriptor: | Chromodomain-helicase-DNA-binding protein 1, Histone H3 | | Authors: | Flanagan IV, J.F, Mi, L.-Z, Chruszcz, M, Cymborowski, M, Clines, K.L, Kim, Y, Minor, W, Rastinejad, F, Khorasanizadeh, S. | | Deposit date: | 2005-09-19 | | Release date: | 2005-12-27 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Double chromodomains cooperate to recognize the methylated histone H3 tail.
Nature, 438, 2005
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5YU3
 | | Structural basis for recognition of L-lysine, L-ornithine, and L-2,4-diamino butyric acid by lysine cyclodeaminase | | Descriptor: | Lysine cyclodeaminase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, PROLINE, ... | | Authors: | Min, K.J, Yoon, H.J, Matsuura, A, Kim, Y.H, Lee, H.H. | | Deposit date: | 2017-11-20 | | Release date: | 2018-05-02 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.79 Å) | | Cite: | Structural Basis for Recognition of L-lysine, L-ornithine, and L-2,4-diamino Butyric Acid by Lysine Cyclodeaminase.
Mol. Cells, 41, 2018
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5YU0
 | | Structural basis for recognition of L-lysine, L-ornithine, and L-2,4-diamino butyric acid by lysine cyclodeaminase | | Descriptor: | Lysine cyclodeaminase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SODIUM ION | | Authors: | Min, K.J, Yoon, H.J, Matsuura, A, Kim, Y.H, Lee, H.H. | | Deposit date: | 2017-11-20 | | Release date: | 2018-05-02 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.92 Å) | | Cite: | Structural Basis for Recognition of L-lysine, L-ornithine, and L-2,4-diamino Butyric Acid by Lysine Cyclodeaminase.
Mol. Cells, 41, 2018
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5YZU
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2B2T
 | | Tandem chromodomains of human CHD1 complexed with Histone H3 Tail containing trimethyllysine 4 and phosphothreonine 3 | | Descriptor: | Chromodomain-helicase-DNA-binding protein 1, Histone H3 tail | | Authors: | Flanagan IV, J.F, Mi, L.-Z, Chruszcz, M, Cymborowski, M, Clines, K.L, Kim, Y, Minor, W, Rastinejad, F, Khorasanizadeh, S. | | Deposit date: | 2005-09-19 | | Release date: | 2005-12-27 | | Last modified: | 2022-04-13 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Double chromodomains cooperate to recognize the methylated histone H3 tail.
Nature, 438, 2005
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5YU1
 | | Structural basis for recognition of L-lysine, L-ornithine, and L-2,4-diamino butyric acid by lysine cyclodeaminase | | Descriptor: | (2S)-piperidine-2-carboxylic acid, Lysine cyclodeaminase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | | Authors: | Min, K.J, Yoon, H.J, Matsuura, A, Kim, Y.H, Lee, H.H. | | Deposit date: | 2017-11-20 | | Release date: | 2018-05-02 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.923 Å) | | Cite: | Structural Basis for Recognition of L-lysine, L-ornithine, and L-2,4-diamino Butyric Acid by Lysine Cyclodeaminase.
Mol. Cells, 41, 2018
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2B2Y
 | | Tandem chromodomains of human CHD1 | | Descriptor: | Chromodomain-helicase-DNA-binding protein 1 | | Authors: | Flanagan IV, J.F, Mi, L.-Z, Chruszcz, M, Cymborowski, M, Clines, K.L, Kim, Y, Minor, W, Rastinejad, F, Khorasanizadeh, S. | | Deposit date: | 2005-09-19 | | Release date: | 2005-12-27 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Double chromodomains cooperate to recognize the methylated histone H3 tail.
Nature, 438, 2005
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2B2V
 | | Crystal structure analysis of human CHD1 chromodomains 1 and 2 bound to histone H3 resi 1-15 MeK4 | | Descriptor: | Chromodomain-helicase-DNA-binding protein 1, Histone H3 | | Authors: | Flanagan IV, J.F, Mi, L.-Z, Chruszcz, M, Cymborowski, M, Clines, K.L, Kim, Y, Minor, W, Rastinejad, F, Khorasanizadeh, S. | | Deposit date: | 2005-09-19 | | Release date: | 2005-12-27 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Double chromodomains cooperate to recognize the methylated histone H3 tail.
Nature, 438, 2005
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2B2U
 | | Tandem chromodomains of human CHD1 complexed with Histone H3 Tail containing trimethyllysine 4 and dimethylarginine 2 | | Descriptor: | Chromodomain-helicase-DNA-binding protein 1, Histone H3 | | Authors: | Flanagan IV, J.F, Mi, L.-Z, Chruszcz, M, Cymborowski, M, Clines, K.L, Kim, Y, Minor, W, Rastinejad, F, Khorasanizadeh, S. | | Deposit date: | 2005-09-19 | | Release date: | 2005-12-27 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.95 Å) | | Cite: | Double chromodomains cooperate to recognize the methylated histone H3 tail.
Nature, 438, 2005
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6D35
 | | Crystal structure of Xenopus Smoothened in complex with cholesterol | | Descriptor: | CHOLESTEROL, Smoothened,Soluble cytochrome b562,Smoothened | | Authors: | Huang, P, Zheng, S, Kim, Y, Kruse, A.C, Salic, A. | | Deposit date: | 2018-04-14 | | Release date: | 2018-05-23 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (3.9 Å) | | Cite: | Structural Basis of Smoothened Activation in Hedgehog Signaling.
Cell, 174, 2018
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2DUC
 | | Crystal structure of SARS coronavirus main proteinase(3CLPRO) | | Descriptor: | Replicase polyprotein 1ab | | Authors: | Wang, H, Kim, Y.T, Muramatsu, T, Takemoto, C, Shirouzu, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 2006-07-21 | | Release date: | 2007-07-24 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | SARS-CoV 3CL protease cleaves its C-terminal autoprocessing site by novel subsite cooperativity
Proc. Natl. Acad. Sci. U.S.A., 113, 2016
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5EVC
 | | Crystal structure of putative aspartate racemase from Salmonella Typhimurium complexed with sulfate and potassium | | Descriptor: | CHLORIDE ION, FLUORIDE ION, FORMIC ACID, ... | | Authors: | Maltseva, N, Kim, Y, Stam, J, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2015-11-19 | | Release date: | 2015-12-02 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Crystal structure of putative aspartate racemase from Salmonella Typhimurium complexed with sulfate and potassium
To be published
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1JSY
 | | Crystal structure of bovine arrestin-2 | | Descriptor: | Bovine arrestin-2 (full length) | | Authors: | Milano, S.K, Pace, H.C, Kim, Y.M, Brenner, C, Benovic, J.L. | | Deposit date: | 2001-08-19 | | Release date: | 2002-03-27 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Scaffolding functions of arrestin-2 revealed by crystal structure and mutagenesis.
Biochemistry, 41, 2002
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5EYF
 | | Crystal Structure of Solute-binding Protein from Enterococcus faecium with Bound Glutamate | | Descriptor: | CHLORIDE ION, GLUTAMIC ACID, Glutamate ABC superfamily ATP binding cassette transporter, ... | | Authors: | Maltseva, N, Kim, Y, Mulligan, R, Shatsman, S, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2015-11-24 | | Release date: | 2015-12-16 | | Last modified: | 2023-02-15 | | Method: | X-RAY DIFFRACTION (1.52 Å) | | Cite: | Crystal Structure of Solute-binding Protein from Enterococcus faecium with Bound Glutamate
To Be Published
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3IQT
 | | Structure of the HPT domain of Sensor protein barA from Escherichia coli CFT073. | | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, Signal transduction histidine-protein kinase barA | | Authors: | Cuff, M.E, Rakowski, E, Kim, Y, Freeman, L, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2009-08-20 | | Release date: | 2009-09-22 | | Last modified: | 2017-11-01 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Structure of the HPT domain of Sensor protein barA from Escherichia coli CFT073.
TO BE PUBLISHED
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4IQR
 | | Multi-Domain Organization of the HNF4alpha Nuclear Receptor Complex on DNA | | Descriptor: | DNA (5'-D(*CP*CP*TP*GP*AP*CP*CP*TP*TP*TP*GP*AP*CP*CP*TP*AP*GP*TP*TP*C)-3'), DNA (5'-D(*GP*GP*AP*AP*CP*TP*AP*GP*GP*TP*CP*AP*AP*AP*GP*GP*TP*CP*AP*G)-3'), Hepatocyte nuclear factor 4-alpha, ... | | Authors: | Chandra, V, Huang, P, Kim, Y, Rastinejad, F. | | Deposit date: | 2013-01-13 | | Release date: | 2013-03-20 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Multidomain integration in the structure of the HNF-4 alpha nuclear receptor complex.
Nature, 495, 2013
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