6E23
 
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3V2G
 | | Crystal structure of a dehydrogenase/reductase from Sinorhizobium meliloti 1021 | | Descriptor: | 3-oxoacyl-[acyl-carrier-protein] reductase, SULFATE ION | | Authors: | Agarwal, R, Chamala, S, Evans, B, Foti, R, Gizzi, A, Hillerich, B, Kar, A, LaFleur, J, Seidel, R, Villigas, G, Zencheck, W, Almo, S.C, Swaminathan, S, New York Structural Genomics Research Consortium (NYSGRC) | | Deposit date: | 2011-12-12 | | Release date: | 2012-01-04 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal structure of a dehydrogenase/reductase from Sinorhizobium meliloti 1021
To be Published
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5HLW
 | | Crystal structure of c-Met mutant Y1230H in complex with compound 14 | | Descriptor: | 1-[2-(1-ethylpiperidin-4-yl)ethyl]-3-(6-{[6-(thiophen-2-yl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}-1,3-benzothiazol-2-yl)urea, CHLORIDE ION, Hepatocyte growth factor receptor | | Authors: | Vallee, F, Pouzieux, S, Marquette, J.P, Houtmann, J. | | Deposit date: | 2016-01-15 | | Release date: | 2016-11-23 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | Discovery and Pharmacokinetic and Pharmacological Properties of the Potent and Selective MET Kinase Inhibitor 1-{6-[6-(4-Fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-ylsulfanyl]benzothiazol-2-yl}-3-(2-morpholin-4-ylethyl)urea (SAR125844).
J.Med.Chem., 59, 2016
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6E22
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5HRT
 | | Crystal structure of mouse autotaxin in complex with a DNA aptamer | | Descriptor: | CALCIUM ION, CHLORIDE ION, Ectonucleotide pyrophosphatase/phosphodiesterase family member 2, ... | | Authors: | Kato, K, Nishimasu, H, Morita, J, Ishitani, R, Nureki, O. | | Deposit date: | 2016-01-24 | | Release date: | 2016-04-06 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.997 Å) | | Cite: | Structural basis for specific inhibition of Autotaxin by a DNA aptamer
Nat.Struct.Mol.Biol., 23, 2016
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3V7D
 | | Crystal Structure of ScSkp1-ScCdc4-pSic1 peptide complex | | Descriptor: | Cell division control protein 4, Protein SIC1, Suppressor of kinetochore protein 1 | | Authors: | Tang, X, Orlicky, S, Mittag, T, Csizmok, V, Pawson, T, Forman-Kay, J, Sicheri, F, Tyers, M. | | Deposit date: | 2011-12-20 | | Release date: | 2012-05-02 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.306 Å) | | Cite: | Composite low affinity interactions dictate recognition of the cyclin-dependent kinase inhibitor Sic1 by the SCFCdc4 ubiquitin ligase.
Proc.Natl.Acad.Sci.USA, 109, 2012
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5DRJ
 | | Crystal Structure of the ER-alpha Ligand-binding Domain in complex with a dichloro-substituted, 3-methyl 2,5-diarylthiophene-core ligand 4,4'-(3-methylthiene-2,5-diyl)bis(3-chlorophenol) | | Descriptor: | 4,4'-(3-methylthiene-2,5-diyl)bis(3-chlorophenol), Estrogen receptor, Nuclear receptor coactivator 2 | | Authors: | Nwachukwu, J.C, Srinivasan, S, Zheng, Y, Wang, S, Min, J, Dong, C, Liao, Z, Cavett, V, Nowak, J, Houtman, R, Carlson, K.E, Josan, J.S, Elemento, O, Katzenellenbogen, J.A, Zhou, H.B, Nettles, K.W. | | Deposit date: | 2015-09-15 | | Release date: | 2016-05-04 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.07 Å) | | Cite: | Predictive features of ligand-specific signaling through the estrogen receptor.
Mol.Syst.Biol., 12, 2016
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3UEW
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5DWJ
 | | Crystal Structure of the ER-alpha Ligand-binding Domain in Complex with a Resorcinyl 4-Fluoro-substituted Diaryl-imine analog 4-[(E)-[(4-fluorophenyl)imino](4-hydroxyphenyl)methyl]benzene-1,3-diol | | Descriptor: | 4-[(E)-[(4-fluorophenyl)imino](4-hydroxyphenyl)methyl]benzene-1,3-diol, Estrogen receptor, Nuclear receptor coactivator 2 | | Authors: | Nwachukwu, J.C, Wright, N.J, Srinivasan, S, Zheng, Y, Wang, S, Min, J, Dong, C, Liao, Z, Cavett, V, Nowak, J, Houtman, R, Carlson, K.E, Josan, J.S, Elemento, O, Katzenellenbogen, J.A, Zhou, H.B, Nettles, K.W. | | Deposit date: | 2015-09-22 | | Release date: | 2016-05-04 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.001 Å) | | Cite: | Predictive features of ligand-specific signaling through the estrogen receptor.
Mol.Syst.Biol., 12, 2016
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5DZI
 | | Crystal Structure of the ER-alpha Ligand-binding Domain in Complex with the Cyclofenil Derivative 4,4'-{[(3S)-3-(2-hydroxyethyl)cyclohexylidene]methanediyl}diphenol | | Descriptor: | 4,4'-{[(3S)-3-(2-hydroxyethyl)cyclohexylidene]methanediyl}diphenol, Estrogen receptor, Nuclear receptor coactivator 2 | | Authors: | Nwachukwu, J.C, Srinivasan, S, Zheng, Y, Wang, S, Min, J, Dong, C, Liao, Z, Cavett, V, Nowak, J, Houtman, R, Carlson, K.E, Josan, J.S, Elemento, O, Katzenellenbogen, J.A, Zhou, H.B, Nettles, K.W. | | Deposit date: | 2015-09-25 | | Release date: | 2016-05-04 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Predictive features of ligand-specific signaling through the estrogen receptor.
Mol.Syst.Biol., 12, 2016
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7VDO
 | | Crystal structure of KRED F147L/L153Q/Y190P variant | | Descriptor: | 1,2-ETHANEDIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-alpha-(Or 20-beta)-hydroxysteroid dehydrogenase, ... | | Authors: | Cui, J, Huang, X, Wang, B, Zhao, H, Zhou, J. | | Deposit date: | 2021-09-07 | | Release date: | 2022-05-11 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.85571563 Å) | | Cite: | Photoinduced chemomimetic biocatalysis for enantioselective intermolecular radical conjugate addition
Nat Catal, 2022
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7VE7
 | | Crystal structure of KRED mutant-F147L/L153Q/Y190P/L199A/M205F/M206F | | Descriptor: | 3-alpha-(Or 20-beta)-hydroxysteroid dehydrogenase, MAGNESIUM ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Cui, J, Huang, X, Wang, B, Zhao, H, Zhou, J. | | Deposit date: | 2021-09-08 | | Release date: | 2022-05-11 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.720007 Å) | | Cite: | Photoinduced chemomimetic biocatalysis for enantioselective intermolecular radical conjugate addition
Nat Catal, 2022
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5E0W
 | | Crystal Structure of the ER-alpha Ligand-binding Domain in Complex with the Cyclofenil Derivative 4,4'-{[(3S)-3-(4-hydroxyphenyl)cyclohexylidene]methanediyl}diphenol | | Descriptor: | 4,4'-{[(3S)-3-(4-hydroxyphenyl)cyclohexylidene]methanediyl}diphenol, Estrogen receptor, Nuclear receptor coactivator 2 | | Authors: | Nwachukwu, J.C, Srinivasan, S, Zheng, Y, Wang, S, Min, J, Dong, C, Liao, Z, Cavett, V, Nowak, J, Houtman, R, Carlson, K.E, Josan, J.S, Elemento, O, Katzenellenbogen, J.A, Zhou, H.B, Nettles, K.W. | | Deposit date: | 2015-09-29 | | Release date: | 2016-05-04 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Predictive features of ligand-specific signaling through the estrogen receptor.
Mol.Syst.Biol., 12, 2016
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5DWI
 | | Crystal Structure of the ER-alpha Ligand-binding Domain in Complex with a Resorcinyl 2-Chloro-substituted Diaryl-imine analog 4-[(E)-[(2-chlorophenyl)imino](4-hydroxyphenyl)methyl]benzene-1,3-diol | | Descriptor: | 4-[(E)-[(2-chlorophenyl)imino](4-hydroxyphenyl)methyl]benzene-1,3-diol, Estrogen receptor, Nuclear receptor coactivator 2 | | Authors: | Nwachukwu, J.C, Wright, N.J, Srinivasan, S, Zheng, Y, Wang, S, Min, J, Dong, C, Liao, Z, Cavett, V, Nowak, J, Houtman, R, Carlson, K.E, Josan, J.S, Elemento, O, Katzenellenbogen, J.A, Zhou, H.B, Nettles, K.W. | | Deposit date: | 2015-09-22 | | Release date: | 2016-05-04 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.43 Å) | | Cite: | Predictive features of ligand-specific signaling through the estrogen receptor.
Mol.Syst.Biol., 12, 2016
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5DK2
 | | Fc Heterodimer E356K/D399K + K392D/K409D | | Descriptor: | Fc-III peptide, Ig gamma-1 chain C region, beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Atwell, S, Leaver-Fay, A, Froning, K.J, Aldaz, H, Pustilnik, A, Lu, F, Huang, F, Yuan, R, Dhanani, S.H, Chamberlain, A.K, Fitchett, J.R, Gutierrez, B, Hendle, J, Demarest, S.J, Kuhlman, B. | | Deposit date: | 2015-09-02 | | Release date: | 2016-03-30 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Computationally Designed Bispecific Antibodies using Negative State Repertoires.
Structure, 24, 2016
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3UOE
 | | The crystal structure of dehydrogenase from Sinorhizobium meliloti | | Descriptor: | Dehydrogenase | | Authors: | Zhang, Z, Chamala, S, Evans, B, Foti, R, Gizzi, A, Hillerich, B, Kar, A, LaFleur, J, Seidel, R, Villigas, G, Zencheck, W, Almo, S.C, Swaminathan, S, New York Structural Genomics Research Consortium (NYSGRC) | | Deposit date: | 2011-11-16 | | Release date: | 2011-11-30 | | Method: | X-RAY DIFFRACTION (2.311 Å) | | Cite: | The crystal structure of dehydrogenase from Sinorhizobium meliloti
To be Published
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5DLH
 | | SFX structure of thermolysin | | Descriptor: | CALCIUM ION, Thermolysin, ZINC ION | | Authors: | DeMirci, H.D, Sauter, N.K, Brewster, A.S, Kern, J. | | Deposit date: | 2015-09-04 | | Release date: | 2015-11-18 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.2501 Å) | | Cite: | Serial Femtosecond Crystallography of Ribosome-Antibiotic and Photosystem II Complexes at Ambient Temperature using a Concentric Electrospinning Injector.
To Be Published
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5DJZ
 | | Fc Heterodimer Design 7.8 D399M/Y407A + T366V/K409V | | Descriptor: | Fc-III peptide, Ig gamma-1 chain C region, beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose | | Authors: | Atwell, S, Leaver-Fay, A, Froning, K.J, Aldaz, H, Pustilnik, A, Lu, F, Huang, F, Yuan, R, Dhanani, S.H, Chamberlain, A.K, Fitchett, J.R, Gutierrez, B, Hendle, J, Demarest, S.J, Kuhlman, B. | | Deposit date: | 2015-09-02 | | Release date: | 2016-03-30 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Computationally Designed Bispecific Antibodies using Negative State Repertoires.
Structure, 24, 2016
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5L2J
 | | Crystal Structure of human CD1b in complex with C36-GMM | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 6-O-[(2R,3R)-3-hydroxy-2-tetradecyldocosanoyl]-alpha-L-idopyranose, ACETATE ION, ... | | Authors: | Gras, S, Shahine, A, Le Nours, J, Rossjohn, J. | | Deposit date: | 2016-08-02 | | Release date: | 2016-11-16 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | T cell receptor recognition of CD1b presenting a mycobacterial glycolipid.
Nat Commun, 7, 2016
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5HWV
 | | Crystal structure of PAS1 complexed with toluene | | Descriptor: | Sensor histidine kinase TodS, TOLUENE | | Authors: | Hwang, J, Koh, S. | | Deposit date: | 2016-01-29 | | Release date: | 2016-03-02 | | Last modified: | 2017-12-06 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Molecular Insights into Toluene Sensing in the TodS/TodT Signal Transduction System.
J. Biol. Chem., 291, 2016
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5HPE
 | | Phosphatase domain of PP5 bound to a phosphomimetic Cdc37 substrate peptide | | Descriptor: | COBALT HEXAMMINE(III), MANGANESE (II) ION, Serine/threonine-protein phosphatase 5,Hsp90 co-chaperone Cdc37 | | Authors: | Oberoi, J, Mariotti, L, Vaughan, C. | | Deposit date: | 2016-01-20 | | Release date: | 2016-07-27 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.27 Å) | | Cite: | Structural and functional basis of protein phosphatase 5 substrate specificity.
Proc.Natl.Acad.Sci.USA, 113, 2016
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4GES
 | | crystal structure of GFP-TYR151PYZ with an unnatural amino acid incorporation | | Descriptor: | Green fluorescent protein | | Authors: | Dong, J, Liu, X, Li, J, Wang, J, Gong, W. | | Deposit date: | 2012-08-02 | | Release date: | 2012-08-29 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.23 Å) | | Cite: | Genetic incorporation of a metal-chelating amino Acid as a probe for protein electron transfer.
Angew.Chem.Int.Ed.Engl., 51, 2012
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1WY3
 | | Chicken villin subdomain HP-35, K65(NLE), N68H, pH7.0 | | Descriptor: | Villin | | Authors: | Chiu, T.K, Kubelka, J, Herbst-Irmer, R, Eaton, W.A, Hofrichter, J, Davies, D.R. | | Deposit date: | 2005-02-04 | | Release date: | 2005-05-03 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (0.95 Å) | | Cite: | High-resolution x-ray crystal structures of the villin headpiece subdomain, an ultrafast folding protein.
Proc.Natl.Acad.Sci.Usa, 102, 2005
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1WY4
 | | Chicken villin subdomain HP-35, K65(NLE), N68H, pH5.1 | | Descriptor: | IODIDE ION, SODIUM ION, Villin | | Authors: | Chiu, T.K, Kubelka, J, Herbst-Irmer, R, Eaton, W.A, Hofrichter, J, Davies, D.R. | | Deposit date: | 2005-02-04 | | Release date: | 2005-05-03 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | High-resolution x-ray crystal structures of the villin headpiece subdomain, an ultrafast folding protein.
Proc.Natl.Acad.Sci.Usa, 102, 2005
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6EP3
 | | Lar controls the expression of the Listeria monocytogenes agr system and mediates virulence. | | Descriptor: | 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Lmo0651 protein, ... | | Authors: | Pinheiro, J, Lisboa, J, Carvalho, F, Carreaux, A, Santos, N, Cabral, J, Sousa, S, Cabanes, D. | | Deposit date: | 2017-10-10 | | Release date: | 2018-07-25 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | MouR controls the expression of the Listeria monocytogenes Agr system and mediates virulence.
Nucleic Acids Res., 46, 2018
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