3GGE
 
 | | Crystal structure of the PDZ domain of PDZ domain-containing protein GIPC2 | | Descriptor: | GLYCEROL, PDZ domain-containing protein GIPC2, SULFATE ION | | Authors: | Chaikuad, A, Hozjan, V, Yue, W, Cooper, C, Elkins, J, Pike, A.C.W, Roos, A.K, Filippakopoulos, P, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Oppermann, U, Structural Genomics Consortium (SGC) | | Deposit date: | 2009-02-27 | | Release date: | 2009-03-24 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Crystal structure of the PDZ domain of PDZ domain-containing protein GIPC2
To be Published
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3G70
 | | Design and Preparation of Potent, Non-Peptidic, Bioavailable Renin Inhibitors | | Descriptor: | (1R,5S)-7-{4-[3-(2-chloro-3,6-difluorophenoxy)propyl]phenyl}-N-cyclopropyl-N-(2,3-dichlorobenzyl)-3,9-diazabicyclo[3.3.1]non-6-ene-6-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ... | | Authors: | Bezencon, O, Bur, D, Prade, L, Weller, T, Boss, C, Fischli, W. | | Deposit date: | 2009-02-09 | | Release date: | 2009-06-30 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Design and Preparation of Potent, Nonpeptidic, Bioavailable Renin Inhibitors
J.Med.Chem., 52, 2009
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3EYD
 | | Structure of HCV NS3-4A Protease with an Inhibitor Derived from a Boronic Acid | | Descriptor: | HCV NS3, HCV NS4a peptide, ZINC ION, ... | | Authors: | Venkatraman, S, Wu, W, Prongay, A.J, Girijavallabhan, V, Njoroge, F.G. | | Deposit date: | 2008-10-20 | | Release date: | 2009-02-10 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Potent inhibitors of HCV-NS3 protease derived from boronic acids.
Bioorg.Med.Chem.Lett., 19, 2009
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2HSG
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1OWK
 | | Substituted 2-Naphthamidine Inhibitors of Urokinase | | Descriptor: | 6-[(Z)-AMINO(IMINO)METHYL]-N-(1-ISOPROPYL-1,2,3,4-TETRAHYDROISOQUINOLIN-7-YL)-2-NAPHTHAMIDE, Urokinase-type plasminogen activator | | Authors: | Wendt, M.D, Rockway, T.W, Geyer, A, McClellan, W, Weitzberg, M, Zhao, X, Mantei, R, Nienaber, V.L, Stewart, K, Klinghofer, V, Giranda, V.L. | | Deposit date: | 2003-03-28 | | Release date: | 2003-09-30 | | Last modified: | 2017-10-11 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Identification of Novel Binding Interactions in the Development of Potent, Selective 2-Naphthamidine Inhibitors of Urokinase. Synthesis, Structural Analysis, and SAR of N-Phenyl Amide 6-Substitution.
J.Med.Chem., 47, 2004
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3KUZ
 | | Crystal structure of the ubiquitin like domain of PLXNC1 | | Descriptor: | Plexin-C1, UNKNOWN ATOM OR ION | | Authors: | Wang, H, Li, B, Tempel, W, Tong, Y, Guan, X, Zhong, N, Crombet, L, MacKenzie, F, Buck, M, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Bochkarev, A, Park, H, Structural Genomics Consortium (SGC) | | Deposit date: | 2009-11-28 | | Release date: | 2009-12-08 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal structure of the ubiquitin like domain of PLXNC1
to be published
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1ONO
 | | IspC Mn2+ complex | | Descriptor: | 1-deoxy-D-xylulose 5-phosphate reductoisomerase, MANGANESE (II) ION | | Authors: | Steinbacher, S, Kaiser, J, Eisenreich, W, Huber, R, Bacher, A, Rohdich, F. | | Deposit date: | 2003-02-28 | | Release date: | 2003-03-18 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural basis of fosmidomycin action revealed by the complex with 2-C-methyl-D-erythritol
4-phosphate synthase (IspC). Implications for the catalytic mechanism and anti-malaria
drug development.
J.BIOL.CHEM., 278, 2003
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2HR3
 | | Crystal structure of putative transcriptional regulator protein from Pseudomonas aeruginosa PA01 at 2.4 A resolution | | Descriptor: | Probable transcriptional regulator | | Authors: | Kirillova, O, Chruszcz, M, Evdokimova, E, Kudritska, M, Cymborowski, M, Savchenko, A, Edwards, A, Joachimiak, A, Minor, W, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2006-07-19 | | Release date: | 2006-09-19 | | Last modified: | 2022-04-13 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crystal structure of putative transcriptional regulator protein from Pseudomonas aeruginosa PA01 at 2.4 A resolution
To be Published
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1P5A
 | | Conformational Mapping of the N-terminal Peptide of HIV-1 GP41 in lipid detergent and aqueous environments using 13C-enhanced Fourier Transform Infrared Spectroscopy | | Descriptor: | Envelope polyprotein GP160 | | Authors: | Gordon, L.M, Mobley, P.W, Lee, W, Eskandari, S, Kaznessis, Y.N, Sherman, M.A, Waring, A.J. | | Deposit date: | 2003-04-25 | | Release date: | 2003-05-20 | | Last modified: | 2011-07-13 | | Method: | INFRARED SPECTROSCOPY | | Cite: | Conformational mapping of the N-terminal peptide of HIV-1 gp41 in lipid detergent and aqueous environments using 13C-enhanced Fourier transform infrared spectroscopy.
Protein Sci., 13, 2004
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3L1N
 | | Crystal structure of Mp1p ligand binding domain 2 complexd with palmitic acid | | Descriptor: | Cell wall antigen, PALMITIC ACID | | Authors: | Liao, S, Tung, E.T, Zheng, W, Chong, K, Xu, Y, Bartlam, M, Rao, Z, Yuen, K.Y. | | Deposit date: | 2009-12-14 | | Release date: | 2010-01-05 | | Last modified: | 2021-11-10 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Crystal structure of the Mp1p ligand binding domain 2 reveals its function as a fatty acid-binding protein.
J.Biol.Chem., 285, 2010
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1OU6
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1OWJ
 | | Substituted 2-Naphthamidine Inhibitors of Urokinase | | Descriptor: | 6-[(Z)-AMINO(IMINO)METHYL]-N-(1-ISOPROPYL-3,4-DIHYDROISOQUINOLIN-7-YL)-2-NAPHTHAMIDE, Urokinase-type plasminogen activator | | Authors: | Wendt, M.D, Rockway, T.W, Geyer, A, McClellan, W, Weitzberg, M, Zhao, X, Mantei, R, Nienaber, V.L, Stewart, K, Klinghofer, V, Giranda, V.L. | | Deposit date: | 2003-03-28 | | Release date: | 2003-09-30 | | Last modified: | 2017-10-11 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Identification of Novel Binding Interactions in the Development of Potent, Selective 2-Naphthamidine Inhibitors of Urokinase. Synthesis, Structural Analysis, and SAR of N-Phenyl Amide 6-Substitution.
J.Med.Chem., 47, 2004
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3KVV
 | | Trapping of an oxocarbenium ion intermediate in UP crystals | | Descriptor: | 1,4-anhydro-D-erythro-pent-1-enitol, 5-FLUOROURACIL, SULFATE ION, ... | | Authors: | Paul, D, O'Leary, S, Rajashankar, K, Bu, W, Toms, A, Settembre, E, Sanders, J, Begley, T.P, Ealick, S.E. | | Deposit date: | 2009-11-30 | | Release date: | 2010-04-28 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Glycal formation in crystals of uridine phosphorylase.
Biochemistry, 49, 2010
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1OP4
 | | Solution Structure of Neural Cadherin Prodomain | | Descriptor: | Neural-cadherin | | Authors: | Koch, A.W, Farooq, A, Shan, W, Zeng, L, Colman, D.R, Zhou, M.-M. | | Deposit date: | 2003-03-04 | | Release date: | 2004-03-16 | | Last modified: | 2022-02-23 | | Method: | SOLUTION NMR | | Cite: | Structure of the Neural (N-) Cadherin Prodomain Reveals a Cadherin Extracellular Domain-like Fold without Adhesive Characteristics
Structure, 12, 2004
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2HRO
 | | Structure of the full-lenght Enzyme I of the PTS system from Staphylococcus carnosus | | Descriptor: | Phosphoenolpyruvate-protein phosphotransferase, SULFATE ION | | Authors: | Marquez, J.A, Reinelt, S, Koch, B, Engelman, R, Hengstenberg, W, Scheffzek, K. | | Deposit date: | 2006-07-20 | | Release date: | 2006-09-19 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structure of the full-length enzyme I of the phosphoenolpyruvate-dependent sugar phosphotransferase system
J.Biol.Chem., 281, 2006
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7WTJ
 | | SARS-CoV-2 Omicron variant spike RBD in complex with Fab XGv286 | | Descriptor: | Heavy chain of XGv286, Light chain of XGv286, Spike protein S1 | | Authors: | Wang, X, Fu, W. | | Deposit date: | 2022-02-04 | | Release date: | 2022-12-14 | | Method: | ELECTRON MICROSCOPY (4.2 Å) | | Cite: | Selection and structural bases of potent broadly neutralizing antibodies from 3-dose vaccinees that are highly effective against diverse SARS-CoV-2 variants, including Omicron sublineages.
Cell Res., 32, 2022
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3L1B
 | | Complex Structure of FXR Ligand-binding domain with a tetrahydroazepinoindole compound | | Descriptor: | 1-methylethyl 8-fluoro-1,1-dimethyl-3-{[4-(3-morpholin-4-ylpropoxy)phenyl]carbonyl}-1,2,3,6-tetrahydroazepino[4,5-b]indole-5-carboxylate, Farnesoid X receptor | | Authors: | Xu, W, Lundquist, J.T. | | Deposit date: | 2009-12-11 | | Release date: | 2010-03-02 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Improvement of Physiochemical Properties of the Tetrahydroazepinoindole Series of Farnesoid X Receptor (FXR) Agonists: Beneficial Modulation of Lipids in Primates.
J.Med.Chem., 53, 2010
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7WTG
 | | SARS-CoV-2 Omicron variant spike RBD in complex with Fab XGv051 | | Descriptor: | Heavy chain of XGv051, Light chain of XGv051, Spike protein S1 | | Authors: | Wang, X, Fu, W. | | Deposit date: | 2022-02-04 | | Release date: | 2022-12-14 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | Selection and structural bases of potent broadly neutralizing antibodies from 3-dose vaccinees that are highly effective against diverse SARS-CoV-2 variants, including Omicron sublineages.
Cell Res., 32, 2022
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7WTH
 | | SARS-CoV-2 Omicron variant spike RBD in complex with Fab XGv264 | | Descriptor: | Heavy chain of XGv264, Light chain of XGv264, Spike protein S1 | | Authors: | Wang, X, Fu, W. | | Deposit date: | 2022-02-04 | | Release date: | 2022-12-14 | | Method: | ELECTRON MICROSCOPY (4.3 Å) | | Cite: | Selection and structural bases of potent broadly neutralizing antibodies from 3-dose vaccinees that are highly effective against diverse SARS-CoV-2 variants, including Omicron sublineages.
Cell Res., 32, 2022
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3FEH
 | | Crystal structure of full length centaurin alpha-1 | | Descriptor: | Centaurin-alpha-1, UNKNOWN ATOM OR ION, ZINC ION | | Authors: | Shen, L, Tong, Y, Tempel, W, MacKenzie, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Bochkarev, A, Park, H, Structural Genomics Consortium (SGC) | | Deposit date: | 2008-11-29 | | Release date: | 2008-12-23 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Phosphorylation-independent dual-site binding of the FHA domain of KIF13 mediates phosphoinositide transport via centaurin {alpha}1.
Proc.Natl.Acad.Sci.USA, 107, 2010
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2HH4
 | | NMR structure of human insulin mutant GLY-B8-D-SER, HIS-B10-ASP PRO-B28-LYS, LYS-B29-PRO, 20 structures | | Descriptor: | insulin A chain, insulin B chain | | Authors: | Hua, Q.X, Nakagawa, S, Hu, S.Q, Jia, W, Weiss, M.A. | | Deposit date: | 2006-06-27 | | Release date: | 2006-07-18 | | Last modified: | 2021-10-20 | | Method: | SOLUTION NMR | | Cite: | Toward the Active Conformation of Insulin: Stereospecific modulation of a structural switch in the B chain.
J.Biol.Chem., 281, 2006
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7WTF
 | | SARS-CoV-2 Omicron variant spike in complex with Fab XGv051 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of XGv051, ... | | Authors: | Wang, X, Fu, W. | | Deposit date: | 2022-02-04 | | Release date: | 2022-12-14 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Selection and structural bases of potent broadly neutralizing antibodies from 3-dose vaccinees that are highly effective against diverse SARS-CoV-2 variants, including Omicron sublineages.
Cell Res., 32, 2022
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2HHO
 | | NMR structure of human insulin mutant GLY-B8-SER, HIS-B10-ASP PRO-B28-LYS, LYS-B29-PRO, 20 structures | | Descriptor: | Insulin A chain, Insulin B chain | | Authors: | Hua, Q.X, Nakagawa, S, Hu, S.Q, Jia, W, Weiss, M.A. | | Deposit date: | 2006-06-28 | | Release date: | 2006-07-18 | | Last modified: | 2021-10-20 | | Method: | SOLUTION NMR | | Cite: | Toward the Active Conformation of Insulin: Stereospecific modulation of a structural switch in the B chain.
J.Biol.Chem., 281, 2006
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2HHJ
 | | Human bisphosphoglycerate mutase complexed with 2,3-bisphosphoglycerate (15 days) | | Descriptor: | (2R)-2,3-diphosphoglyceric acid, 3-PHOSPHOGLYCERIC ACID, Bisphosphoglycerate mutase, ... | | Authors: | Wang, Y, Gong, W. | | Deposit date: | 2006-06-28 | | Release date: | 2006-10-24 | | Last modified: | 2016-07-27 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Seeing the process of histidine phosphorylation in human bisphosphoglycerate mutase.
J.Biol.Chem., 281, 2006
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1QGN
 | | CYSTATHIONINE GAMMA-SYNTHASE FROM NICOTIANA TABACUM | | Descriptor: | PROTEIN (CYSTATHIONINE GAMMA-SYNTHASE), PYRIDOXAL-5'-PHOSPHATE | | Authors: | Steegborn, C, Messerschmidt, A, Laber, B, Streber, W, Huber, R, Clausen, T. | | Deposit date: | 1999-05-02 | | Release date: | 1999-08-25 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | The crystal structure of cystathionine gamma-synthase from Nicotiana tabacum reveals its substrate and reaction specificity.
J.Mol.Biol., 290, 1999
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