4GV1
 
 | | PKB alpha in complex with AZD5363 | | Descriptor: | 4-amino-N-[(1S)-1-(4-chlorophenyl)-3-hydroxypropyl]-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide, GLYCEROL, RAC-alpha serine/threonine-protein kinase | | Authors: | Addie, M, Ballard, P, Bird, G, Buttar, D, Currie, G, Davies, B, Debreczeni, J, Dry, H, Dudley, P, Greenwood, R, Hatter, G, Jestel, A, Johnson, P.D, Kettle, J.G, Lane, C, Lamont, G, Leach, A, Luke, R.W.A, Ogilvie, D, Page, K, Pass, M, Steinbacher, S, Steuber, H, Pearson, S, Ruston, L. | | Deposit date: | 2012-08-30 | | Release date: | 2013-02-27 | | Last modified: | 2017-11-15 | | Method: | X-RAY DIFFRACTION (1.49 Å) | | Cite: | Discovery of 4-Amino-N-[(1S)-1-(4-chlorophenyl)-3-hydroxypropyl]-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide (AZD5363), an Orally Bioavailable, Potent Inhibitor of Akt Kinases.
J.Med.Chem., 56, 2013
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1ANT
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1DCY
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6PK6
 | | Human PRPF4B bound to benzothiophene inhibitor 329 | | Descriptor: | 4-(5-{[(2-aminophenyl)methyl]carbamoyl}thiophen-2-yl)-1-benzothiophene-2-carboxamide, SULFATE ION, Serine/threonine-protein kinase PRP4 homolog | | Authors: | Godoi, P.H.C, Santiago, A.S, Fala, A.M, Ramos, P.Z, Sriranganadane, D, Mascarello, A, Segretti, N, Azevedo, H, Guimaraes, C.R.W, Arruda, P, Elkins, J.M, Counago, R.M, Structural Genomics Consortium (SGC) | | Deposit date: | 2019-06-28 | | Release date: | 2019-08-28 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | to be published
To Be Published
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6PDN
 | | Human PIM1 bound to benzothiophene inhibitor 292 | | Descriptor: | 4-{5-[(3-aminopropyl)carbamoyl]thiophen-2-yl}-1-benzothiophene-2-carboxylic acid, GLYCEROL, Serine/threonine-protein kinase pim-1, ... | | Authors: | Godoi, P.H.C, Santiago, A.S, Fala, A.M, Ramos, P.Z, Sriranganadane, D, Mascarello, A, Segretti, N, Azevedo, H, Guimaraes, C.R.W, Arruda, P, Elkins, J.M, Counago, R.M, Structural Genomics Consortium (SGC) | | Deposit date: | 2019-06-19 | | Release date: | 2019-07-24 | | Last modified: | 2020-01-01 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Human PIM1
To Be Published
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6PDO
 | | Human PIM1 bound to benzothiophene inhibitor 354 | | Descriptor: | 4-{5-[(3-aminopropyl)carbamoyl]thiophen-2-yl}-1-benzothiophene-2-carboxamide, Peptide, Serine/threonine-protein kinase pim-1 | | Authors: | Godoi, P.H.C, Santiago, A.S, Fala, A.M, Ramos, P.Z, Sriranganadane, D, Mascarello, A, Segretti, N, Azevedo, H, Guimaraes, C.R.W, Arruda, P, Elkins, J.M, Counago, R.M, Structural Genomics Consortium (SGC) | | Deposit date: | 2019-06-19 | | Release date: | 2019-07-24 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Human PIM1
To Be Published
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7N36
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7N37
 | | Crystal structure of 3-site deamidated variant of human gamma(S)-crystallin | | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Gamma-crystallin S, MAGNESIUM ION | | Authors: | Norton-Baker, B, Mehrabi, P, Martin, R.W. | | Deposit date: | 2021-05-31 | | Release date: | 2022-03-23 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Deamidation of the human eye lens protein gamma S-crystallin accelerates oxidative aging.
Structure, 30, 2022
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7N38
 | | Crystal structure of 5-site deamidated variant of human gamma(S)-crystallin | | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Gamma-crystallin S, MAGNESIUM ION | | Authors: | Norton-Baker, B, Mehrabi, P, Martin, R.W. | | Deposit date: | 2021-05-31 | | Release date: | 2022-03-23 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.22 Å) | | Cite: | Deamidation of the human eye lens protein gamma S-crystallin accelerates oxidative aging.
Structure, 30, 2022
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7N39
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7N3A
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4FIY
 | | Crystal Structure of GlfT2 Complexed with UDP | | Descriptor: | GLYCEROL, MANGANESE (II) ION, UDP-galactofuranosyl transferase GlfT2, ... | | Authors: | Wheatley, R.W, Zheng, R.B, Lowary, T.L, Ng, K.K.S. | | Deposit date: | 2012-06-11 | | Release date: | 2012-06-20 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Tetrameric Structure of the GlfT2 Galactofuranosyltransferase Reveals a Scaffold for the Assembly of Mycobacterial Arabinogalactan.
J.Biol.Chem., 287, 2012
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7N3B
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3IO0
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1DW6
 | | Structural and kinetic analysis of drug resistant mutants of HIV-1 protease | | Descriptor: | HIV-1 PROTEASE, N-[(2R)-2-({N~5~-[amino(iminio)methyl]-L-ornithyl-L-valyl}amino)-4-methylpentyl]-L-phenylalanyl-L-alpha-glutamyl-L-alanyl-L-norleucinamide | | Authors: | Mahalingam, B, Louis, J.M, Reed, C.C, Adomat, J.M, Krouse, J, Wang, Y.F, Harrison, R.W, Weber, I.T. | | Deposit date: | 2000-01-24 | | Release date: | 2000-07-26 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | Structural and kinetic analysis of drug resistant mutants of HIV-1 protease.
Eur.J.Biochem., 263, 1999
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1E30
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1D9E
 | | STRUCTURE OF E. COLI KDO8P SYNTHASE | | Descriptor: | 3-DEOXY-D-MANNO-OCTULOSONATE 8-PHOSPHATE SYNTHASE, SULFATE ION | | Authors: | Radaev, S, Dastidar, P, Patel, M, Woodard, R.W, Gatti, D.L. | | Deposit date: | 1999-10-27 | | Release date: | 2000-05-10 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structure and mechanism of 3-deoxy-D-manno-octulosonate 8-phosphate synthase.
J.Biol.Chem., 275, 2000
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4H56
 | | Crystal structure of the Clostridium perfringens NetB toxin in the membrane inserted form | | Descriptor: | Necrotic enteritis toxin B | | Authors: | Savva, C.G, Fernandes da Costa, S.P, Bokori-Brown, M, Naylor, C, Cole, A.R, Moss, D.S, Titball, R.W, Basak, A.K. | | Deposit date: | 2012-09-18 | | Release date: | 2012-12-26 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (3.9 Å) | | Cite: | Molecular Architecture and Functional Analysis of NetB, a Pore-forming Toxin from Clostridium perfringens.
J.Biol.Chem., 288, 2013
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3I4I
 | | Crystal structure of a prokaryotic beta-1,3-1,4-glucanase (lichenase) derived from a mouse hindgut metagenome | | Descriptor: | 1,3-1,4-beta-glucanase, CALCIUM ION | | Authors: | Nakatani, Y, Nalder, T.D, Tannock, G.W, Cutfield, J.F, Jack, R.W, Carne, A. | | Deposit date: | 2009-07-01 | | Release date: | 2010-07-21 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | Crystal structure of a prokaryotic beta-1,3-1,4-glucanase (lichenase) derived from a mouse hindgut metagenome
To be Published
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1E03
 | | PLASMA ALPHA ANTITHROMBIN-III AND PENTASACCHARIDE | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 3,4-di-O-methyl-2,6-di-O-sulfo-alpha-D-glucopyranose-(1-4)-2,3-di-O-methyl-beta-D-glucopyranuronic acid-(1-4)-2,3,6-tri-O-sulfo-alpha-D-glucopyranose-(1-4)-3-O-methyl-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-methyl 2,3,6-tri-O-sulfo-alpha-D-glucopyranoside, ... | | Authors: | McCoy, A.J, Jin, L, Abrahams, J.-P, Skinner, R, Carrell, R.W. | | Deposit date: | 2000-03-09 | | Release date: | 2000-06-02 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Structure of Beta-Antithrombin and the Effect of Glycosylation on Antithrombin'S Heparin Affinity and Activity.
J.Mol.Biol., 326, 2003
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1DZH
 | | P14-FLUORESCEIN-N135Q-S380C-ANTITHROMBIN-III | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ANTITHROMBIN-III, ... | | Authors: | Mccoy, A.J, Huntington, J.A, Carrell, R.W. | | Deposit date: | 2000-02-28 | | Release date: | 2000-05-26 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | The Conformational Activation of Antithrombin. A 2. 85-A Structure of a Fluorescein Derivative Reveals an Electrostatic Link between the Hinge and Heparin Binding Regions.
J.Biol.Chem., 275, 2000
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1E05
 | | PLASMA ALPHA ANTITHROMBIN-III | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ANTITHROMBIN-III, ... | | Authors: | McCoy, A.J, Skinner, R, Abrahams, J.-P, Pei, X.Y, Carrell, R.W. | | Deposit date: | 2000-03-09 | | Release date: | 2000-06-02 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (2.62 Å) | | Cite: | Structure of Beta-Antithrombin and the Effect of Glycosylation on Antithrombin'S Heparin Affinity and Activity.
J.Mol.Biol., 326, 2003
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1DZG
 | | N135Q-S380C-ANTITHROMBIN-III | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ANTITHROMBIN-III, ... | | Authors: | McCoy, A.J, Huntington, J.A, Carrell, R.W. | | Deposit date: | 2000-02-28 | | Release date: | 2000-05-26 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | The Conformational Activation of Antithrombin. A 2. 85-A Structure of a Fluorescein Derivative Reveals an Electrostatic Link between the Hinge and Heparin Binding Regions.
J.Biol.Chem., 275, 2000
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3GJR
 | | Caspase-3 Binds Diverse P4 Residues in Peptides | | Descriptor: | Caspase-3 subunit p12, Caspase-3 subunit p17, GLYCEROL, ... | | Authors: | Fang, B, Fu, G, Agniswamy, J, Harrison, R.W, Weber, I.T. | | Deposit date: | 2009-03-09 | | Release date: | 2009-03-24 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Caspase-3 binds diverse P4 residues in peptides as revealed by crystallography and structural modeling.
Apoptosis, 14, 2009
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3GJT
 | | Caspase-3 Binds Diverse P4 Residues in Peptides | | Descriptor: | Caspase-3 subunit p12, Caspase-3 subunit p17, peptide inhibitor | | Authors: | Fang, B, Fu, G, Agniswamy, J, Harrison, R.W, Weber, I.T. | | Deposit date: | 2009-03-09 | | Release date: | 2009-03-24 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Caspase-3 binds diverse P4 residues in peptides as revealed by crystallography and structural modeling.
Apoptosis, 14, 2009
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