4KIO
 
 | | Kinase domain mutant of human Itk in complex with a covalently-binding inhibitor | | Descriptor: | 1-[(3S)-3-{[4-(morpholin-4-ylmethyl)-6-([1,3]thiazolo[5,4-b]pyridin-2-ylamino)pyrimidin-2-yl]amino}pyrrolidin-1-yl]prop-2-en-1-one, 1-[(3S)-3-{[4-(morpholin-4-ylmethyl)-6-([1,3]thiazolo[5,4-b]pyridin-2-ylamino)pyrimidin-2-yl]amino}pyrrolidin-1-yl]propan-1-one, GLYCEROL, ... | | Authors: | Somers, D.O. | | Deposit date: | 2013-05-02 | | Release date: | 2013-08-21 | | Last modified: | 2014-02-12 | | Method: | X-RAY DIFFRACTION (2.18 Å) | | Cite: | Discovery of novel irreversible inhibitors of interleukin (IL)-2-inducible tyrosine kinase (Itk) by targeting cysteine 442 in the ATP pocket.
J.Biol.Chem., 288, 2013
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4K85
 | | Crystal structure of human ceramide-1-phosphate transfer protein (CPTP) in complex with 12:0 Ceramide-1-Phosphate (12:0-C1P) | | Descriptor: | (2S,3R,4E)-2-(dodecanoylamino)-3-hydroxyoctadec-4-en-1-yl dihydrogen phosphate, Glycolipid transfer protein domain-containing protein 1 | | Authors: | Simanshu, D.K, Brown, R.E, Patel, D.J. | | Deposit date: | 2013-04-17 | | Release date: | 2013-07-17 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.901 Å) | | Cite: | Non-vesicular trafficking by a ceramide-1-phosphate transfer protein regulates eicosanoids.
Nature, 500, 2013
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4K8N
 | | Crystal structure of human ceramide-1-phosphate transfer protein (CPTP) in complex with 18:1 Ceramide-1-Phosphate (18:1-C1P) | | Descriptor: | (2S,3R,4Z)-3-hydroxy-2-[(9E)-octadec-9-enoylamino]octadec-4-en-1-yl dihydrogen phosphate, Glycolipid transfer protein domain-containing protein 1 | | Authors: | Simanshu, D.K, Brown, R.E, Patel, D.J. | | Deposit date: | 2013-04-18 | | Release date: | 2013-07-17 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (3.102 Å) | | Cite: | Non-vesicular trafficking by a ceramide-1-phosphate transfer protein regulates eicosanoids.
Nature, 500, 2013
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4KF6
 | | Crystal structure of human ceramide-1-phosphate transfer protein (CPTP) in complex with 8:0 Ceramide-1-Phosphate (8:0-C1P) | | Descriptor: | (2S,3R,4E)-3-hydroxy-2-(octanoylamino)octadec-4-en-1-yl dihydrogen phosphate, Glycolipid transfer protein domain-containing protein 1 | | Authors: | Simanshu, D.K, Brown, R.E, Patel, D.J. | | Deposit date: | 2013-04-26 | | Release date: | 2013-07-17 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (3.195 Å) | | Cite: | Non-vesicular trafficking by a ceramide-1-phosphate transfer protein regulates eicosanoids.
Nature, 500, 2013
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3DNF
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6YN8
 | | Human MALT1(334-719) in complex with a tetrazole containing compound | | Descriptor: | 3-azanyl-3-methyl-~{N}-[(3~{R})-4-oxidanylidene-5-[[4-[2-(1~{H}-1,2,3,4-tetrazol-5-yl)phenyl]phenyl]methyl]-2,3-dihydro-1,5-benzoxazepin-3-yl]butanamide, Mucosa-associated lymphoid tissue lymphoma translocation protein 1 | | Authors: | Renatus, M. | | Deposit date: | 2020-04-11 | | Release date: | 2020-06-24 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (3.052 Å) | | Cite: | Stabilizing Inactive Conformations of MALT1 as an Effective Approach to Inhibit Its Protease Activity
Advanced Therapeutics, 3, 2020
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8Q8J
 | | Crystal structure of human GPX4-R152H | | Descriptor: | Glutathione peroxidase | | Authors: | Napolitano, V, Mourao, A, Kolonko, M, Bostock, M.J, Sattler, M, Conrad, M, Popowicz, G. | | Deposit date: | 2023-08-18 | | Release date: | 2024-08-28 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structure of human GPX4-R152H
To Be Published
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1XU8
 | | The 2.8 A structure of a tumour suppressing serpin | | Descriptor: | Maspin, SULFATE ION | | Authors: | Irving, J.A, Law, R.H, Ruzyla, K, Bashtannyk-Puhalovich, T.A, Kim, N, Worrall, D.M, Rossjohn, J, Whisstock, J.C. | | Deposit date: | 2004-10-25 | | Release date: | 2005-03-15 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | The high resolution crystal structure of the human tumor suppressor maspin reveals a novel conformational switch in the G-helix.
J.Biol.Chem., 280, 2005
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5CE0
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2AP5
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1T99
 | | r106g kdo8ps without substrates | | Descriptor: | 2-dehydro-3-deoxyphosphooctonate aldolase, CADMIUM ION, PHOSPHATE ION | | Authors: | Gatti, D.L. | | Deposit date: | 2004-05-16 | | Release date: | 2005-06-14 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Effects of the Arg106==>Gly mutation on the catalytic and conformational cycle of Aquifex aeolicus KDO8P synthase.
To be Published
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1T8X
 | | r106g kdo8ps with pep and a5p | | Descriptor: | 2-dehydro-3-deoxyphosphooctonate aldolase, ARABINOSE-5-PHOSPHATE, CADMIUM ION, ... | | Authors: | Gatti, D.L. | | Deposit date: | 2004-05-13 | | Release date: | 2005-06-14 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Effects of the Arg106==>Gly mutation on the catalytic and conformational cycle of Aquifex aeolicus KDO8P synthase.
To be Published
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2AP0
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3CKN
 | | Crystal Structure of a Mycobacterial Protein | | Descriptor: | MANGANESE (II) ION, Putative uncharacterized protein, SULFATE ION, ... | | Authors: | Marland, Z, Rossjohn, J. | | Deposit date: | 2008-03-16 | | Release date: | 2008-07-29 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal structure of a UDP-glucose-specific glycosyltransferase from a Mycobacterium species.
J.Biol.Chem., 283, 2008
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3CKV
 | | Crystal Structure of a Mycobacterial Protein | | Descriptor: | GLYCEROL, Putative uncharacterized protein, SULFATE ION, ... | | Authors: | Marland, Z, Rossjohn, J. | | Deposit date: | 2008-03-17 | | Release date: | 2008-07-29 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structure of a UDP-glucose-specific glycosyltransferase from a Mycobacterium species.
J.Biol.Chem., 283, 2008
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1T96
 | | r106g kdo8ps with pep | | Descriptor: | 2-dehydro-3-deoxyphosphooctonate aldolase, CADMIUM ION, PHOSPHATE ION, ... | | Authors: | Gatti, D.L. | | Deposit date: | 2004-05-14 | | Release date: | 2005-06-14 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Effects of the Arg106==>Gly mutation on the catalytic and conformational cycle of Aquifex aeolicus KDO8P synthase.
To be Published
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3CHX
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3CWL
 | | Crystal structure of alpha-1-antitrypsin, crystal form B | | Descriptor: | Alpha-1-antitrypsin, CHLORIDE ION | | Authors: | Morton, C.J, Hansen, G, Feil, S.C, Adams, J.J, Parker, M.W. | | Deposit date: | 2008-04-22 | | Release date: | 2008-09-23 | | Last modified: | 2017-10-25 | | Method: | X-RAY DIFFRACTION (2.44 Å) | | Cite: | Preventing serpin aggregation: The molecular mechanism of citrate action upon antitrypsin unfolding.
Protein Sci., 17, 2008
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3CKQ
 | | Crystal Structure of a Mycobacterial Protein | | Descriptor: | MANGANESE (II) ION, Putative uncharacterized protein, SULFATE ION, ... | | Authors: | Marland, Z, Rossjohn, J. | | Deposit date: | 2008-03-16 | | Release date: | 2008-07-29 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Crystal structure of a UDP-glucose-specific glycosyltransferase from a Mycobacterium species.
J.Biol.Chem., 283, 2008
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4U85
 | | Human Pin1 with cysteine sulfinic acid 113 | | Descriptor: | POLYETHYLENE GLYCOL (N=34), Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | | Authors: | Li, W, Zhang, Y. | | Deposit date: | 2014-08-01 | | Release date: | 2015-04-08 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Pin1 cysteine-113 oxidation inhibits its catalytic activity and cellular function in Alzheimer's disease.
Neurobiol.Dis., 76, 2015
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4U86
 | | Human Pin1 with cysteine sulfonic acid 113 | | Descriptor: | 2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | | Authors: | Li, W, Zhang, Y. | | Deposit date: | 2014-08-01 | | Release date: | 2015-04-08 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Pin1 cysteine-113 oxidation inhibits its catalytic activity and cellular function in Alzheimer's disease.
Neurobiol.Dis., 76, 2015
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2DUT
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8C24
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8C26
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2GA5
 | | yeast frataxin | | Descriptor: | Frataxin homolog, mitochondrial | | Authors: | He, Y, Alam, S.L, Proteasa, S.V, Zhang, Y, Lesuisse, E, Dancis, A. | | Deposit date: | 2006-03-07 | | Release date: | 2006-03-21 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | Yeast Frataxin Solution Structure, Iron Binding and Ferrochelatase Interaction
Biochemistry, 43, 2004
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