4IJT
 
 | | Human p53 core domain with hot spot mutation R273H (form II) | | Descriptor: | 1,2-ETHANEDIOL, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, Cellular tumor antigen p53, ... | | Authors: | Rozenberg, H, Eldar, A, Diskin-Posner, Y, Shakked, Z. | | Deposit date: | 2012-12-23 | | Release date: | 2013-08-14 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | Structural studies of p53 inactivation by DNA-contact mutations and its rescue by suppressor mutations via alternative protein-DNA interactions.
Nucleic Acids Res., 41, 2013
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4JAC
 | | Dehaloperoxidase-Hemoglobin T56S | | Descriptor: | AZIDE ION, Dehaloperoxidase A, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Franzen, S, Swartz, P.D. | | Deposit date: | 2013-02-18 | | Release date: | 2013-11-27 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.934 Å) | | Cite: | The role of T56 in controlling the flexibility of the distal histidine in dehaloperoxidase-hemoglobin from Amphitrite ornata.
Biochim.Biophys.Acta, 1834, 2013
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4CDD
 | | Human DPP1 in complex with (2S)-N-((1S)-1-cyano-2-(4-(4-cyanophenyl) phenyl)ethyl)piperidine-2-carboxamide | | Descriptor: | (2S)-N-[(2S)-1-AZANYLIDENE-3-[4-(4-CYANOPHENYL)PHENYL]PROPAN-2-YL]PIPERIDINE-2-CARBOXAMIDE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Debreczeni, J, Edman, K, Furber, M, Tiden, A, Gardiner, P, Mete, T, Ford, R, Millichip, I, Stein, L, Mather, A, Kinchin, E, Luckhurst, C, Cage, P, Sanghanee, H, Breed, J, Wissler, L. | | Deposit date: | 2013-10-31 | | Release date: | 2014-03-19 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Cathepsin C Inhibitors: Property Optimization and Identification of a Clinical Candidate.
J.Med.Chem., 57, 2014
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4CDE
 | | Human DPP1 in complex with 4-amino-N-((1S)-1-cyano-2-(4-(4- cyanophenyl)phenyl)ethyl)tetrahydropyran-4-carboxamide | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-AZANYL-N-[(2S)-1-AZANYLIDENE-3-[4-(4-CYANOPHENYL)PHENYL]PROPAN-2-YL]OXANE-4-CARBOXAMIDE, CHLORIDE ION, ... | | Authors: | Debreczeni, J, Edman, K, Furber, M, Tiden, A, Gardiner, P, Mete, T, Ford, R, Millichip, I, Stein, L, Mather, A, Kinchin, E, Luckhurst, C, Cage, P, Sanghanee, H, Breed, J, Wissler, L. | | Deposit date: | 2013-10-31 | | Release date: | 2014-03-19 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Cathepsin C Inhibitors: Property Optimization and Identification of a Clinical Candidate.
J.Med.Chem., 57, 2014
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2BV5
 | | CRYSTAL STRUCTURE OF THE HUMAN PROTEIN TYROSINE PHOSPHATASE PTPN5 AT 1.8A RESOLUTION | | Descriptor: | GLYCEROL, SULFATE ION, TYROSINE-PROTEIN PHOSPHATASE, ... | | Authors: | Debreczeni, J.E, Barr, A.J, Eswaran, J, Smee, C, Burgess, N, Gileadi, O, von Delft, F, Sundstrom, M, Arrowsmith, C, Edwards, A, Knapp, S. | | Deposit date: | 2005-06-22 | | Release date: | 2005-07-14 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal structures and inhibitor identification for PTPN5, PTPRR and PTPN7: a family of human MAPK-specific protein tyrosine phosphatases.
Biochem. J., 395, 2006
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2BZL
 | | CRYSTAL STRUCTURE OF THE HUMAN PROTEIN TYROSINE PHOSPHATASE N14 AT 1. 65 A RESOLUTION | | Descriptor: | 1,2-ETHANEDIOL, SULFATE ION, TYROSINE-PROTEIN PHOSPHATASE, ... | | Authors: | Debreczeni, J.E, Barr, A, Eswaran, J, Das, S, Burgess, N, Longman, E, Fedorov, O, Gileadi, O, von Delft, F, Sundstrom, M, Arrowsmith, C, Weigelt, J, Edwards, A, Knapp, S. | | Deposit date: | 2005-08-18 | | Release date: | 2005-09-13 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Crystal Structure of Human Protein Tyrosine Phosphatase 14 (Ptpn14) at 1.65-A Resolution.
Proteins, 63, 2006
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2CDZ
 | | CRYSTAL STRUCTURE OF THE HUMAN P21-ACTIVATED KINASE 4 IN COMPLEX WITH CGP74514A | | Descriptor: | CHLORIDE ION, N2-[(1R,2S)-2-AMINOCYCLOHEXYL]-N6-(3-CHLOROPHENYL)-9-ETHYL-9H-PURINE-2,6-DIAMINE, SERINE/THREONINE-PROTEIN KINASE PAK 4, ... | | Authors: | Debreczeni, J.E, Ugochukwu, E, Eswaran, J, Filippakopoulos, P, Das, S, Fedorov, O, Sundstrom, M, Arrowsmith, C, Weigelt, J, Edwards, A, von Delft, F, Knapp, S. | | Deposit date: | 2006-01-31 | | Release date: | 2006-02-08 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal Structures of the P21-Activated Kinases Pak4, Pak5, and Pak6 Reveal Catalytic Domain Plasticity of Active Group II Paks.
Structure, 15, 2007
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2C7S
 | | Crystal structure of human protein tyrosine phosphatase kappa at 1.95A resolution | | Descriptor: | ACETATE ION, RECEPTOR-TYPE TYROSINE-PROTEIN PHOSPHATASE KAPPA | | Authors: | Debreczeni, J.E, Ugochukwu, E, Eswaran, J, Barr, A, Das, S, Burgess, N, Gileadi, O, Longman, E, von Delft, F, Knapp, S, Sundstron, M, Arrowsmith, C, Weigelt, J, Edwards, A. | | Deposit date: | 2005-11-28 | | Release date: | 2007-01-02 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | The crystal structure of human receptor protein tyrosine phosphatase kappa phosphatase domain 1.
Protein Sci., 15, 2006
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4D2S
 | | Human TTK in complex with a Dyrk1B inhibitor | | Descriptor: | DUAL SPECIFICITY PROTEIN KINASE TTK, N-{2-methoxy-4-[(1-methylpiperidin-4-yl)oxy]phenyl}-4-(1H-pyrrolo[2,3-c]pyridin-3-yl)pyrimidin-2-amine | | Authors: | Debreczeni, J.E, Kettle, J.G, Ballard, P, Bardelle, C, Butterworth, S, Colclough, N, Critchlow, S.E, Fairley, G, Fillery, S, Graham, M.A, Goodwin, L, Guichard, S, Hudson, K, Mahmood, A, Vincent, J, Ward, R.A, Whittaker, D. | | Deposit date: | 2014-05-12 | | Release date: | 2015-04-22 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Discovery and Optimization of a Novel Series of Dyrk1B Kinase Inhibitors to Explore a Mek Resistance Hypothesis.
J.Med.Chem., 58, 2015
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2BVA
 | | Crystal structure of the human P21-activated kinase 4 | | Descriptor: | P21-ACTIVATED KINASE 4 | | Authors: | Debreczeni, J.E, Bunkoczi, G, Eswaran, J, Filippakopoulos, P, Das, S, Fedorov, O, Sundstrom, M, Arrowsmith, C, Edwards, A, von Delft, F, Knapp, S. | | Deposit date: | 2005-06-23 | | Release date: | 2005-07-14 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal Structures of the P21-Activated Kinases Pak4, Pak5, and Pak6 Reveal Catalytic Domain Plasticity of Active Group II Paks.
Structure, 15, 2007
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4D2R
 | | Human IGF in complex with a Dyrk1B inhibitor | | Descriptor: | CHLORIDE ION, INSULIN-LIKE GROWTH FACTOR 1 RECEPTOR, N-{2-methoxy-4-[(1-methylpiperidin-4-yl)oxy]phenyl}-4-(1H-pyrrolo[2,3-c]pyridin-3-yl)pyrimidin-2-amine | | Authors: | Debreczeni, J.E, Kettle, J.G, Ballard, P, Bardelle, C, Butterworth, S, Colclough, N, Critchlow, S.E, Fairley, G, Fillery, S, Graham, M.A, Goodwin, L, Guichard, S, Hudson, K, Mahmood, A, Vincent, J, Ward, R.A, Whittaker, D. | | Deposit date: | 2014-05-12 | | Release date: | 2015-04-22 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Discovery and Optimization of a Novel Series of Dyrk1B Kinase Inhibitors to Explore a Mek Resistance Hypothesis.
J.Med.Chem., 58, 2015
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4CDC
 | | Human DPP1 in complex with (2S)-2-amino-N-((1S)-1-cyano-2-(4- phenylphenyl)ethyl)butanamide | | Descriptor: | (2S)-2-azanyl-N-[(2S)-1-azanylidene-3-(4-phenylphenyl)propan-2-yl]butanamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ... | | Authors: | Debreczeni, J, Edman, K, Furber, M, Tiden, A, Gardiner, P, Mete, T, Ford, R, Millichip, I, Stein, L, Mather, A, Kinchin, E, Luckhurst, C, Cage, P, Sanghanee, H, Breed, J, Wissler, L. | | Deposit date: | 2013-10-31 | | Release date: | 2014-03-19 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Cathepsin C Inhibitors: Property Optimization and Identification of a Clinical Candidate.
J.Med.Chem., 57, 2014
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2V9B
 | | X-ray structure of viscotoxin B2 from Viscum album | | Descriptor: | SULFATE ION, VISCOTOXIN-B | | Authors: | Debreczeni, J.E, Pal, A, Kahle, B, Zeeck, A, Sheldrick, G.M. | | Deposit date: | 2007-08-23 | | Release date: | 2008-06-17 | | Last modified: | 2019-07-24 | | Method: | X-RAY DIFFRACTION (1.05 Å) | | Cite: | Structures of viscotoxins A1 and B2 from European mistletoe solved using native data alone.
Acta Crystallogr. D Biol. Crystallogr., 64, 2008
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2WN9
 | | Crystal structure of Aplysia ACHBP in complex with 4-0H-DMXBA | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-[(E)-5,6-DIHYDRO-2,3'-BIPYRIDIN-3(4H)-YLIDENEMETHYL]-3-METHOXYPHENOL, SOLUBLE ACETYLCHOLINE RECEPTOR, ... | | Authors: | Sulzenbacher, G, Hibbs, R, Shi, J, Talley, T, Conrod, S, Kem, W, Taylor, P, Marchot, P, Bourne, Y. | | Deposit date: | 2009-07-07 | | Release date: | 2009-09-01 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Structural determinants for interaction of partial agonists with acetylcholine binding protein and neuronal alpha7 nicotinic acetylcholine receptor.
Embo J., 28, 2009
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2C9W
 | | CRYSTAL STRUCTURE OF SOCS-2 IN COMPLEX WITH ELONGIN-B AND ELONGIN-C AT 1.9A RESOLUTION | | Descriptor: | NICKEL (II) ION, SULFATE ION, SUPPRESSOR OF CYTOKINE SIGNALING 2, ... | | Authors: | Debreczeni, J.E, Bullock, A, Amos, A, Savitsky, P, Barr, A, Burgess, N, Sundstrom, M, Weigelt, J, Arrowsmith, C, Edwards, A, Knapp, S. | | Deposit date: | 2005-12-14 | | Release date: | 2006-02-22 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal structure of the SOCS2-elongin C-elongin B complex defines a prototypical SOCS box ubiquitin ligase.
Proc. Natl. Acad. Sci. U.S.A., 103, 2006
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2WNL
 | | CRYSTAL STRUCTURE OF APLYSIA ACHBP IN COMPLEX WITH ANABASEINE | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 3,4,5,6-tetrahydro-2,3'-bipyridine, 5-amino-1-pyridin-3-ylpentan-1-one, ... | | Authors: | Sulzenbacher, G, Hibbs, R, Shi, J, Talley, T, Conrod, S, Kem, W, Taylor, P, Marchot, P, Bourne, Y. | | Deposit date: | 2009-07-09 | | Release date: | 2009-09-01 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structural determinants for interaction of partial agonists with acetylcholine binding protein and neuronal alpha7 nicotinic acetylcholine receptor.
EMBO J., 28, 2009
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4CDF
 | | Human DPP1 in complex with (2S,4S)-N-((1S)-1-cyano-2-(4-(4- cyanophenyl)phenyl)ethyl)-4-hydroxy-piperidine-2-carboxamide | | Descriptor: | (2S,4S)-N-[(2S)-1-azanylidene-3-[4-(4-cyanophenyl)phenyl]propan-2-yl]-4-oxidanyl-piperidine-2-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ... | | Authors: | Debreczeni, J, Edman, K, Furber, M, Tiden, A, Gardiner, P, Mete, T, Ford, R, Millichip, I, Stein, L, Mather, A, Kinchin, E, Luckhurst, C, Cage, P, Sanghanee, H, Breed, J, Wissler, L. | | Deposit date: | 2013-10-31 | | Release date: | 2014-03-19 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Cathepsin C Inhibitors: Property Optimization and Identification of a Clinical Candidate.
J.Med.Chem., 57, 2014
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2WSP
 | | Thermotoga maritima alpha-L-fucosynthase, TmD224G, in complex with alpha-L-Fuc-(1-2)-beta-L-Fuc-N3 | | Descriptor: | ALPHA-L-FUCOSIDASE, PUTATIVE, alpha-L-fucopyranose-(1-2)-beta-L-fucosyl-azide | | Authors: | Sulzenbacher, G, Lipski, A, Cobucci-Ponzano, B, Conte, F, Bedini, E, Corsaro, M.M, Parrilli, M, Dal Piaz, F, Lepore, L, Rossi, M, Moracci, M. | | Deposit date: | 2009-09-08 | | Release date: | 2010-01-19 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Beta-Glycosyl Azides as Substrates for Alpha-Glycosynthases: Preparation of Novel Efficient Alpha-L-Fucosynthases
Chem.Biol., 16, 2009
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2WNC
 | | Crystal structure of Aplysia ACHBP in complex with tropisetron | | Descriptor: | (3-ENDO)-8-METHYL-8-AZABICYCLO[3.2.1]OCT-3-YL 1H-INDOLE-3-CARBOXYLATE, Soluble acetylcholine receptor | | Authors: | Sulzenbacher, G, Hibbs, R, Shi, J, Talley, T, Conrod, S, Kem, W, Taylor, P, Marchot, P, Bourne, Y. | | Deposit date: | 2009-07-08 | | Release date: | 2009-09-01 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural determinants for interaction of partial agonists with acetylcholine binding protein and neuronal alpha7 nicotinic acetylcholine receptor.
EMBO J., 28, 2009
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2WNJ
 | | CRYSTAL STRUCTURE OF APLYSIA ACHBP IN COMPLEX WITH DMXBA | | Descriptor: | (3E)-3-[(2,4-DIMETHOXYPHENYL)METHYLIDENE]-3,4,5,6-TETRAHYDRO-2,3'-BIPYRIDINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, SOLUBLE ACETYLCHOLINE RECEPTOR, ... | | Authors: | Sulzenbacher, G, Hibbs, R, Shi, J, Talley, T, Conrod, S, Kem, W, Taylor, P, Marchot, P, Bourne, Y. | | Deposit date: | 2009-07-09 | | Release date: | 2009-09-01 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural Determinants for Interaction of Partial Agonists with Acetylcholine Binding Protein and Neuronal Alpha7 Nicotinic Acetylcholine Receptor.
Embo J., 28, 2009
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3QJ6
 | | The crystal structure of PWWP domain of human Hepatoma-derived growth factor 2 in complex with H3K79me3 peptide | | Descriptor: | H3K79me3, Hepatoma-derived growth factor-related protein 2, SULFATE ION, ... | | Authors: | Zeng, H, Amaya, M.F, Tempel, W, Walker, J.R, Mackenzie, F, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Min, J, Wu, H, Structural Genomics Consortium (SGC) | | Deposit date: | 2011-01-28 | | Release date: | 2011-02-23 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural and Histone Binding Ability Characterizations of Human PWWP Domains.
Plos One, 6, 2011
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3QKJ
 | | The PWWP domain of human DNA (CYTOSINE-5-)-METHYLTRANSFERASE 3 BETA in complex with a bis-tris molecule | | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DNA cytosine-5 methyltransferase 3 beta isoform 6 variant, SULFATE ION | | Authors: | Zeng, H, Amaya, M.F, Mackenzie, F, Weigelt, J, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Botchkarev, A, Min, J, Wu, H, Structural Genomics Consortium (SGC) | | Deposit date: | 2011-02-01 | | Release date: | 2011-03-09 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.04 Å) | | Cite: | Structural and Histone Binding Ability Characterizations of Human PWWP Domains.
Plos One, 6, 2011
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3QBY
 | | Crystal structure of the PWWP domain of human Hepatoma-derived growth factor 2 | | Descriptor: | H4K20me3 Histone H4 Peptide, Hepatoma-derived growth factor-related protein 2, SULFATE ION, ... | | Authors: | Zeng, H, Tempel, W, Amaya, M.F, Adams-Cioaba, M.A, Mackenzie, F, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Min, J, Wu, H, Structural Genomics Consortium (SGC) | | Deposit date: | 2011-01-14 | | Release date: | 2011-02-09 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Structural and Histone Binding Ability Characterizations of Human PWWP Domains.
Plos One, 6, 2011
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5U5S
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7WN6
 | | Cryo-EM structure of VWF D'D3 dimer (R1136M/E1143M mutant) complexed with D1D2 at 3.29 angstron resolution (2 units) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, von Willebrand antigen 2, ... | | Authors: | Zeng, J.W, Shu, Z.M, Zhou, A.W. | | Deposit date: | 2022-01-17 | | Release date: | 2022-05-18 | | Method: | ELECTRON MICROSCOPY (3.29 Å) | | Cite: | Structural mechanism of VWF D'D3 dimer formation.
Cell Discov, 8, 2022
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