2FO0
 
 | | Organization of the SH3-SH2 Unit in Active and Inactive Forms of the c-Abl Tyrosine Kinase | | Descriptor: | 6-(2,6-DICHLOROPHENYL)-2-{[3-(HYDROXYMETHYL)PHENYL]AMINO}-8-METHYLPYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONE, GLYCEROL, MYRISTIC ACID, ... | | Authors: | Nagar, B, Hantschel, O, Seeliger, M, Davies, J.M, Weis, W.I, Superti-Furga, G, Kuriyan, J. | | Deposit date: | 2006-01-12 | | Release date: | 2006-03-21 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.27 Å) | | Cite: | Organization of the SH3-SH2 unit in active and inactive forms of the c-Abl tyrosine kinase.
Mol.Cell, 21, 2006
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1C3D
 | | X-RAY CRYSTAL STRUCTURE OF C3D: A C3 FRAGMENT AND LIGAND FOR COMPLEMENT RECEPTOR 2 | | Descriptor: | C3D, GLYCEROL | | Authors: | Nagar, B, Jones, R.G, Diefenbach, R.J, Isenman, D.E, Rini, J.M. | | Deposit date: | 1998-05-19 | | Release date: | 1998-10-07 | | Last modified: | 2018-03-14 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | X-ray crystal structure of C3d: a C3 fragment and ligand for complement receptor 2.
Science, 280, 1998
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1EDH
 | | E-CADHERIN DOMAINS 1 AND 2 IN COMPLEX WITH CALCIUM | | Descriptor: | CALCIUM ION, E-CADHERIN, MERCURY (II) ION | | Authors: | Nagar, B, Overduin, M, Ikura, M, Rini, J.M. | | Deposit date: | 1996-05-15 | | Release date: | 1997-01-11 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural basis of calcium-induced E-cadherin rigidification and dimerization.
Nature, 380, 1996
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1IEP
 | | CRYSTAL STRUCTURE OF THE C-ABL KINASE DOMAIN IN COMPLEX WITH STI-571. | | Descriptor: | 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE, CHLORIDE ION, PROTO-ONCOGENE TYROSINE-PROTEIN KINASE ABL | | Authors: | Nagar, B, Bornmann, W, Schindler, T, Clarkson, B, Kuriyan, J. | | Deposit date: | 2001-04-10 | | Release date: | 2001-04-18 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystal structures of the kinase domain of c-Abl in complex with the small molecule inhibitors PD173955 and imatinib (STI-571)
Cancer Res., 62, 2002
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1OPK
 | | Structural basis for the auto-inhibition of c-Abl tyrosine kinase | | Descriptor: | 6-(2,6-DICHLOROPHENYL)-2-{[3-(HYDROXYMETHYL)PHENYL]AMINO}-8-METHYLPYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONE, GLYCEROL, MYRISTIC ACID, ... | | Authors: | Nagar, B, Hantschel, O, Young, M.A, Scheffzek, K, Veach, D, Bornmann, W, Clarkson, B, Superti-Furga, G, Kuriyan, J. | | Deposit date: | 2003-03-06 | | Release date: | 2003-04-08 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural basis for the autoinhibition of c-Abl tyrosine kinase
Cell(Cambridge,Mass.), 112, 2003
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1OPJ
 | | Structural basis for the auto-inhibition of c-Abl tyrosine kinase | | Descriptor: | 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE, CHLORIDE ION, MYRISTIC ACID, ... | | Authors: | Nagar, B, Hantschel, O, Young, M.A, Scheffzek, K, Veach, D, Bornmann, W, Clarkson, B, Superti-Furga, G, Kuriyan, J. | | Deposit date: | 2003-03-06 | | Release date: | 2003-04-08 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Structural basis for the autoinhibition of c-Abl tyrosine kinase
Cell(Cambridge,Mass.), 112, 2003
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1OPL
 | | Structural basis for the auto-inhibition of c-Abl tyrosine kinase | | Descriptor: | 6-(2,6-DICHLOROPHENYL)-2-{[3-(HYDROXYMETHYL)PHENYL]AMINO}-8-METHYLPYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONE, MYRISTIC ACID, proto-oncogene tyrosine-protein kinase | | Authors: | Nagar, B, Hantschel, O, Young, M.A, Scheffzek, K, Veach, D, Bornmann, W, Clarkson, B, Superti-Furga, G, Kuriyan, J. | | Deposit date: | 2003-03-06 | | Release date: | 2003-04-08 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (3.42 Å) | | Cite: | Structural basis for the autoinhibition of c-Abl tyrosine kinase
Cell(Cambridge,Mass.), 112, 2003
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1M52
 | | Crystal Structure of the c-Abl Kinase domain in complex with PD173955 | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 6-(2,6-DICHLORO-PHENYL)-8-METHYL-2-(3-METHYLSULFANYL-PHENYLAMINO)-8H-PYRIDO[2,3-D]PYRIMIDIN-7-ONE, PROTO-ONCOGENE TYROSINE-PROTEIN KINASE ABL1 | | Authors: | Nagar, B, Bornmann, W, Pellicena, P, Schindler, T, Veach, D, Miller, W.T, Clarkson, B, Kuriyan, J. | | Deposit date: | 2002-07-08 | | Release date: | 2002-09-18 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Crystal Structures of the Kinase Domain of c-Abl in Complex with the Small Molecule Inhibitors PD173955 and Imatinib (STI-571)
Cancer Res., 62, 2002
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1XA6
 | | Crystal Structure of the Human Beta2-Chimaerin | | Descriptor: | Beta2-chimaerin, ZINC ION | | Authors: | Canagarajah, B, Leskow, F.C, Ho, J.Y, Mischak, H, Saidi, L.F, Kazanietz, M.G, Hurley, J.H. | | Deposit date: | 2004-08-25 | | Release date: | 2004-11-23 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Structural mechanism for lipid activation of the Rac-specific GAP, beta2-chimaerin.
Cell(Cambridge,Mass.), 119, 2004
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5KAR
 | | Murine acid sphingomyelinase-like phosphodiesterase 3b (SMPDL3B) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Acid sphingomyelinase-like phosphodiesterase 3b, ... | | Authors: | Gorelik, A, Illes, K, Heinz, L.X, Superti-Furga, G, Nagar, B. | | Deposit date: | 2016-06-02 | | Release date: | 2016-10-05 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.142 Å) | | Cite: | Crystal Structure of the Acid Sphingomyelinase-like Phosphodiesterase SMPDL3B Provides Insights into Determinants of Substrate Specificity.
J.Biol.Chem., 291, 2016
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8DU5
 | | Murine sialidase-1 (NEU1) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Sialidase-1, ... | | Authors: | Gorelik, A, Illes, K, Nagar, B. | | Deposit date: | 2022-07-26 | | Release date: | 2023-05-31 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (3.5 Å) | | Cite: | Structure of the immunoregulatory sialidase NEU1.
Sci Adv, 9, 2023
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5VEN
 | | Murine ectonucleotide pyrophosphatase / phosphodiesterase 5 (ENPP5, NPP5) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Ectonucleotide pyrophosphatase/phosphodiesterase family member 5, ... | | Authors: | Gorelik, A, Randriamihaja, A, Illes, K, Nagar, B. | | Deposit date: | 2017-04-05 | | Release date: | 2017-09-20 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.69 Å) | | Cite: | A key tyrosine substitution restricts nucleotide hydrolysis by the ectoenzyme NPP5.
FEBS J., 284, 2017
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5VEO
 | | Murine ectonucleotide pyrophosphatase / phosphodiesterase 5 (ENPP5, NPP5), inactive (T72A), in complex with AMP | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ADENOSINE MONOPHOSPHATE, ... | | Authors: | Gorelik, A, Randriamihaja, A, Illes, K, Nagar, B. | | Deposit date: | 2017-04-05 | | Release date: | 2017-09-20 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.53 Å) | | Cite: | A key tyrosine substitution restricts nucleotide hydrolysis by the ectoenzyme NPP5.
FEBS J., 284, 2017
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5VEM
 | | Human ectonucleotide pyrophosphatase / phosphodiesterase 5 (ENPP5, NPP5) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Ectonucleotide pyrophosphatase/phosphodiesterase family member 5, ... | | Authors: | Gorelik, A, Randriamihaja, A, Illes, K, Nagar, B. | | Deposit date: | 2017-04-05 | | Release date: | 2017-09-20 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | A key tyrosine substitution restricts nucleotide hydrolysis by the ectoenzyme NPP5.
FEBS J., 284, 2017
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6DXX
 | | Human N-acylethanolamine-hydrolyzing acid amidase (NAAA) in complex with non-covalent benzothiazole-piperazine inhibitor ARN19702, in presence of Triton X-100 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-{2-[4-(1,1,3,3-TETRAMETHYLBUTYL)PHENOXY]ETHOXY}ETHANOL, ... | | Authors: | Gorelik, A, Gebai, A, Illes, K, Piomelli, D, Nagar, B. | | Deposit date: | 2018-07-01 | | Release date: | 2018-09-26 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Molecular mechanism of activation of the immunoregulatory amidase NAAA.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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6DEU
 | | Human caspase-6 A109T | | Descriptor: | Caspase-6 | | Authors: | Tubeleviciute-Aydin, A, Beautrait, A, Lynham, J, Sharma, G, Gorelik, A, Deny, L.J, Soya, N, Lukacs, G.L, Nagar, B, Marinier, A, LeBlanc, A.C. | | Deposit date: | 2018-05-13 | | Release date: | 2019-03-27 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.796 Å) | | Cite: | Identification of Allosteric Inhibitors against Active Caspase-6.
Sci Rep, 9, 2019
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6DY0
 | | Rabbit N-acylethanolamine-hydrolyzing acid amidase (NAAA) covalently bound to beta-lactam inhibitor ARN726, in presence of Triton X-100 | | Descriptor: | (2S)-3-amino-2-{[(4-cyclohexylbutoxy)carbonyl]amino}propanethioic S-acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-{2-[4-(1,1,3,3-TETRAMETHYLBUTYL)PHENOXY]ETHOXY}ETHANOL, ... | | Authors: | Gorelik, A, Gebai, A, Illes, K, Piomelli, D, Nagar, B. | | Deposit date: | 2018-07-01 | | Release date: | 2018-09-26 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (3.014 Å) | | Cite: | Molecular mechanism of activation of the immunoregulatory amidase NAAA.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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6DDT
 | | mouse beta-mannosidase (MANBA) | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Gytz, H, Liang, J, Liang, Y, Gorelik, A, Illes, K, Nagar, B. | | Deposit date: | 2018-05-10 | | Release date: | 2019-01-09 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | The structure of mammalian beta-mannosidase provides insight into beta-mannosidosis and nystagmus.
FEBS J., 286, 2019
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6XKI
 | | Crystal structure of eIF4A-I in complex with RNA bound to des-MePateA, a pateamine A analog | | Descriptor: | (3S,6Z,8E,11S,15R)-15-amino-3-[(1E,3E,5E)-7-(dimethylamino)-2,5-dimethylhepta-1,3,5-trien-1-yl]-9,11-dimethyl-4,12-dioxa-20-thia-21-azabicyclo[16.2.1]henicosa-1(21),6,8,18-tetraene-5,13-dione, Eukaryotic initiation factor 4A-I, MAGNESIUM ION, ... | | Authors: | Liang, J, Naineni, S.K, Pelletier, J, Nagar, B. | | Deposit date: | 2020-06-26 | | Release date: | 2021-01-06 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.87 Å) | | Cite: | Functional mimicry revealed by the crystal structure of an eIF4A:RNA complex bound to the interfacial inhibitor, desmethyl pateamine A.
Cell Chem Biol, 28, 2021
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6WG5
 | | Human ectonucleoside triphosphate diphosphohydrolase 4 (ENTPD4, NTPDase 4) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Ectonucleoside triphosphate diphosphohydrolase 4 | | Authors: | Gorelik, A, Labriola, J.M, Illes, K, Nagar, B. | | Deposit date: | 2020-04-04 | | Release date: | 2020-08-12 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Crystal structure of the nucleotide-metabolizing enzyme NTPDase4.
Protein Sci., 29, 2020
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7SJ2
 | | N-acetylglucosamine-1-phosphotransferase (GNPT) alpha and beta subunits (GNPTAB) catalytic domain, from zebrafish, in complex with uridine diphosphate N-acetylglucosamine (UDP-GlcNAc) and magnesium | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | Authors: | Gorelik, A, Illes, K, Nagar, B. | | Deposit date: | 2021-10-15 | | Release date: | 2022-05-25 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structures of the mannose-6-phosphate pathway enzyme, GlcNAc-1-phosphotransferase.
Proc.Natl.Acad.Sci.USA, 119, 2022
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2OIQ
 | | Crystal Structure of chicken c-Src kinase domain in complex with the cancer drug imatinib. | | Descriptor: | 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE, GLYCEROL, Proto-oncogene tyrosine-protein kinase Src | | Authors: | Seeliger, M.A, Nagar, B, Frank, F, Cao, X, Henderson, M.N, Kuriyan, J. | | Deposit date: | 2007-01-11 | | Release date: | 2007-03-20 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.07 Å) | | Cite: | c-Src Binds to the Cancer Drug Imatinib with an Inactive Abl/c-Kit Conformation and a Distributed Thermodynamic Penalty.
Structure, 15, 2007
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5HQN
 | | Catalytic domain of murine Acid Sphingomyelinase (ASMase, ASM, SMPD1) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Gorelik, A, Illes, K, Heinz, L.X, Superti-Furga, G, Nagar, B. | | Deposit date: | 2016-01-21 | | Release date: | 2016-07-06 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Crystal structure of mammalian acid sphingomyelinase.
Nat Commun, 7, 2016
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5KAS
 | | Murine acid sphingomyelinase-like phosphodiesterase 3b (SMPDL3B) with phosphocholine | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Acid sphingomyelinase-like phosphodiesterase 3b, ... | | Authors: | Gorelik, A, Illes, K, Heinz, L.X, Superti-Furga, G, Nagar, B. | | Deposit date: | 2016-06-02 | | Release date: | 2016-10-05 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.619 Å) | | Cite: | Crystal Structure of the Acid Sphingomyelinase-like Phosphodiesterase SMPDL3B Provides Insights into Determinants of Substrate Specificity.
J.Biol.Chem., 291, 2016
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6U11
 | | Xenopus laevis N-acetylglucosamine-1-phosphodiester alpha-N-acetylglucosaminidase (NAGPA) (C46S C219S C453S C480S C486S) with CTD mostly flexible | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Gorelik, A, Illes, K, Nagar, B. | | Deposit date: | 2019-08-15 | | Release date: | 2020-02-19 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Crystal Structure of the Mannose-6-Phosphate Uncovering Enzyme.
Structure, 28, 2020
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