1Z40
| AMA1 from Plasmodium falciparum | Descriptor: | CHLORIDE ION, apical membrane antigen 1 precursor | Authors: | Bai, T, Becker, M, Gupta, A, Strike, P, Murphy, V.J, Anders, R.F, Batchelor, A.H. | Deposit date: | 2005-03-14 | Release date: | 2005-08-16 | Last modified: | 2018-02-14 | Method: | X-RAY DIFFRACTION (1.901 Å) | Cite: | Structure of AMA1 from Plasmodium falciparum reveals a clustering of polymorphisms that surround a conserved hydrophobic pocket Proc.Natl.Acad.Sci.Usa, 102, 2005
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5YRR
| The crystal structure of Phosphopantetheine adenylyltransferase from Acinetobacter baumannii with Coenzyme A at 2.88 A resolution | Descriptor: | COENZYME A, Phosphopantetheine adenylyltransferase, SULFATE ION | Authors: | Bairagya, H.R, Gupta, A, Iqbal, N, Kaur, P, Sharma, S, Singh, T.P. | Deposit date: | 2017-11-09 | Release date: | 2017-11-22 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.88 Å) | Cite: | The crystal structure of Phosphopantetheine adenylyltransferase from Acinetobacter baumannii with Coenzyme A at 2.88 A resolution To Be Published
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6A7D
| Crystal structure of the complex of Phosphopantetheine adenylyltransferase from Acinetobacter baumannii with Dephospho Coenzyme A at 2.74 A resolution | Descriptor: | CHLORIDE ION, DEPHOSPHO COENZYME A, MAGNESIUM ION, ... | Authors: | Singh, P.K, Gupta, A, Kaur, P, Sharma, S, Singh, T.P. | Deposit date: | 2018-07-02 | Release date: | 2018-07-18 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.74 Å) | Cite: | Crystal structure of the complex of Phosphopantetheine adenylyltransferase from Acinetobacter baumannii with Dephospho Coenzyme A at 2.74 A resolution To Be Published
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6A6D
| Crystal structure of the complex of Phosphopantetheine adenylyltransferase from Acinetobacter baumannii with Dephospho Coenzyme A at 2.90A resolution | Descriptor: | DEPHOSPHO COENZYME A, MAGNESIUM ION, Phosphopantetheine adenylyltransferase, ... | Authors: | Singh, P.K, Gupta, A, Kaur, P, Sharma, S, Singh, T.P. | Deposit date: | 2018-06-27 | Release date: | 2018-07-11 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Crystal structure of the complex of Phosphopantetheine adenylyltransferase from Acinetobacter baumannii with Dephospho Coenzyme A at 2.90A resolution To Be Published
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5Z1M
| Crystal structure of the complex of trimeric Phosphopantetheine adenylyltransferase from Acinetobacter baumannii with citrate ion at 1.87 A resolution | Descriptor: | CITRIC ACID, Phosphopantetheine adenylyltransferase | Authors: | Singh, P.K, Gupta, A, Kaur, P, Sharma, S, Singh, T.P. | Deposit date: | 2017-12-26 | Release date: | 2018-02-14 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | Crystal structure of the complex of trimeric Phosphopantetheine adenylyltransferase from Acinetobacter baumannii with citrate ion at 1.87 A resolution To Be Published
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6A75
| Crystal structure of the complex of Phosphopantetheine adenylyltransferase from Acinetobacter baumannii with Dephospho Coenzyme A at 2.75 A resolution | Descriptor: | CHLORIDE ION, DEPHOSPHO COENZYME A, MAGNESIUM ION, ... | Authors: | Singh, P.K, Gupta, A, Kaur, P, Sharma, S, Singh, T.P. | Deposit date: | 2018-07-02 | Release date: | 2018-07-18 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Crystal structure of the complex of Phosphopantetheine adenylyltransferase from Acinetobacter baumannii with Dephospho Coenzyme A at 2.75 A resolution To Be Published
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1KKJ
| Crystal Structure of Serine Hydroxymethyltransferase from B.stearothermophilus | Descriptor: | PYRIDOXAL-5'-PHOSPHATE, Serine Hydroxymethyltransferase | Authors: | Trivedi, V, Gupta, A, Jala, V.R, Saravanan, P, Rao, G.S.J, Rao, N.A, Savithri, H.S, Subramanya, H.S. | Deposit date: | 2001-12-09 | Release date: | 2002-07-10 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Crystal structure of binary and ternary complexes of serine hydroxymethyltransferase from Bacillus stearothermophilus: insights into the catalytic mechanism. J.Biol.Chem., 277, 2002
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1KKP
| Crystal Structure of Serine Hydroxymethyltransferase complexed with Serine | Descriptor: | PYRIDOXAL-5'-PHOSPHATE, SERINE, Serine Hydroxymethyltransferase | Authors: | Trivedi, V, Gupta, A, Jala, V.R, Saravanan, P, Rao, G.S.J, Rao, N.A, Savithri, H.S, Subramanya, H.S. | Deposit date: | 2001-12-10 | Release date: | 2002-07-10 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Crystal structure of binary and ternary complexes of serine hydroxymethyltransferase from Bacillus stearothermophilus: insights into the catalytic mechanism. J.Biol.Chem., 277, 2002
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1KL1
| Crystal Structure of Serine Hydroxymethyltransferase Complexed with Glycine | Descriptor: | GLYCINE, PYRIDOXAL-5'-PHOSPHATE, Serine Hydroxymethyltransferase | Authors: | Trivedi, V, Gupta, A, Jala, V.R, Saravanan, P, Rao, G.S.J, Rao, N.A, Savithri, H.S, Subramanya, H.S. | Deposit date: | 2001-12-11 | Release date: | 2002-07-10 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Crystal structure of binary and ternary complexes of serine hydroxymethyltransferase from Bacillus stearothermophilus: insights into the catalytic mechanism. J.Biol.Chem., 277, 2002
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1KL2
| Crystal Structure of Serine Hydroxymethyltransferase Complexed with Glycine and 5-formyl tetrahydrofolate | Descriptor: | GLYCINE, N-{[4-({[(6R)-2-amino-5-formyl-4-oxo-1,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)phenyl]carbonyl}-L-glutamic acid, PYRIDOXAL-5'-PHOSPHATE, ... | Authors: | Trivedi, V, Gupta, A, Jala, V.R, Saravanan, P, Rao, G.S.J, Rao, N.A, Savithri, H.S, Subramanya, H.S. | Deposit date: | 2001-12-11 | Release date: | 2002-07-10 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Crystal structure of binary and ternary complexes of serine hydroxymethyltransferase from Bacillus stearothermophilus: insights into the catalytic mechanism. J.Biol.Chem., 277, 2002
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7O19
| Cryo-EM structure of an Escherichia coli TnaC-ribosome complex stalled in response to L-tryptophan | Descriptor: | 30S ribosomal protein S10, 30S ribosomal protein S11, 30S ribosomal protein S12, ... | Authors: | van der Stel, A.X, Gordon, E.R, Sengupta, A, Martinez, A.K, Klepacki, D, Perry, T.N, Herrero del Valle, A, Vazquez-Laslop, N, Sachs, M.S, Cruz-Vera, L.R, Innis, C.A. | Deposit date: | 2021-03-29 | Release date: | 2021-09-01 | Last modified: | 2024-04-24 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Structural basis for the tryptophan sensitivity of TnaC-mediated ribosome stalling. Nat Commun, 12, 2021
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7O1A
| Cryo-EM structure of an Escherichia coli TnaC(R23F)-ribosome complex stalled in response to L-tryptophan | Descriptor: | 30S ribosomal protein S10, 30S ribosomal protein S11, 30S ribosomal protein S12, ... | Authors: | van der Stel, A.X, Gordon, E.R, Sengupta, A, Martinez, A.K, Klepacki, D, Perry, T.N, Herrero del Valle, A, Vazquez-Laslop, N, Sachs, M.S, Cruz-Vera, L.R, Innis, C.A. | Deposit date: | 2021-03-29 | Release date: | 2021-09-01 | Last modified: | 2024-04-24 | Method: | ELECTRON MICROSCOPY (2.4 Å) | Cite: | Structural basis for the tryptophan sensitivity of TnaC-mediated ribosome stalling. Nat Commun, 12, 2021
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7O1C
| Cryo-EM structure of an Escherichia coli TnaC(R23F)-ribosome-RF2 complex stalled in response to L-tryptophan | Descriptor: | 30S ribosomal protein S10, 30S ribosomal protein S11, 30S ribosomal protein S12, ... | Authors: | van der Stel, A.X, Gordon, E.R, Sengupta, A, Martinez, A.K, Klepacki, D, Perry, T.N, Herrero del Valle, A, Vazquez-Laslop, N, Sachs, M.S, Cruz-Vera, L.R, Innis, C.A. | Deposit date: | 2021-03-29 | Release date: | 2021-09-01 | Last modified: | 2024-04-24 | Method: | ELECTRON MICROSCOPY (2.6 Å) | Cite: | Structural basis for the tryptophan sensitivity of TnaC-mediated ribosome stalling. Nat Commun, 12, 2021
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5QTZ
| TGF-BETA RECEPTOR TYPE 1 KINASE DOMAIN (T204D) IN COMPLEX WITH 6-[1-(2,2-DIFLUOROETHYL)-4-(6-METHYLPYRIDIN-2-YL)-1H-IMIDAZOL-5-YL]IMIDAZO[1,2-A]PYRIDINE | Descriptor: | 6-[1-(2,2-difluoroethyl)-4-(6-methylpyridin-2-yl)-1H-imidazol-5-yl]imidazo[1,2-a]pyridine, GLYCEROL, TGF-beta receptor type-1 | Authors: | Sheriff, S. | Deposit date: | 2019-11-19 | Release date: | 2020-02-05 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | Discovery of BMS-986260, a Potent, Selective, and Orally Bioavailable TGF beta R1 Inhibitor as an Immuno-oncology Agent. Acs Med.Chem.Lett., 11, 2020
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5QU0
| TGF-BETA RECEPTOR TYPE 1 KINASE DOMAIN (T204D) IN COMPLEX WITH 6-[4-(3-CHLORO-4-FLUOROPHENYL)-1-(2-HYDROXYETHYL)-1H-IMIDAZOL-5-YL]IMIDAZO[1,2-B]PYRIDAZINE-3-CARBONITRILE | Descriptor: | 6-[4-(3-chloro-4-fluorophenyl)-1-(2-hydroxyethyl)-1H-imidazol-5-yl]imidazo[1,2-b]pyridazine-3-carbonitrile, GLYCEROL, TGF-beta receptor type-1 | Authors: | Sheriff, S. | Deposit date: | 2019-11-19 | Release date: | 2020-02-05 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.67 Å) | Cite: | Discovery of BMS-986260, a Potent, Selective, and Orally Bioavailable TGF beta R1 Inhibitor as an Immuno-oncology Agent. Acs Med.Chem.Lett., 11, 2020
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6U25
| CRYSTAL STRUCTURE OF RAR-RELATED ORPHAN RECEPTOR C (NHIS- RORGT(244-487)-L6-SRC1(678-692)) IN COMPLEX WITH A TRICYCLIC INVERSE AGONIST | Descriptor: | GLYCEROL, NUCLEAR RECEPTOR COACTIVATOR 1 CHIMERA, trans-4-[(3aR,9bR)-9b-[(4-fluorophenyl)sulfonyl]-7-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,2,3a,4,5,9b-hexahydro-3H-benzo[e]indole-3-carbonyl]cyclohexane-1-carboxylic acid | Authors: | Sack, J. | Deposit date: | 2019-08-19 | Release date: | 2019-11-06 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.61 Å) | Cite: | Rationally Designed, Conformationally Constrained Inverse Agonists of ROR gamma t-Identification of a Potent, Selective Series with Biologic-Like in Vivo Efficacy. J.Med.Chem., 62, 2019
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8ILU
| Crystal structure of mouse Galectin-3 in complex with small molecule inhibitor | Descriptor: | (2R,3R,4R,5R,6S)-2-(hydroxymethyl)-6-[2-(2-methyl-1,3-benzothiazol-6-yl)-1,2,4-triazol-3-yl]-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxane-3,5-diol, Galectin-3, SODIUM ION, ... | Authors: | Kumar, A, Jinal, S, Raman, S, Ghosh, K. | Deposit date: | 2023-03-04 | Release date: | 2024-03-06 | Last modified: | 2024-09-18 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Identification of benzothiazole derived monosaccharides as potent, selective, and orally bioavailable inhibitors of human and mouse galectin-3; a rare example of using a S-O binding interaction for drug design Bioorg.Med.Chem., 101, 2024
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6MOB
| Crystal structure of KIT1 in complex with DP2976 via co-crystallization | Descriptor: | Mast/stem cell growth factor receptor Kit, N-{4-chloro-5-[1-ethyl-7-(methylamino)-2-oxo-1,2-dihydro-1,6-naphthyridin-3-yl]-2-fluorophenyl}-N'-phenylurea, NITRATE ION | Authors: | Edwards, T.E, Abendroth, J, Safford, K, Chun, L. | Deposit date: | 2018-10-04 | Release date: | 2019-07-31 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Ripretinib (DCC-2618) Is a Switch Control Kinase Inhibitor of a Broad Spectrum of Oncogenic and Drug-Resistant KIT and PDGFRA Variants. Cancer Cell, 35, 2019
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6YEL
| Stromal interaction molecule 1 coiled-coil 1 fragment | Descriptor: | Stromal interaction molecule 1 | Authors: | Rathner, P, Cerofolini, L, Ravera, E, Bechmann, M, Grabmayr, H, Fahrner, M, Fragai, M, Romanin, C, Luchinat, C, Mueller, N. | Deposit date: | 2020-03-25 | Release date: | 2020-09-02 | Last modified: | 2024-06-19 | Method: | SOLUTION NMR | Cite: | Interhelical interactions within the STIM1 CC1 domain modulate CRAC channel activation. Nat.Chem.Biol., 17, 2021
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7T79
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7T78
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5VLR
| CRYSTAL STRUCTURE OF PI3K DELTA IN COMPLEX WITH A TRIFLUORO-ETHYL-PYRAZOL-PYROLOTRIAZINE INHIBITOR | Descriptor: | 4-acetyl-1-(3-{4-amino-5-[1-(2,2,2-trifluoroethyl)-1H-pyrazol-5-yl]pyrrolo[2,1-f][1,2,4]triazin-7-yl}phenyl)-3,3-dimethylpiperazin-2-one, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | Authors: | Sack, J.S. | Deposit date: | 2017-04-26 | Release date: | 2017-06-07 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Identification of a Potent, Selective, and Efficacious Phosphatidylinositol 3-Kinase delta (PI3K delta ) Inhibitor for the Treatment of Immunological Disorders. J. Med. Chem., 60, 2017
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2I4T
| Crystal structure of Purine Nucleoside Phosphorylase from Trichomonas vaginalis with Imm-A | Descriptor: | 3,4-PYRROLIDINEDIOL,2-(4-AMINO-5H-PYRROLO[3,2-D]PYRIMIDIN-7-YL)-5-(HYDROXYMETHYL)-2S,3S,4R,5R, PHOSPHATE ION, Trichomonas vaginalis purine nucleoside phosphorylase | Authors: | Rinaldo-Matthis, A, Schramm, V.L, Almo, S.C. | Deposit date: | 2006-08-22 | Release date: | 2007-06-05 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.74 Å) | Cite: | Inhibition and structure of Trichomonas vaginalis purine nucleoside phosphorylase with picomolar transition state analogues. Biochemistry, 46, 2007
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2ISC
| Crystal structure of Purine Nucleoside Phosphorylase from Trichomonas vaginalis with DADMe-Imm-A | Descriptor: | (3R,4R)-1-[(4-AMINO-5H-PYRROLO[3,2-D]PYRIMIDIN-7-YL)METHYL]-4-(HYDROXYMETHYL)PYRROLIDIN-3-OL, PHOSPHATE ION, purine nucleoside phosphorylase | Authors: | Rinaldo-Matthis, A, Almo, S.C, Schramm, V.L. | Deposit date: | 2006-10-17 | Release date: | 2007-06-05 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Inhibition and structure of Trichomonas vaginalis purine nucleoside phosphorylase with picomolar transition state analogues Biochemistry, 46, 2007
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7CXA
| Structure of human Galectin-3 CRD in complex with TD-139 belonging to P31 space group. | Descriptor: | 3-deoxy-3-[4-(3-fluorophenyl)-1H-1,2,3-triazol-1-yl]-beta-D-galactopyranosyl 3-deoxy-3-[4-(3-fluorophenyl)-1H-1,2,3-triazol-1-yl]-1-thio-beta-D-galactopyranoside, CHLORIDE ION, Galectin-3 | Authors: | Kumar, A. | Deposit date: | 2020-09-01 | Release date: | 2021-09-01 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | Molecular mechanism of interspecies differences in the binding affinity of TD139 to Galectin-3. Glycobiology, 31, 2021
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