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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5E95
 | | Crystal Structure of Mb(NS1)/H-Ras Complex | | Descriptor: | GTPase HRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Eguchi, R.R, Sha, F, Gupta, A, Koide, A, Koide, S. | | Deposit date: | 2015-10-14 | | Release date: | 2016-11-02 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.402 Å) | | Cite: | Inhibition of RAS function through targeting an allosteric regulatory site.
Nat. Chem. Biol., 13, 2017
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6J3M
 | | Crystal structure of the complex of Phosphopantetheine adenylyltransferase from Acinetobacter baumannii with Pyrophosphate at 2.30A resolution | | Descriptor: | CHLORIDE ION, PYROPHOSPHATE 2-, Phosphopantetheine adenylyltransferase, ... | | Authors: | Singh, P.K, Gupta, A, Sharma, S, Singh, T.P. | | Deposit date: | 2019-01-04 | | Release date: | 2019-01-23 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal structure of the complex of Phosphopantetheine adenylyltransferase from Acinetobacter baumannii with Pyrophosphate at 2.30A resolution
To Be Published
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6JOG
 | | Crystal structure of the complex of phospho pantetheine adenylyl transferase from Acinetobacter baumannii with two ascorbic acid (Vitamin-C) molecules. | | Descriptor: | ASCORBIC ACID, Phosphopantetheine adenylyltransferase, SULFATE ION | | Authors: | Viswanathan, V, Gupta, A, Bairagya, H.R, Sharma, S, Singh, T.P. | | Deposit date: | 2019-03-20 | | Release date: | 2019-04-03 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal structure of the complex of phospho pantetheine adenylyl transferase from Acinetobacter baumannii with two ascorbic acid (Vitamin-C) molecules.
To Be Published
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6JNH
 | | Crystal structure of the complex of Phosphopantetheine adenylyltransferasefrom Acinetobacter baumannii with Ascorbic acid (Vitamin-C) at 2.0A resolution | | Descriptor: | ASCORBIC ACID, Phosphopantetheine adenylyltransferase, SODIUM ION, ... | | Authors: | Iqbal, N, Gupta, A, Sharm, P, Singh, T.P. | | Deposit date: | 2019-03-14 | | Release date: | 2019-03-27 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structure of the complex of Phosphopantetheine adenylyltransferase from Acinetobacter baumannii with Ascorbic acid (Vitamin-C) at 2.0A resolution
To Be Published
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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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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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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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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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6D5K
 | | Structure of Human ATP:Cobalamin Adenosyltransferase bound to ATP, and Adenosylcobalamin | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 5'-DEOXYADENOSINE, ADENOSINE-5'-TRIPHOSPHATE, ... | | Authors: | Dodge, G.J, Campanello, G, Smith, J.L, Banerjee, R. | | Deposit date: | 2018-04-19 | | Release date: | 2018-10-10 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | Sacrificial Cobalt-Carbon Bond Homolysis in Coenzyme B12as a Cofactor Conservation Strategy.
J. Am. Chem. Soc., 140, 2018
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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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7CXC
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7CXB
 | | Structure of mouse Galectin-3 CRD in complex with TD-139 belonging to P6522 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 (1.46 Å) | | Cite: | Molecular mechanism of interspecies differences in the binding affinity of TD139 to Galectin-3.
Glycobiology, 31, 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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6P9F
 | | Crystal structure of RAR-related orphan receptor C (NHIS-RORGT(244-487)-L6-SRC1(678-692)) in complex with a phenyl (3-phenylpyrrolidin-3-yl)sulfone inhibitor | | Descriptor: | Nuclear receptor ROR-gamma, Nuclear receptor coactivator 1 chimera, trans-4-{(3R)-3-[(4-fluorophenyl)sulfonyl]-3-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]pyrrolidine-1-carbonyl}cyclohexane-1-carboxylic acid | | Authors: | Sack, J. | | Deposit date: | 2019-06-10 | | Release date: | 2019-07-17 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Identification of potent, selective and orally bioavailable phenyl ((R)-3-phenylpyrrolidin-3-yl)sulfone analogues as ROR gamma t inverse agonists.
Bioorg.Med.Chem.Lett., 29, 2019
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7CXD
 | | Xray structure of rat Galectin-3 CRD in complex with TD-139 belonging to P121 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, BROMIDE 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 (1.71 Å) | | Cite: | Molecular mechanism of interspecies differences in the binding affinity of TD139 to Galectin-3.
Glycobiology, 31, 2021
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7T79
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7T78
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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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