8T0E
| TRPV1 in Nanodisc not bound with lysophosphatidic acid (apo) | Descriptor: | (2R)-3-{[(R)-hydroxy{[(1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}propane-1,2-diyl dioctadecanoate, SODIUM ION, Transient receptor potential cation channel subfamily V member 1 | Authors: | Arnold, W.R, Cheng, Y. | Deposit date: | 2023-05-31 | Release date: | 2024-05-08 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Structural basis of TRPV1 modulation by endogenous bioactive lipids. Nat.Struct.Mol.Biol., 2024
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8T0Y
| TRPV1 in nanodisc bound with one LPA in one monomer | Descriptor: | (2R)-2-hydroxy-3-(phosphonooxy)propyl tetradecanoate, (2R)-3-{[(R)-hydroxy{[(1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}propane-1,2-diyl dioctadecanoate, SODIUM ION, ... | Authors: | Arnold, W.R, Cheng, Y. | Deposit date: | 2023-06-01 | Release date: | 2024-05-08 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Structural basis of TRPV1 modulation by endogenous bioactive lipids. Nat.Struct.Mol.Biol., 2024
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3L5P
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3L5V
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1HTQ
| Multicopy crystallographic structure of a relaxed glutamine synthetase from Mycobacterium tuberculosis | Descriptor: | ADENOSINE MONOPHOSPHATE, CITRIC ACID, MANGANESE (II) ION, ... | Authors: | Gill, H.S, Pfluegl, G.M, Eisenberg, D, TB Structural Genomics Consortium (TBSGC) | Deposit date: | 2001-01-01 | Release date: | 2002-07-24 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Multicopy crystallographic refinement of a relaxed glutamine synthetase from Mycobacterium tuberculosis highlights flexible loops in the enzymatic mechanism and its regulation. Biochemistry, 41, 2002
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3MCJ
| Crystal structure of molybdenum cofactor biosynthesis (AQ_061) other form from aquifex aeolicus VF5 | Descriptor: | 1,2-ETHANEDIOL, Molybdenum cofactor biosynthesis MOG | Authors: | Jeyakanthan, J, Kanaujia, S.P, Sekar, K, Agari, Y, Ebihara, A, Kuramitsu, S, Shinkai, A, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2010-03-29 | Release date: | 2011-01-19 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structures, dynamics and functional implications of molybdenum-cofactor biosynthesis protein MogA from two thermophilic organisms Acta Crystallogr.,Sect.F, 67, 2011
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3MCI
| Crystal structure of molybdenum cofactor biosynthesis (AQ_061) from aquifex aeolicus VF5 | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Molybdenum cofactor biosynthesis MOG | Authors: | Jeyakanthan, J, Kanaujia, S.P, Sekar, K, Agari, Y, Ebihara, A, Kuramitsu, S, Shinkai, A, Shiro, Y, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2010-03-29 | Release date: | 2011-01-19 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystal structures, dynamics and functional implications of molybdenum-cofactor biosynthesis protein MogA from two thermophilic organisms Acta Crystallogr.,Sect.F, 67, 2011
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3MCH
| Crystal structure of the molybdopterin biosynthesis enzyme MoaB (TTHA0341) from thermus theromophilus HB8 | Descriptor: | 1,2-ETHANEDIOL, Molybdopterin biosynthesis enzyme, MoaB | Authors: | Jeyakanthan, J, Kanaujia, S.P, Sekar, K, Baba, S, Ebihara, A, Kuramitsu, S, Shinkai, A, Shiro, Y, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2010-03-29 | Release date: | 2011-01-19 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.64 Å) | Cite: | Crystal structures, dynamics and functional implications of molybdenum-cofactor biosynthesis protein MogA from two thermophilic organisms Acta Crystallogr.,Sect.F, 67, 2011
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8U30
| TRPV1 in nanodisc bound with diC8-PIP2 in the closed state | Descriptor: | SODIUM ION, Transient receptor potential cation channel subfamily V member 1, [(2R)-2-octanoyloxy-3-[oxidanyl-[(1R,2R,3S,4R,5R,6S)-2,3,6-tris(oxidanyl)-4,5-diphosphonooxy-cyclohexyl]oxy-phosphoryl]oxy-propyl] octanoate | Authors: | Arnold, W.R, Julius, D, Cheng, Y. | Deposit date: | 2023-09-06 | Release date: | 2024-05-08 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Structural basis of TRPV1 modulation by endogenous bioactive lipids. Nat.Struct.Mol.Biol., 2024
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8U3L
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8U3C
| TRPV1 in nanodisc bound with PI-Br4 bound in Conformation 2 (monomer) | Descriptor: | (2S)-2-[(9,10-dibromooctadecanoyl)oxy]-3-{[(S)-hydroxy{[(1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}propyl (9R,10S)-9,10-dibromooctadecanoate, 1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATE, 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, ... | Authors: | Arnold, W.R, Julius, D, Cheng, Y. | Deposit date: | 2023-09-07 | Release date: | 2024-05-08 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (2.3 Å) | Cite: | Structural basis of TRPV1 modulation by endogenous bioactive lipids. Nat.Struct.Mol.Biol., 2024
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6EQP
| Human butyrylcholinesterase in complex with ethopropazine | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ... | Authors: | Nachon, F, Brazzolotto, X, Wandhammer, M, Trovaslet-Leroy, M, Rosenberry, T.L, Macdonald, I.R, Darvesh, S. | Deposit date: | 2017-10-14 | Release date: | 2017-12-13 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.349417 Å) | Cite: | Comparison of the Binding of Reversible Inhibitors to Human Butyrylcholinesterase and Acetylcholinesterase: A Crystallographic, Kinetic and Calorimetric Study. Molecules, 22, 2017
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5WO0
| DNA polymerase beta substrate complex with incoming 5-FodUTP | Descriptor: | 2'-deoxy-5-formyluridine 5'-(tetrahydrogen triphosphate), CALCIUM ION, CHLORIDE ION, ... | Authors: | Schaich, M.A, Smith, M.R, Cloud, A.S, Holloran, S.M, Freudenthal, B.D. | Deposit date: | 2017-08-01 | Release date: | 2017-09-13 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structures of a DNA Polymerase Inserting Therapeutic Nucleotide Analogues. Chem. Res. Toxicol., 30, 2017
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2YJA
| Stapled Peptides binding to Estrogen Receptor alpha. | Descriptor: | ESTRADIOL, ESTROGEN RECEPTOR, STAPLED PEPTIDE | Authors: | Phillips, C, Roberts, L.R, Schade, M, Bazin, R, Bent, A, Davies, N.L, Irving, S.L, Moore, R, Pannifer, A.D, Brown, D.G, Pickford, A.R, Scott, A, Xu, B. | Deposit date: | 2011-05-19 | Release date: | 2011-08-03 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Design and Structure of Stapled Peptides Binding to Estrogen Receptors. J.Am.Chem.Soc., 133, 2011
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5G4N
| Crystal structure of the p53 cancer mutant Y220C in complex with a difluorinated derivative of the small molecule stabilizer Phikan083 | Descriptor: | 1-[9-(2,2-difluoroethyl)-9H-carbazol-3-yl]-N-methylmethanamine, CELLULAR TUMOR ANTIGEN P53, GLYCEROL, ... | Authors: | Joerger, A.C, Bauer, M, Jones, R.N, Spencer, J. | Deposit date: | 2016-05-13 | Release date: | 2016-06-22 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Harnessing Fluorine-Sulfur Contacts and Multipolar Interactions for the Design of P53 Mutant Y220C Rescue Drugs. Acs Chem.Biol., 11, 2016
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6EP4
| Human butyrylcholinesterase in complex with decamethonium | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ... | Authors: | Nachon, F, Brazzolotto, X, Wandhammer, M, Trovaslet-Leroy, M, Rosenberry, T.L, Macdonald, I.R, Darvesh, S. | Deposit date: | 2017-10-10 | Release date: | 2017-12-13 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.30005383 Å) | Cite: | Comparison of the Binding of Reversible Inhibitors to Human Butyrylcholinesterase and Acetylcholinesterase: A Crystallographic, Kinetic and Calorimetric Study. Molecules, 22, 2017
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1MF7
| INTEGRIN ALPHA M I DOMAIN | Descriptor: | INTEGRIN ALPHA M | Authors: | McCleverty, C.J, Liddington, R.C. | Deposit date: | 2002-08-09 | Release date: | 2003-05-20 | Last modified: | 2021-10-27 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Engineered allosteric mutants of the integrin alphaMbeta2 I domain: structural and functional studies Biochem.J., 372, 2003
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2Q9S
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3JYB
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8C7S
| Transcriptional pleiotropic repressor CodY from Staphylococcus aureus in complex with Ile, GTP, and a 30-bp DNA fragment encompassing two overlapping binding sites | Descriptor: | DNA (30-MER), GUANOSINE-5'-TRIPHOSPHATE, Global transcriptional regulator CodY (Fragment), ... | Authors: | Hainzl, T, Sauer-Eriksson, A.E. | Deposit date: | 2023-01-17 | Release date: | 2023-07-19 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (3.05 Å) | Cite: | Structural insights into CodY activation and DNA recognition. Nucleic Acids Res., 51, 2023
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2KAS
| HNE-dG adduct mismatched with dA in basic solution | Descriptor: | (4S)-nonane-1,4-diol, 5'-D(*DGP*DCP*DTP*DAP*DGP*DCP*DGP*DAP*DGP*DTP*DCP*DC)-3', 5'-D(*DGP*DGP*DAP*DCP*DTP*DAP*DGP*DCP*DTP*DAP*DGP*DC)-3' | Authors: | Huang, H, Wang, H, Lloyd, R.S, Rizzo, C.J, Stone, M.P. | Deposit date: | 2008-11-13 | Release date: | 2009-05-26 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Conformational interconversion of the trans-4-hydroxynonenal-derived (6S,8R,11S) 1,N(2)-deoxyguanosine adduct when mismatched with deoxyadenosine in DNA Chem.Res.Toxicol., 22, 2009
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3KEN
| Human Eg5 in complex with S-trityl-L-cysteine | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Kinesin-like protein KIF11, MAGNESIUM ION, ... | Authors: | Parke, C.L, Wojcik, E.J, Kim, S, Worthylake, D.K. | Deposit date: | 2009-10-26 | Release date: | 2010-03-16 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Allosteric drug discrimination is coupled to mechanochemical changes in the kinesin-5 motor core. J.Biol.Chem., 285, 2010
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2K9P
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3THY
| Human MutSbeta complexed with an IDL of 2 bases (Loop2) and ADP | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, DNA Loop2 minus strand, DNA Loop2 plus strand, ... | Authors: | Yang, W. | Deposit date: | 2011-08-19 | Release date: | 2011-12-21 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.894 Å) | Cite: | Mechanism of mismatch repair revealed by human MutSbeta bound to unpaired DNA loops Nat.Struct.Mol.Biol., 19, 2012
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2CV1
| Glutamyl-tRNA synthetase from Thermus thermophilus in complex with tRNA(Glu), ATP, and an analog of L-glutamate: a quaternary complex | Descriptor: | (4S)-4-AMINO-5-HYDROXYPENTANOIC ACID, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Sekine, S, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2005-05-31 | Release date: | 2006-09-05 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.41 Å) | Cite: | Glutamyl-tRNA synthetase from Thermus thermophilus in complex with tRNA(Glu), ATP, and an analog of L-glutamate: a quaternary complex To be Published
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