4DXD
 
 | | Staphylococcal Aureus FtsZ in complex with 723 | | Descriptor: | 3-[(6-chloro[1,3]thiazolo[5,4-b]pyridin-2-yl)methoxy]-2,6-difluorobenzamide, Cell division protein FtsZ, GUANOSINE-5'-DIPHOSPHATE | | Authors: | Lu, J, Soisson, S.M. | | Deposit date: | 2012-02-27 | | Release date: | 2012-05-23 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | Restoring methicillin-resistant Staphylococcus aureus susceptibility to beta-lactam antibiotics.
Sci Transl Med, 4, 2012
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6X4H
 | | Sortilin-Progranulin Interaction With Compound 24 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-methyl-N-(6-phenoxypyridine-3-carbonyl)-L-leucine, GLYCEROL, ... | | Authors: | Parthasarathy, G, Soisson, S.M, Klein, D. | | Deposit date: | 2020-05-22 | | Release date: | 2020-08-12 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Identification of potent inhibitors of the sortilin-progranulin interaction.
Bioorg.Med.Chem.Lett., 30, 2020
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1Q9C
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4MDT
 | | Structure of LpxC bound to the reaction product UDP-(3-O-(R-3-hydroxymyristoyl))-glucosamine | | Descriptor: | PHOSPHATE ION, UDP-3-O-[3-hydroxymyristoyl] N-acetylglucosamine deacetylase, ZINC ION, ... | | Authors: | Clayton, G.M, Klein, D.J, Rickert, K.W, Patel, S.B, Kornienko, M, Zugay-Murphy, J, Reid, J.C, Tummala, S, Sharma, S, Singh, S.B, Miesel, L, Lumb, K.J, Soisson, S.M. | | Deposit date: | 2013-08-23 | | Release date: | 2013-10-16 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.59 Å) | | Cite: | Structure of the Bacterial Deacetylase LpxC Bound to the Nucleotide Reaction Product Reveals Mechanisms of Oxyanion Stabilization and Proton Transfer.
J.Biol.Chem., 288, 2013
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1XDV
 | | Experimentally Phased Structure of Human the Son of Sevenless protein at 4.1 Ang. | | Descriptor: | Son of sevenless protein homolog 1 | | Authors: | Sondermann, H, Soisson, S.M, Boykevisch, S, Yang, S.S, Bar-Sagi, D, Kuriyan, J. | | Deposit date: | 2004-09-08 | | Release date: | 2004-11-02 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (4.1 Å) | | Cite: | Structural analysis of autoinhibition in the ras activator son of sevenless.
Cell(Cambridge,Mass.), 119, 2004
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1XD2
 | | Crystal Structure of a ternary Ras:SOS:Ras*GDP complex | | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, PHOSPHATE ION, ... | | Authors: | Sondermann, H, Soisson, S.M, Boykevisch, S, Yang, S.S, Bar-Sagi, D, Kuriyan, J. | | Deposit date: | 2004-09-03 | | Release date: | 2004-11-02 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structural analysis of autoinhibition in the ras activator son of sevenless.
Cell(Cambridge,Mass.), 119, 2004
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1XD4
 | | Crystal structure of the DH-PH-cat module of Son of Sevenless (SOS) | | Descriptor: | Son of sevenless protein homolog 1 | | Authors: | Sondermann, H, Soisson, S.M, Boykevisch, S, Yang, S.S, Bar-Sagi, D, Kuriyan, J. | | Deposit date: | 2004-09-03 | | Release date: | 2004-11-02 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (3.64 Å) | | Cite: | Structural analysis of autoinhibition in the ras activator son of sevenless.
Cell(Cambridge,Mass.), 119, 2004
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7L1U
 | | Orexin Receptor 2 (OX2R) in Complex with G Protein and Natural Peptide-Agonist Orexin B (OxB) | | Descriptor: | Engineered Guanine nucleotide-binding protein subunit alpha, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | | Authors: | Hong, C, Byrne, N.J, Zamlynny, B, Tummala, S, Xiao, L, Shipman, J.M, Partridge, A.T, Minnick, C, Breslin, M.J, Rudd, M.T, Stachel, S.J, Rada, V.L, Kern, J.C, Armacost, K.A, Hollingsworth, S.A, O'Brien, J.A, Hall, D.L, McDonald, T.P, Strickland, C, Brooun, A, Soisson, S.M, Hollenstein, K. | | Deposit date: | 2020-12-15 | | Release date: | 2021-02-10 | | Last modified: | 2021-02-17 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Structures of active-state orexin receptor 2 rationalize peptide and small-molecule agonist recognition and receptor activation.
Nat Commun, 12, 2021
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7L1V
 | | Orexin Receptor 2 (OX2R) in Complex with G Protein and Small-Molecule Agonist Compound 1 | | Descriptor: | 4'-methoxy-N,N-dimethyl-3'-{[3-(2-{[2-(2H-1,2,3-triazol-2-yl)benzene-1-carbonyl]amino}ethyl)phenyl]sulfamoyl}[1,1'-biphenyl]-3-carboxamide, Engineered Guanine nucleotide-binding protein subunit alpha, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | Authors: | Hong, C, Byrne, N.J, Zamlynny, B, Tummala, S, Xiao, L, Shipman, J.M, Partridge, A.T, Minnick, C, Breslin, M.J, Rudd, M.T, Stachel, S.J, Rada, V.L, Kern, J.C, Armacost, K.A, Hollingsworth, S.A, O'Brien, J.A, Hall, D.L, McDonald, T.P, Strickland, C, Brooun, A, Soisson, S.M, Hollenstein, K. | | Deposit date: | 2020-12-15 | | Release date: | 2021-02-10 | | Last modified: | 2024-10-30 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Structures of active-state orexin receptor 2 rationalize peptide and small-molecule agonist recognition and receptor activation.
Nat Commun, 12, 2021
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8T7N
 | | Crystal structure of the R132H mutant of IDH1 bound to compound 1 | | Descriptor: | Isocitrate dehydrogenase [NADP] cytoplasmic, N-(4-tert-butylphenyl)-7,8-dimethyl-5,11-dihydro-6H-pyrido[2,3-b][1,5]benzodiazepine-6-carboxamide, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Lu, J, Abeywickrema, P, Heo, M.R, Parthasarathy, G, McCoy, M, Soisson, S.M. | | Deposit date: | 2023-06-20 | | Release date: | 2024-08-28 | | Method: | X-RAY DIFFRACTION (2.26 Å) | | Cite: | Mechanistic and Biostructural Studies of Mutant IDH1
To Be Published
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8T7O
 | | Crystal structure of the R132H mutant of IDH1 bound to AG-120 | | Descriptor: | Isocitrate dehydrogenase [NADP] cytoplasmic, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ivosidenib | | Authors: | Lu, J, Abeywickrema, P, Heo, M.R, Parthasarathy, G, McCoy, M, Soisson, S.M. | | Deposit date: | 2023-06-20 | | Release date: | 2024-08-28 | | Method: | X-RAY DIFFRACTION (2.053 Å) | | Cite: | Mechanistic and Biostructural Studies of Mutant IDH1
To Be Published
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8T7D
 | | Crystal structure of wild type IDH1 bound to compound 1 | | Descriptor: | Isocitrate dehydrogenase [NADP] cytoplasmic, N-(4-tert-butylphenyl)-7,8-dimethyl-5,11-dihydro-6H-pyrido[2,3-b][1,5]benzodiazepine-6-carboxamide | | Authors: | Lu, J, Abeywickrema, P, Heo, M.R, Parthasarathy, G, McCoy, M, Soisson, S.M. | | Deposit date: | 2023-06-20 | | Release date: | 2024-08-28 | | Method: | X-RAY DIFFRACTION (3.444 Å) | | Cite: | Mechanistic and Biostructural Studies of Mutant IDH1
To Be Published
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1RHJ
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1RHU
 | | CRYSTAL STRUCTURE OF THE COMPLEX OF CASPASE-3 WITH A 5,6,7 TRICYCLIC PEPTIDOMIMETIC INHIBITOR | | Descriptor: | (3S)-3-[({(2S)-5-[(N-ACETYL-L-ALPHA-ASPARTYL)AMINO]-4-OXO-1,2,4,5,6,7-HEXAHYDROAZEPINO[3,2,1-HI]INDOL-2-YL}CARBONYL)AMINO]-5-(BENZYLSULFANYL)-4-OXOPENTANOIC ACID, Caspase-3 | | Authors: | Becker, J.W, Rotonda, J, Soisson, S.M. | | Deposit date: | 2003-11-14 | | Release date: | 2004-05-11 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.51 Å) | | Cite: | Reducing the Peptidyl Features of Caspase-3 Inhibitors: A Structural Analysis.
J.Med.Chem., 47, 2004
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1RHQ
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1RHM
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1RHK
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1RHR
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5TZR
 | | GPR40 in complex with partial agonist MK-8666 | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (5aR,6S,6aS)-3-({2',6'-dimethyl-4'-[3-(methylsulfonyl)propoxy][1,1'-biphenyl]-3-yl}methoxy)-5,5a,6,6a-tetrahydrocyclopropa[4,5]cyclopenta[1,2-c]pyridine-6-carboxylic acid, Free fatty acid receptor 1,Endolysin,Free fatty acid receptor 1, ... | | Authors: | Lu, J, Byrne, N, Patel, S, Sharma, S, Soisson, S.M. | | Deposit date: | 2016-11-22 | | Release date: | 2017-06-07 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural basis for the cooperative allosteric activation of the free fatty acid receptor GPR40.
Nat. Struct. Mol. Biol., 24, 2017
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5UNH
 | | Synchrotron structure of human angiotensin II type 2 receptor in complex with compound 2 (N-[(furan-2-yl)methyl]-N-(4-oxo-2-propyl-3-{[2'-(2H-tetrazol-5-yl)[1,1'- biphenyl]-4-yl]methyl}-3,4-dihydroquinazolin-6-yl)benzamide) | | Descriptor: | N-[(furan-2-yl)methyl]-N-(4-oxo-2-propyl-3-{[2'-(2H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl}-3,4-dihydroquinazolin-6-yl)benzamide, Soluble cytochrome b562,Type-2 angiotensin II receptor | | Authors: | Zhang, H, Han, G.W, Batyuk, A, Ishchenko, A, White, K.L, Patel, N, Sadybekov, A, Zamlynny, B, Rudd, M.T, Hollenstein, K, Tolstikova, A, White, T.A, Hunter, M.S, Weierstall, U, Liu, W, Babaoglu, K, Moore, E.L, Katz, R.D, Shipman, J.M, Garcia-Calvo, M, Sharma, S, Sheth, P, Soisson, S.M, Stevens, R.C, Katritch, V, Cherezov, V. | | Deposit date: | 2017-01-30 | | Release date: | 2017-04-05 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Structural basis for selectivity and diversity in angiotensin II receptors.
Nature, 544, 2017
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5TZY
 | | GPR40 in complex with AgoPAM AP8 and partial agonist MK-8666 | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S,3R)-3-cyclopropyl-3-[(2R)-2-(1-{(1S)-1-[5-fluoro-2-(trifluoromethoxy)phenyl]ethyl}piperidin-4-yl)-3,4-dihydro-2H-1-benzopyran-7-yl]-2-methylpropanoic acid, (5aR,6S,6aS)-3-({2',6'-dimethyl-4'-[3-(methylsulfonyl)propoxy][1,1'-biphenyl]-3-yl}methoxy)-5,5a,6,6a-tetrahydrocyclopropa[4,5]cyclopenta[1,2-c]pyridine-6-carboxylic acid, ... | | Authors: | Lu, J, Byrne, N, Patel, S, Sharma, S, Soisson, S.M. | | Deposit date: | 2016-11-22 | | Release date: | 2017-06-07 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (3.22 Å) | | Cite: | Structural basis for the cooperative allosteric activation of the free fatty acid receptor GPR40.
Nat. Struct. Mol. Biol., 24, 2017
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5UNG
 | | XFEL structure of human angiotensin II type 2 receptor (Orthorhombic form) in complex with compound 1 (N-benzyl-N-(2-ethyl-4-oxo-3-{[2'-(2H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl] methyl}-3,4-dihydroquinazolin-6-yl)thiophene-2-carboxamide) | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Chimera protein of Type-2 angiotensin II receptor and Soluble cytochrome b562, N-benzyl-N-(2-ethyl-4-oxo-3-{[2'-(2H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl}-3,4-dihydroquinazolin-6-yl)thiophene-2-carboxamide, ... | | Authors: | Zhang, H, Han, G.W, Batyuk, A, Ishchenko, A, White, K.L, Patel, N, Sadybekov, A, Zamlynny, B, Rudd, M.T, Hollenstein, K, Tolstikova, A, White, T.A, Hunter, M.S, Weierstall, U, Liu, W, Babaoglu, K, Moore, E.L, Katz, R.D, Shipman, J.M, Garcia-Calvo, M, Sharma, S, Sheth, P, Soisson, S.M, Stevens, R.C, Katritch, V, Cherezov, V. | | Deposit date: | 2017-01-30 | | Release date: | 2017-04-05 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structural basis for selectivity and diversity in angiotensin II receptors.
Nature, 544, 2017
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5UNF
 | | XFEL structure of human angiotensin II type 2 receptor (Monoclinic form) in complex with compound 1 (N-benzyl-N-(2-ethyl-4-oxo-3-{[2'-(2H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]) | | Descriptor: | Chimera protein of Type-2 angiotensin II receptor and Soluble cytochrome b562, N-benzyl-N-(2-ethyl-4-oxo-3-{[2'-(2H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl}-3,4-dihydroquinazolin-6-yl)thiophene-2-carboxamide | | Authors: | Zhang, H, Han, G.W, Batyuk, A, Ishchenko, A, White, K.L, Patel, N, Sadybekov, A, Zamlynny, B, Rudd, M.T, Hollenstein, K, Tolstikova, A, White, T.A, Hunter, M.S, Weierstall, U, Liu, W, Babaoglu, K, Moore, E.L, Katz, R.D, Shipman, J.M, Garcia-Calvo, M, Sharma, S, Sheth, P, Soisson, S.M, Stevens, R.C, Katritch, V, Cherezov, V. | | Deposit date: | 2017-01-30 | | Release date: | 2017-04-05 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structural basis for selectivity and diversity in angiotensin II receptors.
Nature, 544, 2017
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3UFL
 | | Discovery of Pyrrolidine-based b-Secretase Inhibitors: Lead Advancement through Conformational Design for Maintenance of Ligand Binding Efficiency | | Descriptor: | (1R,4'S)-3,4-dihydro-2H-spiro[naphthalene-1,3'-pyrrolidin]-4'-yl[(2S,4R)-2,4-diphenylpiperidin-1-yl]methanone, Beta-secretase 1, GLYCEROL, ... | | Authors: | Allison, T, Munshi, S, Soisson, S.M. | | Deposit date: | 2011-11-01 | | Release date: | 2012-01-18 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Discovery of pyrrolidine-based beta-secretase inhibitors: Lead advancement through conformational design for maintenance of ligand binding efficiency.
Bioorg.Med.Chem.Lett., 22, 2012
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4XUD
 | | Synthesis and evaluation of heterocyclic catechol mimics as inhibitors of catechol-O-methyltransferase (COMT): Structure with Cmpd32 ([1-(biphenyl-3-yl)-5-hydroxy-4-oxo-1,4-dihydropyridin-3-yl]boronic acid) | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Catechol O-methyltransferase, MAGNESIUM ION, ... | | Authors: | Allison, T, Wolkenberg, S, Sanders, J.M, Soisson, S.M. | | Deposit date: | 2015-01-25 | | Release date: | 2015-04-15 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Synthesis and Evaluation of Heterocyclic Catechol Mimics as Inhibitors of Catechol-O-methyltransferase (COMT).
Acs Med.Chem.Lett., 6, 2015
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