1EFA
 
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4KM7
 | | Human folate receptor alpha (FOLR1) at acidic pH, triclinic form | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Folate receptor alpha, POTASSIUM ION | | Authors: | Kovach, A.R, Wibowo, A.S, Dann III, C.E. | | Deposit date: | 2013-05-08 | | Release date: | 2013-08-07 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.801 Å) | | Cite: | Structures of human folate receptors reveal biological trafficking states and diversity in folate and antifolate recognition.
Proc.Natl.Acad.Sci.USA, 110, 2013
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7BNT
 | | Complex of rice blast (Magnaporthe oryzae) effector protein AVR-PikD with a predicted ancestral HMA domain of Pik-1 from Oryza spp. | | Descriptor: | 1,2-ETHANEDIOL, AVR-Pik protein, Predicted ancestral HMA domain of Pik-1 from Oryza spp. | | Authors: | Bialas, A, Langner, T, Harant, A, Contreras, M.P, Stevenson, C.E.M, Lawson, D.M, Sklenar, J, Kellner, R, Moscou, M.J, Terauchi, R, Banfield, M.J, Kamoun, S. | | Deposit date: | 2021-01-22 | | Release date: | 2021-02-17 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.32 Å) | | Cite: | Two NLR immune receptors acquired high-affinity binding to a fungal effector through convergent evolution of their integrated domain.
Elife, 10, 2021
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4KM6
 | | Human folate receptor alpha (FOLR1) at acidic pH, orthorhombic form | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Folate receptor alpha | | Authors: | Singh, M, Dann III, C.E. | | Deposit date: | 2013-05-08 | | Release date: | 2013-08-07 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Structures of human folate receptors reveal biological trafficking states and diversity in folate and antifolate recognition.
Proc.Natl.Acad.Sci.USA, 110, 2013
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1E5G
 | | Solution structure of central CP module pair of a pox virus complement inhibitor | | Descriptor: | COMPLEMENT CONTROL PROTEIN C3 | | Authors: | Henderson, C.E, Bromek, K, Mullin, N.P, Smith, B.O, Uhrin, D, Barlow, P.N. | | Deposit date: | 2000-07-25 | | Release date: | 2000-08-31 | | Last modified: | 2013-07-03 | | Method: | SOLUTION NMR | | Cite: | Solution Structure and Dynamics of the Central Ccp Module Pair of a Poxvirus Complement Control Protein
J.Mol.Biol., 307, 2001
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3EFY
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8RJV
 | | Crystal structure of SARS-CoV-2 main protease (MPro) in complex with the covalent inhibitor GUE-3778 (compound 12 in publication) | | Descriptor: | (phenylmethyl) ~{N}-[(2~{S})-1-[[(3-chloranyl-2-fluoranyl-phenyl)methyl-(iminomethyl)amino]-methyl-amino]-1-oxidanylidene-3-phenyl-propan-2-yl]carbamate, 3C-like proteinase nsp5 | | Authors: | Strater, N, Claff, T, Sylvester, K, Mueller, C.E, Guetschow, M, Useini, A. | | Deposit date: | 2023-12-21 | | Release date: | 2024-05-29 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (1.91 Å) | | Cite: | Macrocyclic Azapeptide Nitriles: Structure-Based Discovery of Potent SARS-CoV-2 Main Protease Inhibitors as Antiviral Drugs.
J.Med.Chem., 67, 2024
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8RJY
 | | Crystal structure of SARS-CoV-2 main protease (MPro) in complex with the covalent inhibitor GUE-3899 (compound 58 in publication) | | Descriptor: | 3C-like proteinase nsp5, ~{N}-[(2~{S})-1-[[(2~{S})-1-[[(4-chlorophenyl)methyl-(iminomethyl)amino]-methyl-amino]-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-3,3-dimethyl-1-oxidanylidene-butan-2-yl]thiophene-2-carboxamide | | Authors: | Strater, N, Claff, T, Sylvester, K, Mueller, C.E, Guetschow, M, Useini, A. | | Deposit date: | 2023-12-22 | | Release date: | 2024-05-29 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | Macrocyclic Azapeptide Nitriles: Structure-Based Discovery of Potent SARS-CoV-2 Main Protease Inhibitors as Antiviral Drugs.
J.Med.Chem., 67, 2024
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8RJZ
 | | Crystal structure of SARS-CoV-2 main protease (MPro) in complex with the non-covalent inhibitor GUE-3801 (compound 80 in publication) | | Descriptor: | (7~{S})-6-[2-[2,4-bis(chloranyl)phenoxy]ethanoyl]-14-fluoranyl-10-(iminomethyl)-9-methyl-7-(phenylmethyl)-2-oxa-6,9,10-triazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-8-one, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3C-like proteinase nsp5, ... | | Authors: | Strater, N, Claff, T, Sylvester, K, Mueller, C.E, Guetschow, M, Useini, A. | | Deposit date: | 2023-12-22 | | Release date: | 2024-05-29 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Macrocyclic Azapeptide Nitriles: Structure-Based Discovery of Potent SARS-CoV-2 Main Protease Inhibitors as Antiviral Drugs.
J.Med.Chem., 67, 2024
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4KN1
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8RLN
 | | Crystal structure of human adenosine A2A receptor (construct A2A-PSB2-bRIL) complexed with the partial antagonist LUF5834 at the orthosteric pocket | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 2-azanyl-4-(4-hydroxyphenyl)-6-(1~{H}-imidazol-2-ylmethylsulfanyl)pyridine-3,5-dicarbonitrile, ... | | Authors: | Strater, N, Claff, T, Weisse, R.H, Muller, C.E. | | Deposit date: | 2024-01-03 | | Release date: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (2.43 Å) | | Cite: | Structural Insights into Partial Activation of the Prototypic G Protein-Coupled Adenosine A 2A Receptor.
Acs Pharmacol Transl Sci, 7, 2024
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3ETB
 | | Crystal structure of the engineered neutralizing antibody M18 complexed with anthrax protective antigen domain 4 | | Descriptor: | Anthrax Protective Antigen, Antibody M18 light chain and antibody M18 heavy chain linked with a synthetic (GGGGS)4 linker | | Authors: | Monzingo, A.F, Leysath, C.E, Barnett, J, Iverson, B.L, Georgiou, G, Robertus, J.D. | | Deposit date: | 2008-10-07 | | Release date: | 2009-04-28 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (3.8 Å) | | Cite: | Crystal structure of the engineered neutralizing antibody M18 complexed to domain 4 of the anthrax protective antigen.
J.Mol.Biol., 387, 2009
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8SC9
 | | Structure of PPARG in complex with MTX-531 | | Descriptor: | N-[(5P)-2-chloro-5-(4-{[(1R)-1-phenylethyl]amino}quinazolin-6-yl)pyridin-3-yl]methanesulfonamide, Peroxisome proliferator-activated receptor gamma, SULFATE ION, ... | | Authors: | Whitehead, C.E, Leopold, J. | | Deposit date: | 2023-04-05 | | Release date: | 2024-06-12 | | Method: | X-RAY DIFFRACTION (1.855 Å) | | Cite: | Structure of PPARG in complex with MTX-531
To Be Published
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8SC8
 | | Structure of PI3KG in complex with MTX-531 | | Descriptor: | N-[(5P)-2-chloro-5-(4-{[(1R)-1-phenylethyl]amino}quinazolin-6-yl)pyridin-3-yl]methanesulfonamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION | | Authors: | Whitehead, C.E, Leopold, J. | | Deposit date: | 2023-04-05 | | Release date: | 2024-06-12 | | Method: | X-RAY DIFFRACTION (2.687 Å) | | Cite: | Structure of PI3KG in complex with MTX-531
To Be Published
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4KMX
 | | Human folate receptor alpha (FOLR1) at acidic pH, hexagonal form | | 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, CHLORIDE ION, ... | | Authors: | Wibowo, A.S, Dann III, C.E. | | Deposit date: | 2013-05-08 | | Release date: | 2013-08-07 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structures of human folate receptors reveal biological trafficking states and diversity in folate and antifolate recognition.
Proc.Natl.Acad.Sci.USA, 110, 2013
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4UIJ
 | | Crystal structure of the BTB domain of KCTD13 | | Descriptor: | BTB/POZ DOMAIN-CONTAINING ADAPTER FOR CUL3-MEDIATED RHOA DEGRADATION PROTEIN 1, CHLORIDE ION | | Authors: | Pinkas, D.M, Sanvitale, C.E, Sorell, F.J, Solcan, N, Goubin, S, Canning, P, Williams, E, Chaikuad, A, Dixon Clarke, S.E, Tallant, C, Fonseca, M, Chalk, R, Doutch, J, Krojer, T, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A. | | Deposit date: | 2015-03-30 | | Release date: | 2015-11-04 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structural complexity in the KCTD family of Cullin3-dependent E3 ubiquitin ligases.
Biochem. J., 474, 2017
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8SC7
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7BI1
 | | XFEL crystal structure of soybean ascorbate peroxidase compound II | | Descriptor: | Ascorbate peroxidase, POTASSIUM ION, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Kwon, H, Tosha, T, Sugimoto, H, Raven, E.L, Moody, P.C.E. | | Deposit date: | 2021-01-12 | | Release date: | 2021-04-21 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | XFEL Crystal Structures of Peroxidase Compound II.
Angew.Chem.Int.Ed.Engl., 60, 2021
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7BIU
 | | XFEL crystal structure of cytochrome c peroxidase compound II | | Descriptor: | Cytochrome c peroxidase, mitochondrial, HEME C | | Authors: | Kwon, H, Tosha, T, Sugimoto, H, Raven, E.L, Moody, P.C.E. | | Deposit date: | 2021-01-13 | | Release date: | 2021-04-21 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.06 Å) | | Cite: | XFEL Crystal Structures of Peroxidase Compound II.
Angew.Chem.Int.Ed.Engl., 60, 2021
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7BEW
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1F39
 | | CRYSTAL STRUCTURE OF THE LAMBDA REPRESSOR C-TERMINAL DOMAIN | | Descriptor: | REPRESSOR PROTEIN CI | | Authors: | Bell, C.E, Frescura, P, Hochschild, A, Lewis, M. | | Deposit date: | 2000-06-01 | | Release date: | 2000-07-26 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal structure of the lambda repressor C-terminal domain provides a model for cooperative operator binding.
Cell(Cambridge,Mass.), 101, 2000
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7BEX
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4UMK
 | | The complex of Spo0J and parS DNA in chromosomal partition system | | Descriptor: | DNA, PROBABLE CHROMOSOME-PARTITIONING PROTEIN PARB, SULFATE ION | | Authors: | Chen, B.W, Chu, C.H, Tung, J.Y, Hsu, C.E, Hsiao, C.D, Sun, Y.J. | | Deposit date: | 2014-05-19 | | Release date: | 2015-05-13 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (3.096 Å) | | Cite: | Insights into ParB spreading from the complex structure of Spo0J and parS.
Proc. Natl. Acad. Sci. U.S.A., 112, 2015
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4UD7
 | | Structure of the stapled peptide YS-02 bound to MDM2 | | Descriptor: | MDM2, YS-02 | | Authors: | Tan, Y.S, Reeks, J, Brown, C.J, Jennings, C.E, Eapen, R.S, Tng, Q.S, Thean, D, Ying, Y.T, Gago, F.J.F, Lane, D.P, Noble, M.E.M, Verma, C. | | Deposit date: | 2014-12-08 | | Release date: | 2016-01-13 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Benzene Probes in Molecular Dynamics Simulations Reveal Novel Binding Sites for Ligand Design.
J Phys Chem Lett, 7, 2016
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4UE1
 | | Structure of the stapled peptide YS-01 bound to MDM2 | | Descriptor: | E3 UBIQUITIN-PROTEIN LIGASE MDM2, YS-01 | | Authors: | Tan, Y.S, Reeks, J, Brown, C.J, Jennings, C.E, Eapen, R.S, Tng, Q.S, Thean, D, Ying, Y.T, Gago, F.J.F, Lane, D.P, Noble, M.E.M, Verma, C. | | Deposit date: | 2014-12-14 | | Release date: | 2016-01-13 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Benzene Probes in Molecular Dynamics Simulations Reveal Novel Binding Sites for Ligand Design.
J Phys Chem Lett, 7, 2016
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