5EAG
 
 | | Saccharomyces cerevisiae CYP51 complexed with the plant pathogen inhibitor Prochloraz | | Descriptor: | Lanosterol 14-alpha demethylase, PROTOPORPHYRIN IX CONTAINING FE, Prochloraz | | Authors: | Tyndall, J.D.A, Sabherwal, M, Sagatova, A.A, Keniya, M.V, Wilson, R.K, Woods, M.V, Monk, B.C. | | Deposit date: | 2015-10-16 | | Release date: | 2016-02-10 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural and Functional Elucidation of Yeast Lanosterol 14 alpha-Demethylase in Complex with Agrochemical Antifungals.
PLoS ONE, 11, 2016
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6RB6
 | | Crystal structure of T. brucei PDE-B1 catalytic domain with inhibitor NPD-053 | | Descriptor: | 1,2-ETHANEDIOL, 3-[5-[(4~{a}~{R},8~{a}~{S})-3-cycloheptyl-4-oxidanylidene-4~{a},5,8,8~{a}-tetrahydrophthalazin-1-yl]-2-methoxy-phenyl]-~{N}-(furan-2-ylmethyl)prop-2-ynamide, FORMIC ACID, ... | | Authors: | Singh, A.K, Brown, D.G. | | Deposit date: | 2019-04-09 | | Release date: | 2019-07-24 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Alkynamide phthalazinones as a new class of TbrPDEB1 inhibitors (Part 2).
Bioorg.Med.Chem., 27, 2019
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1W5S
 | | Structure of the Aeropyrum Pernix ORC2 protein (ADP form) | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ORIGIN RECOGNITION COMPLEX SUBUNIT 2 ORC2, SULFATE ION | | Authors: | Singleton, M.R, Morales, R, Grainge, I, Cook, N, Isupov, M.N, Wigley, D.B. | | Deposit date: | 2004-08-09 | | Release date: | 2004-10-05 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Conformational Changes Induced by Nucleotide Binding in Cdc6/Orc from Aeropyrum Pernix
J.Mol.Biol., 343, 2004
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1W9I
 | | Myosin II Dictyostelium discoideum motor domain S456Y bound with MgADP-BeFx | | Descriptor: | 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, ... | | Authors: | Morris, C.A, Coureux, P.-D, Wells, A.L, Houdusse, A, Sweeney, H.L. | | Deposit date: | 2004-10-13 | | Release date: | 2006-03-16 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Structure-Function Analysis of Myosin II Backdoor Mutants
To be Published
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6R1C
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2G26
 | | Ketopiperazine-Based Renin Inhibitors: Optimization of the "C" Ring | | Descriptor: | (5-{[(2R)-1-(4-{3-[(2-METHOXYBENZYL)OXY]PROPOXY}PHENYL)-6-OXOPIPERAZIN-2-YL]METHOXY}-1H-INDOL-1-YL)ACETIC ACID, Renin | | Authors: | Holsworth, D.D, Jalaiea, M, Zhanga, E, Mcconnella, P. | | Deposit date: | 2006-02-15 | | Release date: | 2006-06-13 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Ketopiperazine-Based Renin Inhibitors: Optimization of the "C" Ring
BIOORG.MED.CHEM.LETT., 16, 2006
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7MU7
 | | Ask1 bound to compound 3 | | Descriptor: | 1,2-ETHANEDIOL, 3-methoxy-N-{6-[4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]pyridin-2-yl}-1-(pyrazin-2-yl)-1H-pyrazole-4-carboxamide, DIMETHYL SULFOXIDE, ... | | Authors: | Chodaparambil, J.V, Marcotte, D.J. | | Deposit date: | 2021-05-14 | | Release date: | 2022-05-18 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.298 Å) | | Cite: | Discovery of Potent, Selective and CNS-Penetrant Apoptosis Signal-regulating Kinase 1 (ASK1) Inhibitors that Modulate Brain Inflammation in Vivo
To Be Published
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7MN2
 | | Rules for designing protein fold switches and their implications for the folding code | | Descriptor: | Sb2 | | Authors: | He, Y, Chen, Y, Ruan, B, Choi, J, Chen, Y, Motabar, D, Solomon, T, Simmerman, R, Kauffman, T, Gallagher, T, Bryan, P, Orban, J. | | Deposit date: | 2021-04-30 | | Release date: | 2022-05-18 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Design and characterization of a protein fold switching network.
Nat Commun, 14, 2023
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6DA9
 | | Crystal structure of the TtnD decarboxylase from the tautomycetin biosynthesis pathway of Streptomyces griseochromogenes with FMN bound at 2.05 A resolution | | Descriptor: | FLAVIN MONONUCLEOTIDE, GLYCEROL, MANGANESE (II) ION, ... | | Authors: | Han, L, Rudolf, J.D, Chang, C.-Y, Miller, M.D, Soman, J, Xu, W, Phillips Jr, G.N, Shen, B, Enzyme Discovery for Natural Product Biosynthesis (NatPro) | | Deposit date: | 2018-05-01 | | Release date: | 2018-10-03 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Biochemical and Structural Characterization of TtnD, a Prenylated FMN-Dependent Decarboxylase from the Tautomycetin Biosynthetic Pathway.
ACS Chem. Biol., 13, 2018
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3KVC
 | | Crystal structure of bovine RPE65 at 1.9 angstrom resolution | | Descriptor: | FE (II) ION, Retinoid isomerohydrolase | | Authors: | Kiser, P.D, Lodowski, D.T, Golczak, M, Palczewski, K. | | Deposit date: | 2009-11-29 | | Release date: | 2010-02-02 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Importance of membrane structural integrity for RPE65 retinoid isomerization activity.
J.Biol.Chem., 285, 2010
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6D86
 | | Structure of the Bovine p85a BH domain | | Descriptor: | Phosphatidylinositol 3-kinase regulatory subunit alpha, SULFATE ION | | Authors: | Moore, S.A, Marshall, J.D, Anderson, D.H. | | Deposit date: | 2018-04-25 | | Release date: | 2018-05-23 | | Last modified: | 2020-01-08 | | Method: | X-RAY DIFFRACTION (2.301 Å) | | Cite: | Patient-derived mutations within the N-terminal domains of p85 alpha impact PTEN or Rab5 binding and regulation.
Sci Rep, 8, 2018
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3KW1
 | | Structural basis of the activity and substrate specificity of the fluoroacetyl-CoA FlK - Wild type FlK in complex with FAcOPan | | Descriptor: | 2-({N-[(2S)-2,4-dihydroxy-3,3-dimethylbutanoyl]-beta-alanyl}amino)ethyl fluoroacetate, Fluoroacetyl-CoA thioesterase | | Authors: | Dias, M.V.B, Huang, F, Chirgadze, D.Y, Tosin, M, Spiteller, D, Valentine, E.F, Leadlay, P.F, Spencer, J.B, Blundell, T.L. | | Deposit date: | 2009-11-30 | | Release date: | 2010-04-28 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural basis for the activity and substrate specificity of fluoroacetyl-CoA thioesterase FlK.
J.Biol.Chem., 285, 2010
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5KRH
 | | Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with 16-benzylidene estrone | | Descriptor: | (8~{R},9~{S},13~{S},14~{S},16~{E})-13-methyl-3-oxidanyl-16-(phenylmethylidene)-6,7,8,9,11,12,14,15-octahydrocyclopenta[ a]phenanthren-17-one, Estrogen receptor, NCOA2 | | Authors: | Nwachukwu, J.C, Srinivasan, S, Bruno, N.E, Nowak, J, Kojetin, D.J, Elemento, O, Katzenellenbogen, J.A, Nettles, K.W. | | Deposit date: | 2016-07-07 | | Release date: | 2017-02-15 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.243 Å) | | Cite: | Systems Structural Biology Analysis of Ligand Effects on ER alpha Predicts Cellular Response to Environmental Estrogens and Anti-hormone Therapies.
Cell Chem Biol, 24, 2017
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5EAD
 | | Saccharomyces cerevisiae CYP51 complexed with the plant pathogen inhibitor S-desthio-prothioconazole | | Descriptor: | (2~{S})-2-(1-chloranylcyclopropyl)-1-(2-chlorophenyl)-3-(1,2,4-triazol-1-yl)propan-2-ol, Lanosterol 14-alpha demethylase, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Tyndall, J.D.A, Sabherwal, M, Sagatova, A.A, Keniya, M.V, Wilson, R.K, Woods, M.V, Monk, B.C. | | Deposit date: | 2015-10-16 | | Release date: | 2016-02-10 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural and Functional Elucidation of Yeast Lanosterol 14 alpha-Demethylase in Complex with Agrochemical Antifungals.
PLoS ONE, 11, 2016
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4FDZ
 | | EutL from Clostridium perfringens, Crystallized Under Reducing Conditions | | Descriptor: | Ethanolamine utilization protein, SODIUM ION | | Authors: | Thompson, M.C, Cascio, D, Crowley, C.S, Kopstein, J.S, Yeates, T.O. | | Deposit date: | 2012-05-29 | | Release date: | 2013-05-29 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.802 Å) | | Cite: | An allosteric model for control of pore opening by substrate binding in the EutL microcompartment shell protein.
Protein Sci., 24, 2015
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7MVZ
 | | Single particle cryo-EM structure of the Chaetomium thermophilum Nup188-Nic96-Nup145N complex (Nup188 residues 1-1858; Nic96 residues 240-301; Nup145N residues 640-732) | | Descriptor: | Nucleoporin NIC96, Nucleoporin NUP145N, Nucleoporin NUP188 | | Authors: | Petrovic, S, Samanta, D, Perriches, T, Bley, C.J, Thierbach, K, Brown, B, Nie, S, Mobbs, G.W, Stevens, T.A, Liu, X, Tomaleri, G.P, Schaus, L, Hoelz, A. | | Deposit date: | 2021-05-15 | | Release date: | 2022-06-15 | | Last modified: | 2024-05-29 | | Method: | ELECTRON MICROSCOPY (2.81 Å) | | Cite: | Architecture of the linker-scaffold in the nuclear pore.
Science, 376, 2022
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7MVT
 | | Crystal structure of the Chaetomium thermophilum Nup192-Nic96 complex (Nup192 residues 185-1756; Nic96 residues 187-301) | | Descriptor: | Nucleoporin NIC96, Nucleoporin NUP192 | | Authors: | Petrovic, S, Samanta, D, Perriches, T, Bley, C.J, Thierbach, K, Brown, B, Nie, S, Mobbs, G.W, Stevens, T.A, Liu, X, Tomaleri, G.P, Schaus, L, Hoelz, A. | | Deposit date: | 2021-05-15 | | Release date: | 2022-06-15 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (3.6 Å) | | Cite: | Architecture of the linker-scaffold in the nuclear pore.
Science, 376, 2022
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2FS4
 | | Ketopiperazine-Based Renin Inhibitors: Optimization of the C ring | | Descriptor: | (6R)-6-({[1-(3-HYDROXYPROPYL)-1,7-DIHYDROQUINOLIN-7-YL]OXY}METHYL)-1-(4-{3-[(2-METHOXYBENZYL)OXY]PROPOXY}PHENYL)PIPERAZIN-2-ONE, Renin | | Authors: | Holsworth, D.D, Cai, C, Cheng, X.-M, Cody, W.L, Downing, D.M, Erasga, N, Lee, C, Powell, N.A, Edmunds, J.J, Stier, M, Jalaie, M, Zhang, E, McConnell, P, Ryan, M.J, Bryant, J, Li, T, Kasani, A, Hall, E, Subedi, R, Rahim, M, Maiti, S. | | Deposit date: | 2006-01-20 | | Release date: | 2006-06-13 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Ketopiperazine-Based Renin Inhibitors: Optimization of the "C" Ring
BIOORG.MED.CHEM.LETT., 16, 2006
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3TVV
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8SMU
 | | Integral fusion of the HtaA CR2 domain from Corynebacterium diphtheriae within EGFP | | Descriptor: | CHLORIDE ION, GLYCEROL, HtaACR2 integral fusion within enhanced green fluorescent protein, ... | | Authors: | Mahoney, B.J, Cascio, D, Clubb, R.T. | | Deposit date: | 2023-04-26 | | Release date: | 2023-09-27 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Development and atomic structure of a new fluorescence-based sensor to probe heme transfer in bacterial pathogens.
J.Inorg.Biochem., 249, 2023
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5E5M
 | | Crystal structure of mouse CTLA-4 in complex with nanobody | | Descriptor: | CTLA-4 nanobody, Cytotoxic T-lymphocyte protein 4, GLYCEROL | | Authors: | Fedorov, A.A, Fedorov, E.V, Samanta, D, Bonanno, J.B, Almo, S.C. | | Deposit date: | 2015-10-08 | | Release date: | 2016-10-12 | | Last modified: | 2019-01-30 | | Method: | X-RAY DIFFRACTION (2.182 Å) | | Cite: | Crystal structure of mouse CTLA-4 in complex with nanobody
To Be Published
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6DF6
 | | Crystal structure of estrogen receptor alpha in complex with receptor degrader 16ab | | Descriptor: | (8R)-8-(4-{2-[3-(fluoromethyl)azetidin-1-yl]ethoxy}phenyl)-1,8-dihydro-2H-[1]benzopyrano[4,3-d][1]benzoxepine-5,11-diol, Estrogen receptor, GLYCEROL | | Authors: | Kiefer, J.R, Vinogradova, M, Liang, J, Zhang, B, Ortwine, D.F, Nettles, K.W, Nwachukwu, J.C. | | Deposit date: | 2018-05-14 | | Release date: | 2019-02-20 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Unexpected equivalent potency of a constrained chromene enantiomeric pair rationalized by co-crystal structures in complex with estrogen receptor alpha.
Bioorg. Med. Chem. Lett., 29, 2019
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7R7M
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6R2T
 | | Aspergillus niger ferulic acid decarboxylase (Fdc) in complex with prFMN (purified in the radical form) and phenylpropiolic acid | | Descriptor: | 1-deoxy-5-O-phosphono-1-(3,3,4,5-tetramethyl-9,11-dioxo-2,3,8,9,10,11-hexahydro-7H-quinolino[1,8-fg]pteridin-12-ium-7-y l)-D-ribitol, Ferulic acid decarboxylase 1, MANGANESE (II) ION, ... | | Authors: | Bailey, S.S, Leys, D. | | Deposit date: | 2019-03-18 | | Release date: | 2019-08-28 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.29 Å) | | Cite: | Atomic description of an enzyme reaction dependent on reversible 1,3-dipolar cycloaddition
to be published
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4UXZ
 | | Structure of delta7-DgkA-syn in 7.9 MAG to 2.18 angstrom resolution | | Descriptor: | (2R)-2,3-dihydroxypropyl (7Z)-hexadec-7-enoate, (2S)-2,3-dihydroxypropyl (7Z)-hexadec-7-enoate, ACETATE ION, ... | | Authors: | Li, D, Howe, N, Caffrey, M. | | Deposit date: | 2014-08-27 | | Release date: | 2015-09-30 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.18 Å) | | Cite: | Ternary Structure Reveals Mechanism of a Membrane Diacylglycerol Kinase.
Nat.Commun., 6, 2015
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