7RS0
 
 | | Crystal Structure of the ER-alpha Ligand-binding Domain (L372S, L536S) in complex with DMERI-18 | | Descriptor: | (1R,2S,4R,5R,6R)-5-(4-hydroxyphenyl)-N-(4-methoxyphenyl)-6-(4-propoxyphenyl)-N-(2,2,2-trifluoroethyl)-7-oxabicyclo[2.2.1]heptane-2-sulfonamide, Estrogen receptor | | Authors: | Min, J, Nwachukwu, J.C, Min, C.K, Njeri, J.W, Srinivasan, S, Rangarajan, E.S, Nettles, C.C, Yan, S, Houtman, R, Griffin, P.R, Izard, T, Katzenellenbogen, B.S, Katzenellenbogen, J.A, Nettles, K.W. | | Deposit date: | 2021-08-10 | | Release date: | 2021-09-08 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.67 Å) | | Cite: | Dual-mechanism estrogen receptor inhibitors.
Proc.Natl.Acad.Sci.USA, 118, 2021
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7RS8
 | | Crystal Structure of the ER-alpha Ligand-binding Domain (L372S, L536S) in complex with DMERI-16 | | Descriptor: | (1R,2S,4R)-5-(4-hydroxyphenyl)-N-(4-methoxyphenyl)-6-{4-[2-(piperidin-1-yl)ethoxy]phenyl}-N-(2,2,2-trifluoroethyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide, Estrogen receptor | | Authors: | Min, J, Nwachukwu, J.C, Min, C.K, Njeri, J.W, Srinivasan, S, Rangarajan, E.S, Nettles, C.C, Yan, S, Houtman, R, Griffin, P.R, Izard, T, Katzenellenbogen, B.S, Katzenellenbogen, J.A, Nettles, K.W. | | Deposit date: | 2021-08-11 | | Release date: | 2021-09-22 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.64 Å) | | Cite: | Dual-mechanism estrogen receptor inhibitors.
Proc.Natl.Acad.Sci.USA, 118, 2021
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7RRX
 | | Crystal Structure of the ER-alpha Ligand-binding Domain (L372S, L536S) in complex with DMERI-19 | | Descriptor: | (1S,2R,4S)-5,6-bis(4-hydroxyphenyl)-N-{4-[2-(piperidin-1-yl)ethoxy]phenyl}-N-(2,2,2-trifluoroethyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide, CHLORIDE ION, Estrogen receptor | | Authors: | Min, J, Nwachukwu, J.C, Min, C.K, Njeri, J.W, Srinivasan, S, Rangarajan, E.S, Nettles, C.C, Yan, S, Houtman, R, Griffin, P.R, Izard, T, Katzenellenbogen, B.S, Katzenellenbogen, J.A, Nettles, K.W. | | Deposit date: | 2021-08-10 | | Release date: | 2021-09-22 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | Dual-mechanism estrogen receptor inhibitors.
Proc.Natl.Acad.Sci.USA, 118, 2021
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7S67
 | | Extended conformation of daytime state KaiC | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Circadian clock protein kinase KaiC, ... | | Authors: | Sandate, C.R, Swan, J.A, Partch, C.L, Lander, G.C. | | Deposit date: | 2021-09-13 | | Release date: | 2021-09-22 | | Last modified: | 2024-06-05 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | Coupling of distant ATPase domains in the circadian clock protein KaiC.
Nat.Struct.Mol.Biol., 29, 2022
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7S65
 | | Compressed conformation of nighttime state KaiC | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Circadian clock protein kinase KaiC, ... | | Authors: | Sandate, C.R, Swan, J.A, Partch, C.L, Lander, G.C. | | Deposit date: | 2021-09-13 | | Release date: | 2021-09-22 | | Last modified: | 2024-06-05 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Coupling of distant ATPase domains in the circadian clock protein KaiC.
Nat.Struct.Mol.Biol., 29, 2022
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7S66
 | | Extended conformation of nighttime state KaiC | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Circadian clock protein kinase KaiC, MAGNESIUM ION | | Authors: | Sandate, C.R, Swan, J.A, Partch, C.L, Lander, G.C. | | Deposit date: | 2021-09-13 | | Release date: | 2021-09-22 | | Last modified: | 2024-06-05 | | Method: | ELECTRON MICROSCOPY (2.8 Å) | | Cite: | Coupling of distant ATPase domains in the circadian clock protein KaiC.
Nat.Struct.Mol.Biol., 29, 2022
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7RS7
 | | Crystal Structure of the ER-alpha Ligand-binding Domain (L372S, L536S) in complex with DMERI-30 | | Descriptor: | (1S,2R,4S,5S,6S)-N,5,6-tris(4-hydroxyphenyl)-N-(2,2,2-trifluoroethyl)-7-oxabicyclo[2.2.1]heptane-2-sulfonamide, Estrogen receptor | | Authors: | Min, J, Nwachukwu, J.C, Min, C.K, Njeri, J.W, Srinivasan, S, Rangarajan, E.S, Nettles, C.C, Yan, S, Houtman, R, Griffin, P.R, Izard, T, Katzenellenbogen, B.S, Katzenellenbogen, J.A, Nettles, K.W. | | Deposit date: | 2021-08-11 | | Release date: | 2021-09-22 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.58 Å) | | Cite: | Dual-mechanism estrogen receptor inhibitors.
Proc.Natl.Acad.Sci.USA, 118, 2021
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7RWL
 | | Envelope-associated Adeno-associated virus serotype 2 | | Descriptor: | Capsid protein VP1 | | Authors: | Hull, J.A, Mietzsch, M, Chipman, P, Strugatsky, D, McKenna, R. | | Deposit date: | 2021-08-20 | | Release date: | 2021-10-20 | | Last modified: | 2024-06-05 | | Method: | ELECTRON MICROSCOPY (3.14 Å) | | Cite: | Structural characterization of an envelope-associated adeno-associated virus type 2 capsid.
Virology, 565, 2021
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7RWT
 | | Adeno-associated virus type 2 | | Descriptor: | Capsid protein VP1 | | Authors: | Hull, J.A, Mietzsch, M, Chipman, P, Strugatsky, D, McKenna, R. | | Deposit date: | 2021-08-20 | | Release date: | 2021-10-20 | | Last modified: | 2024-06-05 | | Method: | ELECTRON MICROSCOPY (2.43 Å) | | Cite: | Structural characterization of an envelope-associated adeno-associated virus type 2 capsid.
Virology, 565, 2021
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7S3N
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2VAR
 | | Crystal structure of Sulfolobus solfataricus 2-keto-3-deoxygluconate kinase complexed with 2-keto-3-deoxygluconate | | Descriptor: | 2-KETO-3-DEOXYGLUCONATE, 3-deoxy-alpha-D-erythro-hex-2-ulofuranosonic acid, ADENOSINE MONOPHOSPHATE, ... | | Authors: | Potter, J.A, Theodossis, A, Kerou, M, Lamble, H.J, Bull, S.D, Hough, D.W, Danson, M.J, Taylor, G.L. | | Deposit date: | 2007-09-04 | | Release date: | 2007-10-02 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | The Structure of Sulfolobus Solfataricus 2-Keto-3-Deoxygluconate Kinase.
Acta Crystallogr.,Sect.D, 64, 2008
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2VK7
 | | THE STRUCTURE OF CLOSTRIDIUM PERFRINGENS NANI SIALIDASE AND ITS CATALYTIC INTERMEDIATES | | Descriptor: | 5-acetamido-3,5-dideoxy-3-fluoro-D-erythro-alpha-L-manno-non-2-ulopyranosonic acid, CALCIUM ION, EXO-ALPHA-SIALIDASE | | Authors: | Newstead, S.L, Potter, J.A, Wilson, J.C, Xu, G, Chien, C.H, Watts, A.G, Withers, S.G, Taylor, G.L. | | Deposit date: | 2007-12-17 | | Release date: | 2008-01-22 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | The Structure of Clostridium Perfringens Nani Sialidase and its Catalytic Intermediates.
J.Biol.Chem., 283, 2008
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2POG
 | | Benzopyrans as Selective Estrogen Receptor b Agonists (SERBAs). Part 2: Structure Activity Relationship Studies on the Benzopyran Scaffold. | | Descriptor: | (3AS,4R,9BR)-4-(4-HYDROXYPHENYL)-1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN-9-OL, Estrogen receptor | | Authors: | Richardson, T.I, Norman, B.H, Lugar, C.W, Jones, S.A, Wang, Y, Durbin, J.D, Krishnan, V, Dodge, J.A. | | Deposit date: | 2007-04-26 | | Release date: | 2007-09-11 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.84 Å) | | Cite: | Benzopyrans as selective estrogen receptor beta agonists (SERBAs). Part 2: structure-activity relationship studies on the benzopyran scaffold.
Bioorg.Med.Chem.Lett., 17, 2007
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1BFD
 | | BENZOYLFORMATE DECARBOXYLASE FROM PSEUDOMONAS PUTIDA | | Descriptor: | BENZOYLFORMATE DECARBOXYLASE, CALCIUM ION, MAGNESIUM ION, ... | | Authors: | Hasson, M.S, Muscate, A, Mcleish, M.J, Polovnikova, L.S, Gerlt, J.A, Kenyon, G.L, Petsko, G.A, Ringe, D. | | Deposit date: | 1998-04-30 | | Release date: | 1998-06-24 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | The crystal structure of benzoylformate decarboxylase at 1.6 A resolution: diversity of catalytic residues in thiamin diphosphate-dependent enzymes.
Biochemistry, 37, 1998
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7PTH
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7PTJ
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6VSD
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6VSG
 | | Mycobacterium tuberculosis dihydrofolate reductase in complex with 4-(trifluoromethyl)benzene-1,2-diamine(fragment 17) | | Descriptor: | 4-(TRIFLUOROMETHYL)BENZENE-1,2-DIAMINE, COBALT (II) ION, Dihydrofolate reductase, ... | | Authors: | Ribeiro, J.A, Dias, M.V.B. | | Deposit date: | 2020-02-11 | | Release date: | 2020-07-15 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.304 Å) | | Cite: | Using a Fragment-Based Approach to Identify Alternative Chemical Scaffolds Targeting Dihydrofolate Reductase fromMycobacterium tuberculosis.
Acs Infect Dis., 6, 2020
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2Q6C
 | | Design and synthesis of novel, conformationally restricted HMG-COA reductase inhibitors | | Descriptor: | (3R,5R)-7-[1-(4-FLUOROPHENYL)-3-ISOPROPYL-4-OXO-5-PHENYL-4,5-DIHYDRO-3H-PYRROLO[2,3-C]QUINOLIN-2-YL]-3,5-DIHYDROXYHEPTANOIC ACID, 3-hydroxy-3-methylglutaryl-coenzyme A reductase, SULFATE ION | | Authors: | Pavlovsky, A, Pfefferkorn, J.A, Harris, M.S, Finzel, B.C. | | Deposit date: | 2007-06-04 | | Release date: | 2007-07-17 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Design and synthesis of novel, conformationally restricted HMG-CoA reductase inhibitors.
Bioorg.Med.Chem.Lett., 17, 2007
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6ALR
 | | VioC L-arginine hydroxylase bound to the vanadyl ion, L-arginine, and succinate | | Descriptor: | ARGININE, Alpha-ketoglutarate-dependent L-arginine hydroxylase, SUCCINIC ACID, ... | | Authors: | Mitchell, A.J, Dunham, N.P, Bergman, J.A, Boal, A.K. | | Deposit date: | 2017-08-08 | | Release date: | 2017-09-06 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Visualizing the Reaction Cycle in an Iron(II)- and 2-(Oxo)-glutarate-Dependent Hydroxylase.
J. Am. Chem. Soc., 139, 2017
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9BCC
 | | Structure of KLHDC2 bound to SJ46418 | | Descriptor: | COBALT HEXAMMINE(III), Kelch domain-containing protein 2, N-({2-[8-(2-methoxyethoxy)naphthalen-2-yl]-1,3-thiazol-4-yl}acetyl)glycine | | Authors: | Scott, D.C, Dharuman, S, Griffith, E, Chai, S.C, Ronnebaum, J, King, M.T, Tangallapally, R, Lee, C, Gee, C.T, Lee, H.W, Ochoada, J, Miller, D.J, Jayasinghe, T, Paulo, J.A, Elledge, S.J, Harper, J.W, Chen, T, Lee, R.E, Schulman, B.A. | | Deposit date: | 2024-04-08 | | Release date: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Principles of isoform-specific targeted protein degradation engaging the C-degron E3 KLHDC2
To Be Published
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7QG6
 | | Co-crystal structure of UPF3A-RRM-NOPS-L with UPF2-MIF4GIII | | Descriptor: | CHLORIDE ION, Regulator of nonsense transcripts 2, Regulator of nonsense transcripts 3A, ... | | Authors: | Powers, K.T, Bufton, J.C, Szeto, J.A, Schaffitzel, C. | | Deposit date: | 2021-12-07 | | Release date: | 2022-07-20 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.95 Å) | | Cite: | Structures of nonsense-mediated mRNA decay factors UPF3B and UPF3A in complex with UPF2 reveal molecular basis for competitive binding and for neurodevelopmental disorder-causing mutation.
Nucleic Acids Res., 50, 2022
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2PP0
 | | Crystal structure of L-talarate/galactarate dehydratase from Salmonella typhimurium LT2 | | Descriptor: | GLYCEROL, L-talarate/Galactarate Dehydratase | | Authors: | Fedorov, A.A, Fedorov, E.V, Yew, W.S, Gerlt, J.A, Almo, S.C. | | Deposit date: | 2007-04-27 | | Release date: | 2007-08-07 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Evolution of enzymatic activities in the enolase superfamily: L-talarate/galactarate dehydratase from Salmonella typhimurium LT2.
Biochemistry, 46, 2007
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7Q65
 | | Cryo-em structure of the Nup98 fibril polymorph 2 | | Descriptor: | Nuclear pore complex protein Nup98 | | Authors: | Ibanez de Opakua, A, Geraets, J.A, Frieg, B, Dienemann, C, Savastano, A, Rankovic, M, Cima-Omori, M.-S, Schroeder, G.F, Zweckstetter, M. | | Deposit date: | 2021-11-05 | | Release date: | 2022-10-12 | | Last modified: | 2024-07-17 | | Method: | ELECTRON MICROSCOPY (3.32 Å) | | Cite: | Molecular interactions of FG nucleoporin repeats at high resolution.
Nat.Chem., 14, 2022
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6VSF
 | | Mycobacterium tuberculosis dihydrofolate reductase in complex with 4-(3,4-dihydro-2H-benzo[b][1,4]dioxepin-7-yl)-4-oxobutanoic acid(fragment 16) | | Descriptor: | 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxobutanoic acid, COBALT (II) ION, Dihydrofolate reductase, ... | | Authors: | Ribeiro, J.A, Dias, M.V.B. | | Deposit date: | 2020-02-11 | | Release date: | 2020-07-15 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.012 Å) | | Cite: | Using a Fragment-Based Approach to Identify Alternative Chemical Scaffolds Targeting Dihydrofolate Reductase fromMycobacterium tuberculosis.
Acs Infect Dis., 6, 2020
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