4FYZ
 
 | | Crystal Structure of Nitrosyl Cytochrome P450cin | | Descriptor: | 1,3,3-TRIMETHYL-2-OXABICYCLO[2.2.2]OCTANE, DI(HYDROXYETHYL)ETHER, NITRIC OXIDE, ... | | Authors: | Madrona, Y, Tripathi, S.M, Li, H, Poulos, T.L. | | Deposit date: | 2012-07-05 | | Release date: | 2012-07-25 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.32 Å) | | Cite: | Crystal structures of substrate-free and nitrosyl cytochrome p450cin: implications for o(2) activation.
Biochemistry, 51, 2012
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5AC1
 | | Sheep aldehyde dehydrogenase 1A1 with duocarmycin analog inhibitor | | Descriptor: | 1-[(1S)-1-methyl-5-oxidanyl-1,2-dihydrobenzo[e]indol-3-yl]hexan-1-one, MAGNESIUM ION, RETINAL DEHYDROGENASE 1, ... | | Authors: | Koch, M.F, Harteis, S, Blank, I.D, Pestel, G, Tietze, L.F, Ochsenfeld, C, Schneider, S, Sieber, S.A. | | Deposit date: | 2015-08-11 | | Release date: | 2015-08-26 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.08 Å) | | Cite: | Structural, Biochemical, and Computational Studies Reveal the Mechanism of Selective Aldehyde Dehydrogenase 1A1 Inhibition by Cytotoxic Duocarmycin Analogues.
Angew.Chem.Int.Ed.Engl., 54, 2015
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5AF7
 | | 3-Sulfinopropionyl-coenzyme A (3SP-CoA) desulfinase from Advenella mimigardefordensis DPN7T: crystal structure and function of a desulfinase with an acyl-CoA dehydrogenase fold. Native crystal structure | | Descriptor: | ACYL-COA DEHYDROGENASE, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL | | Authors: | Cianci, M, Schuermann, M, Meijers, R, Schneider, T.R, Steinbuechel, A. | | Deposit date: | 2015-01-20 | | Release date: | 2015-06-03 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | 3-Sulfinopropionyl-Coenzyme a (3Sp-Coa) Desulfinase from Advenella Mimigardefordensis Dpn7(T): Crystal Structure and Function of a Desulfinase with an Acyl-Coa Dehydrogenase Fold.
Acta Crystallogr.,Sect.D, 71, 2015
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3V9L
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8P1H
 | | Crystal structure of the chimera of human 14-3-3 zeta and phosphorylated cytoplasmic loop fragment of the alpha7 acetylcholine receptor | | Descriptor: | 1,2-ETHANEDIOL, AZIDE ION, BENZOIC ACID, ... | | Authors: | Boyko, K.M, Kapitonova, A.A, Tugaeva, K.V, Varfolomeeva, L.A, Lyukmanova, E.N, Sluchanko, N.N. | | Deposit date: | 2023-05-12 | | Release date: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Crystal structure reveals canonical recognition of the phosphorylated cytoplasmic loop of human alpha7 nicotinic acetylcholine receptor by 14-3-3 protein.
Biochem.Biophys.Res.Commun., 682, 2023
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5AC0
 | | ovis aries Aldehyde Dehydrogenase 1A1 in complex with a duocarmycin analog | | Descriptor: | 1-[(1S)-1-methyl-5-oxidanyl-1,2-dihydrobenzo[e]indol-3-yl]hexan-1-one, MAGNESIUM ION, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | | Authors: | Koch, M.F, Harteis, S, Blank, I.D, Pestel, G, Tietze, L.F, Ochsenfeld, C, Schneider, S, Sieber, S.A. | | Deposit date: | 2015-08-10 | | Release date: | 2015-08-26 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural, Biochemical, and Computational Studies Reveal the Mechanism of Selective Aldehyde Dehydrogenase 1A1 Inhibition by Cytotoxic Duocarmycin Analogues.
Angew.Chem.Int.Ed.Engl., 54, 2015
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5A9S
 | | NADPH complex of Imine Reductase from Amycolatopsis orientalis | | Descriptor: | CALCIUM ION, IMINE REDUCTASE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Man, H, Aleku, G, Turner, N.J, Grogan, G. | | Deposit date: | 2015-07-22 | | Release date: | 2016-06-01 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.06 Å) | | Cite: | Stereoselectivity and Structural Characterization of an Imine Reductase (IRED) from Amycolatopsis orientalis
Acs Catalysis, 6, 2016
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6T8G
 | | Stalled FtsK motor domain bound to dsDNA | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, DNA translocase FtsK, dsDNA substrate | | Authors: | Jean, N.L, Lowe, J. | | Deposit date: | 2019-10-24 | | Release date: | 2019-11-20 | | Last modified: | 2024-05-22 | | Method: | ELECTRON MICROSCOPY (4.34 Å) | | Cite: | FtsK in motion reveals its mechanism for double-stranded DNA translocation.
Proc.Natl.Acad.Sci.USA, 117, 2020
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5AIM
 | | Crystal structure of T138 central eWH domain | | Descriptor: | GLYCEROL, TRANSCRIPTION FACTOR TAU 138 KDA SUBUNIT | | Authors: | Male, G, Glatt, S, Mueller, C.W. | | Deposit date: | 2015-02-16 | | Release date: | 2015-06-24 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.401 Å) | | Cite: | Architecture of TFIIIC and its role in RNA polymerase III pre-initiation complex assembly.
Nat Commun, 6, 2015
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1BJ6
 | | 1H NMR OF (12-53) NCP7/D(ACGCC) COMPLEX, 10 STRUCTURES | | Descriptor: | DNA (5'-D(*AP*CP*GP*CP*C)-3'), NUCLEOCAPSID PROTEIN 7, ZINC ION | | Authors: | Demene, H, Morellet, N, Teilleux, V, Huynh-Dinh, T, De Rocquigny, H, Fournie-Zaluski, M.C, Roques, B.P. | | Deposit date: | 1998-07-03 | | Release date: | 1999-02-02 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Structure of the complex between the HIV-1 nucleocapsid protein NCp7 and the single-stranded pentanucleotide d(ACGCC).
J.Mol.Biol., 283, 1998
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8OYP
 | | Crystal structure of Ubiquitin specific protease 11 (USP11) in complex with a substrate mimetic | | Descriptor: | CADMIUM ION, CHLORIDE ION, GLYCEROL, ... | | Authors: | Maurer, S.K, Caulton, S.G, Ward, S.J, Emsley, J, Dreveny, I. | | Deposit date: | 2023-05-05 | | Release date: | 2023-10-18 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.44 Å) | | Cite: | Ubiquitin-specific protease 11 structure in complex with an engineered substrate mimetic reveals a molecular feature for deubiquitination selectivity.
J.Biol.Chem., 299, 2023
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1CA1
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8P33
 | | BB0238 from Borrelia burgdorferi | | Descriptor: | BB0238 | | Authors: | Brangulis, K, Foor, S.D, Shakya, A.K, Rana, V.S, Bista, S, Kitsou, C, Ronzetti, M, Linden, S.B, Altieri, A.S, Akopjana, I, Baljinnyam, B, Nelson, D.C, Simeonov, A, Herzberg, O, Caimano, M.J, Pal, U. | | Deposit date: | 2023-05-16 | | Release date: | 2023-10-11 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | A unique borrelial protein facilitates microbial immune evasion.
Mbio, 14, 2023
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5A3N
 | | Crystal structure of human PLU-1 (JARID1B) in complex with KDOAM25a | | Descriptor: | 1,2-ETHANEDIOL, 2-[[[2-[2-(dimethylamino)ethyl-ethyl-amino]-2-oxidanylidene-ethyl]amino]methyl]pyridine-4-carboxamide, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | | Authors: | Srikannathasan, V, Johansson, C, Gileadi, C, Nuzzi, A, Ruda, G.F, Kopec, J, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A, Brennan, P, Oppermann, U. | | Deposit date: | 2015-06-02 | | Release date: | 2015-07-08 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Potent and Selective KDM5 Inhibitor Stops Cellular Demethylation of H3K4me3 at Transcription Start Sites and Proliferation of MM1S Myeloma Cells.
Cell Chem Biol, 24, 2017
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1BLI
 | | BACILLUS LICHENIFORMIS ALPHA-AMYLASE | | Descriptor: | ALPHA-AMYLASE, CALCIUM ION, SODIUM ION | | Authors: | Machius, M, Declerck, N, Huber, R, Wiegand, G. | | Deposit date: | 1998-01-07 | | Release date: | 1999-03-23 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Activation of Bacillus licheniformis alpha-amylase through a disorder-->order transition of the substrate-binding site mediated by a calcium-sodium-calcium metal triad.
Structure, 6, 1998
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8I3Z
 | | Crystal structure of NAD-II riboswitch (two strands) with NMN at 1.67 angstrom | | Descriptor: | BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE, RNA (31-MER), RNA (5'-R(*AP*GP*AP*GP*CP*GP*UP*UP*GP*CP*GP*UP*CP*CP*GP*AP*AP*AP*GP*UP*(CBV)P*GP*CP*C)-3'), ... | | Authors: | Peng, X, Lilley, D.M.J, Huang, L. | | Deposit date: | 2023-01-18 | | Release date: | 2023-03-22 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (1.67 Å) | | Cite: | Crystal structures of the NAD+-II riboswitch reveal two distinct ligand-binding pockets.
Nucleic Acids Res., 51, 2023
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7ZQV
 | | Structure of the SARS-CoV-2 main protease in complex with AG7404 | | Descriptor: | 3C-like proteinase nsp5, ethyl (4R)-4-({(2S)-2-[3-{[(5-methyl-1,2-oxazol-3-yl)carbonyl]amino}-2-oxopyridin-1(2H)-yl]pent-4-ynoyl}amino)-5-[(3S)-2-oxopyrrolidin-3-yl]pentanoate | | Authors: | Fabrega-Ferrer, M, Herrera-Morande, A, Perez-Saavedra, J, Coll, M. | | Deposit date: | 2022-05-03 | | Release date: | 2022-12-28 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.26 Å) | | Cite: | Structure and inhibition of SARS-CoV-1 and SARS-CoV-2 main proteases by oral antiviral compound AG7404.
Antiviral Res., 208, 2022
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6KMP
 | | 100K X-ray structure of HIV-1 protease triple mutant (V32I,I47V,V82I) with tetrahedral intermediate mimic KVS-1 | | Descriptor: | N~2~-[(2R,5S)-5-({(2S,3S)-2-[(N-acetyl-L-threonyl)amino]-3-methylpent-4-enoyl}amino)-2-butyl-4,4-dihydroxynonanoyl]-L-glutaminyl-L-argininamide, Protease | | Authors: | Das, A, Kovalevsky, A. | | Deposit date: | 2019-07-31 | | Release date: | 2020-07-29 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.31 Å) | | Cite: | Visualizing Tetrahedral Oxyanion Bound in HIV-1 Protease Using Neutrons: Implications for the Catalytic Mechanism and Drug Design.
Acs Omega, 5, 2020
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3V9I
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7ZQW
 | | Structure of the SARS-CoV-1 main protease in complex with AG7404 | | Descriptor: | 3C-like proteinase nsp5, ethyl (4R)-4-({(2S)-2-[3-{[(5-methyl-1,2-oxazol-3-yl)carbonyl]amino}-2-oxopyridin-1(2H)-yl]pent-4-ynoyl}amino)-5-[(3S)-2-oxopyrrolidin-3-yl]pentanoate | | Authors: | Muriel-Goni, S, Fabrega-Ferrer, M, Herrera-Morande, A, Coll, M. | | Deposit date: | 2022-05-03 | | Release date: | 2022-12-28 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.53 Å) | | Cite: | Structure and inhibition of SARS-CoV-1 and SARS-CoV-2 main proteases by oral antiviral compound AG7404.
Antiviral Res., 208, 2022
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1BLP
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6TJY
 | | Crystal structure of haemagglutinin from (A/seal/Germany/1/2014) seal H10N7 influenza virus | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | Authors: | Zhang, J, Xiong, X, Purkiss, A, Walker, P, Gamblin, S, Skehel, J.J. | | Deposit date: | 2019-11-27 | | Release date: | 2020-10-21 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.82 Å) | | Cite: | Hemagglutinin Traits Determine Transmission of Avian A/H10N7 Influenza Virus between Mammals.
Cell Host Microbe, 28, 2020
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8P4Q
 | | Structure of the IMP dehydrogenase related protein GUAB3 from Synechocystis PCC 6803 | | Descriptor: | IMP dehydrogenase subunit, INOSINIC ACID, XANTHOSINE-5'-MONOPHOSPHATE | | Authors: | Hernandez-Gomez, A, Fernandez-Justel, D, Buey, R.M. | | Deposit date: | 2023-05-23 | | Release date: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | GuaB3, an overlooked enzyme in cyanobacteria's toolbox that sheds light on IMP dehydrogenase evolution.
Structure, 31, 2023
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1BSL
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1BUC
 | | THREE-DIMENSIONAL STRUCTURE OF BUTYRYL-COA DEHYDROGENASE FROM MEGASPHAERA ELSDENII | | Descriptor: | ACETOACETYL-COENZYME A, BUTYRYL-COA DEHYDROGENASE, FLAVIN-ADENINE DINUCLEOTIDE | | Authors: | Djordjevic, S, Pace, C.P, Stankovich, M.T, Kim, J.J.P. | | Deposit date: | 1994-09-06 | | Release date: | 1995-04-20 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Three-dimensional structure of butyryl-CoA dehydrogenase from Megasphaera elsdenii.
Biochemistry, 34, 1995
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