6OIF
 
 | | Cryo-EM structure of human TorsinA filament | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Torsin-1A | | Authors: | Zheng, W, Demircioglu, F.E, Schwartz, T.U, Egelman, E.H. | | Deposit date: | 2019-04-09 | | Release date: | 2019-07-24 | | Last modified: | 2019-12-11 | | Method: | ELECTRON MICROSCOPY (4.4 Å) | | Cite: | The AAA + ATPase TorsinA polymerizes into hollow helical tubes with 8.5 subunits per turn.
Nat Commun, 10, 2019
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6OKO
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8ABW
 | | Crystal structure of SpLdpA in complex with threo-DGPD | | Descriptor: | (1R,2R)-1,2-bis(3-methoxy-4-oxidanyl-phenyl)propane-1,3-diol, (1S,2S)-1,2-bis(3-methoxy-4-oxidanyl-phenyl)propane-1,3-diol, SULFATE ION, ... | | Authors: | Zahn, M, Kuatsjah, E, Beckham, G.T, McGeehan, J.E. | | Deposit date: | 2022-07-04 | | Release date: | 2023-02-01 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.83 Å) | | Cite: | Biochemical and structural characterization of a sphingomonad diarylpropane lyase for cofactorless deformylation.
Proc.Natl.Acad.Sci.USA, 120, 2023
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6OA9
 | | Cdc48-Npl4 complex processing poly-ubiquitinated substrate in the presence of ATP | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Cell division control protein 48, ... | | Authors: | Twomey, E.C, Ji, Z, Wales, T.E, Bodnar, N.O, Engen, J.R, Rapoport, T.A. | | Deposit date: | 2019-03-15 | | Release date: | 2019-07-03 | | Last modified: | 2024-03-20 | | Method: | ELECTRON MICROSCOPY (3.9 Å) | | Cite: | Substrate processing by the Cdc48 ATPase complex is initiated by ubiquitin unfolding.
Science, 365, 2019
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1BQM
 | | HIV-1 RT/HBY 097 | | Descriptor: | (S)-4-ISOPROPOXYCARBONYL-6-METHOXY-3-METHYLTHIOMETHYL-3,4-DIHYDROQUINOXALIN-2(1H)-THIONE, REVERSE TRANSCRIPTASE | | Authors: | Hsiou, Y, Das, K, Ding, J, Arnold, E. | | Deposit date: | 1998-08-17 | | Release date: | 1999-01-06 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Structures of Tyr188Leu mutant and wild-type HIV-1 reverse transcriptase complexed with the non-nucleoside inhibitor HBY 097: inhibitor flexibility is a useful design feature for reducing drug resistance.
J.Mol.Biol., 284, 1998
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1BQN
 | | TYR 188 LEU HIV-1 RT/HBY 097 | | Descriptor: | (S)-4-ISOPROPOXYCARBONYL-6-METHOXY-3-METHYLTHIOMETHYL-3,4-DIHYDROQUINOXALIN-2(1H)-THIONE, REVERSE TRANSCRIPTASE | | Authors: | Hsiou, Y, Das, K, Ding, J, Arnold, E. | | Deposit date: | 1998-08-17 | | Release date: | 1999-01-06 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Structures of Tyr188Leu mutant and wild-type HIV-1 reverse transcriptase complexed with the non-nucleoside inhibitor HBY 097: inhibitor flexibility is a useful design feature for reducing drug resistance.
J.Mol.Biol., 284, 1998
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5KRA
 | | Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with DDT and DDE | | Descriptor: | 1-[2,2-bis(chloranyl)-1-(4-chlorophenyl)ethenyl]-4-chloranyl-benzene, 1-chloranyl-4-[2,2,2-tris(chloranyl)-1-(4-chlorophenyl)ethyl]benzene, Estrogen receptor, ... | | 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 (2.401 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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6U0P
 | | Crystal structure of PieE, the flavin-dependent monooxygenase involved in the biosynthesis of piericidin A1 | | Descriptor: | 2,4-dichlorophenol 6-monooxygenase, CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, ... | | Authors: | Shi, R, Manenda, M, Picard, M.-E. | | Deposit date: | 2019-08-14 | | Release date: | 2020-03-11 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.02 Å) | | Cite: | Structural analyses of the Group A flavin-dependent monooxygenase PieE reveal a sliding FAD cofactor conformation bridging OUT and IN conformations.
J.Biol.Chem., 295, 2020
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1CRC
 | | CYTOCHROME C AT LOW IONIC STRENGTH | | Descriptor: | CYTOCHROME C, HEME C | | Authors: | Sanishvili, R, Volz, K.W, Westbrook, E.M, Margoliash, E. | | Deposit date: | 1995-03-22 | | Release date: | 1996-03-08 | | Last modified: | 2021-03-10 | | Method: | X-RAY DIFFRACTION (2.08 Å) | | Cite: | The low ionic strength crystal structure of horse cytochrome c at 2.1 A resolution and comparison with its high ionic strength counterpart.
Structure, 3, 1995
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1D9K
 | | CRYSTAL STRUCTURE OF COMPLEX BETWEEN D10 TCR AND PMHC I-AK/CA | | Descriptor: | 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, CONALBUMIN PEPTIDE, ... | | Authors: | Reinherz, E.L, Tan, K, Tang, L, Kern, P, Liu, J.-H, Xiong, Y, Hussey, R.E, Smolyar, A, Hare, B, Zhang, R, Joachimiak, A, Chang, H.-C, Wagner, G, Wang, J.-H. | | Deposit date: | 1999-10-28 | | Release date: | 1999-12-15 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | The crystal structure of a T cell receptor in complex with peptide and MHC class II.
Science, 286, 1999
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1CX9
 | | CRYSTAL STRUCTURE OF THE COMPLEX OF BACTERIAL TRYPTOPHAN SYNTHASE WITH THE TRANSITION STATE ANALOGUE INHIBITOR 4-(2-AMINOPHENYLTHIO)-BUTYLPHOSPHONIC ACID | | Descriptor: | 4-(2-AMINOPHENYLTHIO)-BUTYLPHOSPHONIC ACID, PYRIDOXAL-5'-PHOSPHATE, SODIUM ION, ... | | Authors: | Sachpatzidis, A, Dealwis, C, Lubetsky, J.B, Liang, P.H, Anderson, K.S, Lolis, E. | | Deposit date: | 1999-08-29 | | Release date: | 1999-12-29 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystallographic studies of phosphonate-based alpha-reaction transition-state analogues complexed to tryptophan synthase.
Biochemistry, 38, 1999
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2PI0
 | | Crystal Structure of IRF-3 bound to the PRDIII-I regulatory element of the human interferon-B enhancer | | Descriptor: | Interferon regulatory factor 3, PRDIII-I region of human interferon-B promoter strand 1, PRDIII-I region of human interferon-B promoter strand 2 | | Authors: | Escalante, C.R, Nistal-Villan, E, Leyi, S, Garcia-Sastre, A, Aggarwal, A.K. | | Deposit date: | 2007-04-12 | | Release date: | 2007-10-30 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.31 Å) | | Cite: | Structure of IRF-3 bound to the PRDIII-I regulatory element of the human interferon-beta enhancer.
Mol.Cell, 26, 2007
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6OWR
 | | NMR solution structure of YfiD | | Descriptor: | Autonomous glycyl radical cofactor | | Authors: | Bowman, S.E.J, Drennan, C.L. | | Deposit date: | 2019-05-10 | | Release date: | 2019-07-10 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Solution structure and biochemical characterization of a spare part protein that restores activity to an oxygen-damaged glycyl radical enzyme.
J.Biol.Inorg.Chem., 24, 2019
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4X89
 | | NavMs voltage-gated sodium channal pore and C-terminal domain soaked with Silver nitrate | | Descriptor: | HEGA-10, Ion transport protein, PENTAETHYLENE GLYCOL, ... | | Authors: | Naylor, C.E, Bagneris, C, Wallace, B.A. | | Deposit date: | 2014-12-10 | | Release date: | 2016-03-09 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.62 Å) | | Cite: | Molecular basis of ion permeability in a voltage-gated sodium channel.
Embo J., 35, 2016
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8FMW
 | | The structure of a hibernating ribosome in the Lyme disease pathogen | | Descriptor: | 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ... | | Authors: | Sharma, M.R, Manjari, S.R, Agrawal, E.K, Keshavan, P, Koripella, R.K, Majumdar, S, Marcinkiewicz, A.L, Lin, Y.P, Agrawal, R.K, Banavali, N.K. | | Deposit date: | 2022-12-25 | | Release date: | 2023-11-08 | | Method: | ELECTRON MICROSCOPY (2.86 Å) | | Cite: | The structure of a hibernating ribosome in a Lyme disease pathogen.
Nat Commun, 14, 2023
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8F8M
 | | LRH-1 bound to small molecule Tet and fragment of coactivator Tif2 | | Descriptor: | (1~{R},3~{a}~{R},6~{a}~{R})-4-phenyl-3~{a}-(1-phenylethenyl)-5-[9-(1~{H}-1,2,3,4-tetrazol-5-yl)nonyl]-2,3,6,6~{a}-tetrahydro-1~{H}-pentalen-1-ol, Nuclear receptor coactivator 2, Nuclear receptor subfamily 5 group A member 2 | | Authors: | Cato, M.L, Ortlund, E.A. | | Deposit date: | 2022-11-22 | | Release date: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Isosteric improvements to liver receptor homolog-1 small molecule modulators
To Be Published
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5M0T
 | | Alpha-ketoglutarate-dependent non-heme iron oxygenase EasH | | Descriptor: | 2-OXOGLUTARIC ACID, Alpha-ketoglutarate-dependent non-heme iron oxygenase EasH, FE (II) ION, ... | | Authors: | Jakubczyk, D, Caputi, L, Stevenson, C.E.M, Lawson, D.M, O'Connor, S.E. | | Deposit date: | 2016-10-05 | | Release date: | 2016-12-07 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural characterization of EasH (Aspergillus japonicus) - an oxidase involved in cycloclavine biosynthesis.
Chem. Commun. (Camb.), 52, 2016
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5M30
 | | Structure of TssK from T6SS EAEC in complex with nanobody nb18 | | Descriptor: | Anti-vesicular stomatitis virus N VHH, Type VI secretion protein | | Authors: | Nguyen, V.S, Cambillau, C, Spinelli, C, Desmyter, A, Legrand, P, Cascales, E. | | Deposit date: | 2016-10-13 | | Release date: | 2017-06-21 | | Last modified: | 2017-09-06 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Type VI secretion TssK baseplate protein exhibits structural similarity with phage receptor-binding proteins and evolved to bind the membrane complex.
Nat Microbiol, 2, 2017
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6AJE
 | | Crystal structure of DHODH in complex with ferulenol from Eimeria tenella | | Descriptor: | 4-oxidanyl-3-[(2~{E},6~{E})-3,7,11-trimethyldodeca-2,6,10-trienyl]chromen-2-one, Dihydroorotate dehydrogenase (quinone), mitochondrial, ... | | Authors: | Shiba, T, Inaoka, D.K, Sato, D, Hartuti, E.D, Amalia, E, Nagahama, M, Yoshioka, Y, Matsubayashi, M, Balogun, E.O, Tsuji, N, Kita, K, Harada, S. | | Deposit date: | 2018-08-27 | | Release date: | 2019-08-28 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (3.65 Å) | | Cite: | Structural and Biochemical Features of Eimeria tenella Dihydroorotate Dehydrogenase, a Potential Drug Target.
Genes (Basel), 11, 2020
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7LW1
 | | Human phosphofructokinase-1 liver type bound to activator NA-11 | | Descriptor: | 1,6-di-O-phosphono-beta-D-fructofuranose, 6-O-phosphono-beta-D-fructofuranose, ADENOSINE-5'-DIPHOSPHATE, ... | | Authors: | Lynch, E.M, Kollman, J.M, Webb, B. | | Deposit date: | 2021-02-27 | | Release date: | 2022-01-26 | | Last modified: | 2024-05-29 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Selective activation of PFKL suppresses the phagocytic oxidative burst.
Cell, 184, 2021
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8FF2
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6UUD
 | | Crystal structure of antibody 5D5 in complex with PfCSP N-terminal peptide | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, 5D5 Antibody Fab, ... | | Authors: | Thai, E, Scally, S.W, Julien, J.P. | | Deposit date: | 2019-10-30 | | Release date: | 2020-07-15 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | A high-affinity antibody against the CSP N-terminal domain lacks Plasmodium falciparum inhibitory activity.
J.Exp.Med., 217, 2020
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8AUP
 | | Structure of hARG1 with a novel inhibitor. | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-[(1~{R},3~{R},4~{S})-3-azanyl-3-carboxy-4-[(dimethylamino)methyl]cyclohexyl]ethyl-$l^{3}-oxidanyl-bis(oxidanyl)boron, Arginase-1, ... | | Authors: | Napiorkowska-Gromadzka, A, Nowak, E, Nowotny, M. | | Deposit date: | 2022-08-25 | | Release date: | 2023-03-29 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.17 Å) | | Cite: | Arginase 1/2 Inhibitor OATD-02: From Discovery to First-in-man Setup in Cancer Immunotherapy.
Mol.Cancer Ther., 22, 2023
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8AFN
 | | Small molecule stabilizer (compound 1) for ERalpha and 14-3-3 | | Descriptor: | 1-[2-(4-chloranylphenoxy)-2-methyl-propanoyl]-~{N}-[2-[2-(dimethylamino)ethyldisulfanyl]ethyl]piperidine-4-carboxamide, 14-3-3 protein sigma, Estrogen receptor, ... | | Authors: | Kenanova, D.N, Visser, E.J, Virta, J, Sijbesma, E, Centorrino, F, Zhong, M, Vickery, H, Neitz, J, Brunsveld, L, Ottmann, C, Arkin, M.R. | | Deposit date: | 2022-07-18 | | Release date: | 2023-04-26 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.36 Å) | | Cite: | A Systematic Approach to the Discovery of Protein-Protein Interaction Stabilizers.
Acs Cent.Sci., 9, 2023
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4XCT
 | | Crystal structure of a hydroxamate based inhibitor ARP101 (EN73) in complex with the MMP-9 catalytic domain. | | Descriptor: | (2S,3S)-butane-2,3-diol, (2~{R})-3-methyl-~{N}-oxidanylidene-2-[(4-phenylphenyl)sulfonyl-propan-2-yloxy-amino]butanamide, 1,2-ETHANEDIOL, ... | | Authors: | Stura, E.A, Tepshi, L, Nuti, E, Dive, V, Cassar-Lajeunesse, E, Vera, L, Rossello, A. | | Deposit date: | 2014-12-18 | | Release date: | 2015-04-22 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | N-O-Isopropyl Sulfonamido-Based Hydroxamates as Matrix Metalloproteinase Inhibitors: Hit Selection and in Vivo Antiangiogenic Activity.
J.Med.Chem., 58, 2015
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