PDB: 224004 resultsInfo pagesStatus searchChemie searchBIRD

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7N2X	The crystal structure of an FMN-dependent NADH:quinone oxidoreductase, AzoR from Escherichia coli Descriptor: 1,2-ETHANEDIOL, 1-ETHOXY-2-(2-ETHOXYETHOXY)ETHANE, 2-AMINO-ACRYLIC ACID, ... Authors: Arcinas, A.J, Fedorov, E, Kelly, L, Almo, S.C, Ghosh, A. Deposit date: 2021-05-30 Release date: 2022-08-31 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (1.7 Å) Cite: Uncovering a novel mechanism of enzyme activation in multimeric azoreductases To Be Published
4D9O	Structure of ebolavirus protein VP24 from Reston Descriptor: Membrane-associated protein VP24 Authors: Zhang, A.P.P. Deposit date: 2012-01-11 Release date: 2012-04-18 Last modified: 2024-03-20 Method: X-RAY DIFFRACTION (2 Å) Cite: The ebola virus interferon antagonist VP24 directly binds STAT1 and has a novel, pyramidal fold Plos Pathog., 8, 2012
4LT9	Crystal Structure of Engineered Protein, Northeast Structural Genomics Consortium Target OR404 Descriptor: Engineered Protein OR404 Authors: Vorobiev, S, Su, M, Bjelic, S, Kipnis, Y, Wang, L, Sahdev, S, Xiao, R, Kogan, S, Maglaqui, M, Baker, D, Everett, J.K, Acton, T.B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) Deposit date: 2013-07-23 Release date: 2013-08-14 Last modified: 2023-12-06 Method: X-RAY DIFFRACTION (2.15 Å) Cite: Crystal Structure of Engineered Protein OR404. To be Published
4M2Y	Structure of human DNA polymerase beta complexed with 8-BrG as the template base in a 1-nucleotide gapped DNA Descriptor: DNA polymerase beta, SODIUM ION, down-primer, ... Authors: Koag, M.C, Min, K, Monzingo, A.F, Lee, S. Deposit date: 2013-08-05 Release date: 2014-01-22 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (2.27 Å) Cite: Structural basis for promutagenicity of 8-halogenated Guanine. J.Biol.Chem., 289, 2014
4DVV	Crystal structure of clade A/E 93TH057 HIV-1 gp120 core in complex with AS-I-261 Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, N-{[(4S,5S)-5-(aminomethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl}-N'-(4-chloro-3-fluorophenyl)ethanediamide, ... Authors: Kwon, Y.D, Kwong, P.D. Deposit date: 2012-02-23 Release date: 2013-02-27 Last modified: 2023-09-13 Method: X-RAY DIFFRACTION (1.94 Å) Cite: Crystal Structures of HIV-1 gp120 Envelope Glycoprotein in Complex with NBD Analogues That Target the CD4-Binding Site. Plos One, 9, 2014
4M1I	X-ray crystal structure of Chlamydia trachomatis Mn(II)Fe(II)-NrdB Descriptor: ACETIC ACID, FE (III) ION, HEXAETHYLENE GLYCOL, ... Authors: Boal, A.K, Rosenzweig, A.C. Deposit date: 2013-08-02 Release date: 2013-08-21 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (1.8 Å) Cite: Structural Basis for Assembly of the Mn(IV)/Fe(III) Cofactor in the Class Ic Ribonucleotide Reductase from Chlamydia trachomatis. Biochemistry, 52, 2013
4DU8	Crystal structure of Staphylococcus epidermidis D283A mevalonate diphosphate decarboxylase complexed with inhibitor DPGP Descriptor: 1-({[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}acetyl)-L-proline, GLYCEROL, Mevalonate diphosphate decarboxylase Authors: Barta, M.L, McWhorter, W.J, Geisbrecht, B.V. Deposit date: 2012-02-21 Release date: 2012-07-11 Last modified: 2023-09-13 Method: X-RAY DIFFRACTION (2.1 Å) Cite: Structural basis for nucleotide binding and reaction catalysis in mevalonate diphosphate decarboxylase. Biochemistry, 51, 2012
4MHB	Structure of a putative reductase from Yersinia pestis Descriptor: Putative aldo/keto reductase, SULFATE ION Authors: Anderson, S.M, Wawrzak, Z, Kudritska, M, Kwon, K, Rembert, P, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) Deposit date: 2013-08-29 Release date: 2013-10-16 Method: X-RAY DIFFRACTION (1.75 Å) Cite: Structure of a putative reductase from Yersinia pestis To be Published
7AV1	LTA4 hydrolase in complex with fragment2 Descriptor: 2-[5-(4-methoxyphenyl)-1,2,3,4-tetrazol-2-yl]ethanamine, ACETATE ION, IMIDAZOLE, ... Authors: Srinivas, H. Deposit date: 2020-11-03 Release date: 2021-02-17 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (1.79 Å) Cite: Discovery of LYS006, a Potent and Highly Selective Inhibitor of Leukotriene A 4 Hydrolase. J.Med.Chem., 64, 2021
4DI5	Co-crystal structure of WT 5-epi-Aristolochene synthase from Nicotiana tobaccum with geraniline Descriptor: 5-epi-aristolochene synthase, ACETATE ION, DIPHOSPHATE, ... Authors: Noel, J.P, Starks, C, Crenshaw, C.M. Deposit date: 2012-01-30 Release date: 2012-02-29 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (2.3 Å) Cite: Co-crystal structure of WT 5-epi-Aristolochene synthase from Nicotiana tobaccum with geraniline To be Published
7AM5	Crystal structure of Peptiligase mutant - L217H/M222P/A225N Descriptor: SODIUM ION, Subtilisin BPN' Authors: Rozeboom, H.J, Janssen, D.J. Deposit date: 2020-10-08 Release date: 2021-02-17 Last modified: 2021-03-24 Method: X-RAY DIFFRACTION (2.3 Å) Cite: From thiol-subtilisin to omniligase: Design and structure of a broadly applicable peptide ligase. Comput Struct Biotechnol J, 19, 2021
4DVR	Crystal structure of YU2 gp120 core in complex with Fab 48d and NBD-557 Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein gp120, Fab 48d Heavy chain, ... Authors: Kwon, Y.D, Kwong, P.D. Deposit date: 2012-02-23 Release date: 2013-02-27 Last modified: 2023-09-13 Method: X-RAY DIFFRACTION (2.5 Å) Cite: Crystal Structures of HIV-1 gp120 Envelope Glycoprotein in Complex with NBD Analogues That Target the CD4-Binding Site. Plos One, 9, 2014
4LXI	Crystal Structure of the S105A mutant of a carbon-carbon bond hydrolase, DxnB2 from Sphingomonas wittichii RW1, in complex with 5,8-diF HOPDA Descriptor: (3E,5R)-5-fluoro-6-(2-fluorophenyl)-2,6-dioxohex-3-enoic acid, MCP Hydrolase, SODIUM ION Authors: Bhowmik, S, Bolin, J.T. Deposit date: 2013-07-29 Release date: 2013-10-09 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (2.17 Å) Cite: A substrate-assisted mechanism of nucleophile activation in a ser-his-asp containing C-C bond hydrolase. Biochemistry, 52, 2013
7AW2	MerTK kinase domain with type 1.5 inhibitor from a DNA-encoded library Descriptor: 5-(2'-chloro-[1,1'-biphenyl]-4-yl)-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-N-methyl-1,3,4-oxadiazol-2-amine, Tyrosine-protein kinase Mer Authors: Schimpl, M, Nissink, J.W.M, Blackett, C, Goldberg, K, Hennessy, E.J, Hardaker, E, McCoull, W, McMurray, L, Collingwood, O, Overman, R, Pflug, A, Preston, M, Rawlins, P, Rivers, E, Smith, P, Underwood, E, Truman, C, Warwicker, J, Winter, J, Woodcock, S. Deposit date: 2020-11-06 Release date: 2021-03-03 Last modified: 2024-05-01 Method: X-RAY DIFFRACTION (2.1 Å) Cite: Generating Selective Leads for Mer Kinase Inhibitors-Example of a Comprehensive Lead-Generation Strategy. J.Med.Chem., 64, 2021
7AVZ	MerTK kinase domain in complex with a bisaminopyrimidine inhibitor Descriptor: (R)-N2-(4-(cyclopropylmethoxy)-3,5-difluorophenyl)-5-(3-methylpiperazin-1-yl)-N4-(tetrahydro-2H-pyran-4-yl)pyrimidine-2,4-diamine, Tyrosine-protein kinase Mer Authors: Pflug, A, Nissink, J.W.M, Blackett, C, Goldberg, K, Hennessy, E.J, Hardaker, E, McCoull, W, McMurray, L, Collingwood, O, Overman, R, Preston, M, Rawlins, P, Rivers, E, Schimpl, M, Smith, P, Underwood, E, Truman, C, Warwicker, J, Winter, J, Woodcock, S. Deposit date: 2020-11-06 Release date: 2021-03-03 Last modified: 2024-05-01 Method: X-RAY DIFFRACTION (2.04 Å) Cite: Generating Selective Leads for Mer Kinase Inhibitors-Example of a Comprehensive Lead-Generation Strategy. J.Med.Chem., 64, 2021
7AW1	MerTK kinase domain in complex with a type 2 inhibitor Descriptor: N-(6-(4-(3-(4-((5,6-dihydroimidazo[1,2-a]pyrazin-7(8H)-yl)methyl)-3-(trifluoromethyl)phenyl)ureido)phenoxy)pyrimidin-4-yl)cyclopropanecarboxamide, Tyrosine-protein kinase Mer Authors: Schimpl, M, Nissink, J.W.M, Blackett, C, Goldberg, K, Hennessy, E.J, Hardaker, E, McCoull, W, McMurray, L, Collingwood, O, Overman, R, Pflug, A, Preston, M, Rawlins, P, Rivers, E, Smith, P, Underwood, E, Truman, C, Warwicker, J, Winter, J, Woodcock, S. Deposit date: 2020-11-06 Release date: 2021-03-03 Last modified: 2024-05-01 Method: X-RAY DIFFRACTION (1.98 Å) Cite: Generating Selective Leads for Mer Kinase Inhibitors-Example of a Comprehensive Lead-Generation Strategy. J.Med.Chem., 64, 2021
4MI7	Crystal Structure of Salmonella Effector Protein GtgE Descriptor: Bacteriophage encoded virulence factor, SULFATE ION Authors: Kohler, A.C, Stebbins, C.E. Deposit date: 2013-08-30 Release date: 2014-02-12 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (1.65 Å) Cite: Structural and enzymatic characterization of a host-specificity determinant from Salmonella. Acta Crystallogr.,Sect.D, 70, 2014
4DFL	Crystal structure of spleen tyrosine kinase complexed with a sulfonamidopyrazine piperidine inhibitor Descriptor: 1,2-ETHANEDIOL, 3-amino-6-{3-[(methylsulfonyl)amino]phenyl}-N-(piperidin-4-ylmethyl)pyrazine-2-carboxamide, SULFATE ION, ... Authors: Lopez, M, Segarra, V, Vidal, B, Wenzkowski, C, Jestel, A, Krapp, S, Blaesse, M, Nagel, S, Schreiner, P. Deposit date: 2012-01-24 Release date: 2012-04-25 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (1.98 Å) Cite: Pyrazine-based Syk kinase inhibitors. Bioorg.Med.Chem.Lett., 22, 2012
4DKQ	Crystal structure of clade A/E 93TH057 HIV-1 gp120 core in complex with DMJ-I-228 Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, N-[(1S,2S)-2-carbamimidamido-2,3-dihydro-1H-inden-1-yl]-N'-(4-chloro-3-fluorophenyl)ethanediamide, ... Authors: Kwon, Y.D, LaLonde, J.M, Jones, D.M, Sun, A.W, Courter, J.R, Soeta, T, Kobayashi, T, Princiotto, A.M, Wu, X, Mascola, J, Schon, A, Freire, E, Sodroski, J, Madani, N, Smith III, A.B, Kwong, P.D. Deposit date: 2012-02-03 Release date: 2012-05-02 Last modified: 2023-12-27 Method: X-RAY DIFFRACTION (1.888 Å) Cite: Structure-Based Design, Synthesis, and Characterization of Dual Hotspot Small-Molecule HIV-1 Entry Inhibitors. J.Med.Chem., 55, 2012
7TDP	Structure of Paenibacillus polymyxa GS bound to Met-Sox-P-ADP (Transition state complex) to 1.98 Angstom Descriptor: ADENOSINE-5'-DIPHOSPHATE, Glutamine synthetase, L-METHIONINE-S-SULFOXIMINE PHOSPHATE, ... Authors: Schumacher, M.A. Deposit date: 2022-01-02 Release date: 2022-06-29 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (1.98 Å) Cite: Molecular dissection of the glutamine synthetase-GlnR nitrogen regulatory circuitry in Gram-positive bacteria. Nat Commun, 13, 2022
4L2N	Understanding Extradiol Dioxygenase Mechanism in NAD+ Biosynthesis by Viewing Catalytic Intermediates - ligand-free structure Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-hydroxyanthranilate 3,4-dioxygenase, CHLORIDE ION, ... Authors: Liu, F, Liu, A. Deposit date: 2013-06-04 Release date: 2015-05-06 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (1.74 Å) Cite: An Iron Reservoir to the Catalytic Metal: THE RUBREDOXIN IRON IN AN EXTRADIOL DIOXYGENASE. J.Biol.Chem., 290, 2015
4DNM	Crystal structure of an amidohydrolase (cog3618) from burkholderia multivorans (target efi-500235) with bound hepes, space group p3221 Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Amidohydrolase 2, GLYCEROL, ... Authors: Vetting, M.W, Toro, R, Bhosle, R, Seidel, R.D, Hillerich, B, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Al Obaidi, N.F, Zencheck, W.D, Imker, H.J, Gerlt, J.A, Raushel, F.M, Almo, S.C, Enzyme Function Initiative (EFI) Deposit date: 2012-02-08 Release date: 2012-02-29 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (2.15 Å) Cite: Crystal structure of an amidohydrolase (cog3618) from burkholderia multivorans (target efi-500235) with bound hepes, space group p3221 to be published
7TDV	Crystal structure of S. aureus glutamine synthetase in Met-Sox-P/ADP transition state complex Descriptor: ADENOSINE-5'-DIPHOSPHATE, Glutamine synthetase, L-METHIONINE-S-SULFOXIMINE PHOSPHATE, ... Authors: Schumacher, M.A. Deposit date: 2022-01-03 Release date: 2022-06-29 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (2.92 Å) Cite: Molecular dissection of the glutamine synthetase-GlnR nitrogen regulatory circuitry in Gram-positive bacteria. Nat Commun, 13, 2022
7TEN	Crystal structure of the Listeria monocytogenes GS-Met-Sox-P- ADP complex to 3.5 Angstrom Descriptor: ADENOSINE-5'-DIPHOSPHATE, Glutamine synthetase, L-METHIONINE-S-SULFOXIMINE PHOSPHATE Authors: Schumacher, M.A. Deposit date: 2022-01-05 Release date: 2022-06-29 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (3.5 Å) Cite: Molecular dissection of the glutamine synthetase-GlnR nitrogen regulatory circuitry in Gram-positive bacteria. Nat Commun, 13, 2022
4DJW	Structure of BACE Bound to 2-imino-3-methyl-5-phenyl-5-(3-(pyridin-3-yl)phenyl)imidazolidin-4-one Descriptor: (2E,5R)-2-imino-3-methyl-5-phenyl-5-[3-(pyridin-3-yl)phenyl]imidazolidin-4-one, Beta-secretase 1, L(+)-TARTARIC ACID Authors: Strickland, C, Cumming, J. Deposit date: 2012-02-02 Release date: 2012-03-21 Last modified: 2012-04-04 Method: X-RAY DIFFRACTION (1.9 Å) Cite: Structure based design of iminohydantoin BACE1 inhibitors: Identification of an orally available, centrally active BACE1 inhibitor. Bioorg.Med.Chem.Lett., 22, 2012

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