PDB: 47065 resultsInfo pagesStatus searchChemie searchBIRD

---

5AHK	Crystal structure of acetohydroxy acid synthase Pf5 from Pseudomonas protegens Descriptor: ACETOLACTATE SYNTHASE II, LARGE SUBUNIT, FLAVIN-ADENINE DINUCLEOTIDE, ... Authors: Dobritzsch, D, Loschonsky, S, Mueller, M, Schneider, G. Deposit date: 2015-02-06 Release date: 2016-03-02 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (1.55 Å) Cite: The Crystal Structure of the Acetohydroxy Acid Synthase Pf5 from Pseudomonas Protegens To be Published
2Z4I	Crystal structure of the Cpx pathway activator NlpE from Escherichia coli Descriptor: Copper homeostasis protein cutF, HEXAETHYLENE GLYCOL, SULFATE ION Authors: Hirano, Y, Hossain, M.M, Takeda, K, Tokuda, H, Miki, K. Deposit date: 2007-06-18 Release date: 2007-09-04 Last modified: 2021-11-10 Method: X-RAY DIFFRACTION (2.6 Å) Cite: Structural Studies of the Cpx Pathway Activator NlpE on the Outer Membrane of Escherichia coli Structure, 15, 2007
1ML0	VIRAL CHEMOKINE BINDING PROTEIN M3 FROM MURINE GAMMAHERPESVIRUS68 IN COMPLEX WITH THE P8A VARIANT OF CC-CHEMOKINE MCP-1 Descriptor: M3 Protein, Small Inducible Cytokine Authors: Alexander, J.M, Fremont, D.H. Deposit date: 2002-08-29 Release date: 2002-11-13 Last modified: 2021-10-27 Method: X-RAY DIFFRACTION (2.8 Å) Cite: Structural Basis of Chemokine Sequestration by a Herpesvirus Decoy Receptor Cell(Cambridge,Mass.), 111, 2002
5DS6	Crystal structure the Escherichia coli Cas1-Cas2 complex bound to protospacer DNA with splayed ends Descriptor: CRISPR-associated endonuclease Cas1, CRISPR-associated endoribonuclease Cas2, DNA (28-MER), ... Authors: Nunez, J.K, Harrington, L.B, Kranzusch, P.J, Engelman, A.N, Doudna, J.A. Deposit date: 2015-09-16 Release date: 2015-10-28 Last modified: 2023-09-27 Method: X-RAY DIFFRACTION (3.352 Å) Cite: Foreign DNA capture during CRISPR-Cas adaptive immunity. Nature, 527, 2015
5ALJ	ligand complex structure of soluble epoxide hydrolase Descriptor: 2-(3-fluoro-4-methyl-anilino)-4-methyl-quinolin-5-ol, BIFUNCTIONAL EPOXIDE HYDROLASE 2, GLYCEROL, ... Authors: Oster, L, Tapani, S, Xue, Y, Kack, H. Deposit date: 2015-03-08 Release date: 2015-05-13 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (2.1 Å) Cite: Successful Generation of Structural Information for Fragment-Based Drug Discovery. Drug Discov Today, 20, 2015
5ALD	ligand complex structure of soluble epoxide hydrolase Descriptor: 5-cyclohexyl-1,3-dihydroindol-2-one, BIFUNCTIONAL EPOXIDE HYDROLASE 2, DIMETHYL SULFOXIDE, ... Authors: Oster, L, Tapani, S, Xue, Y, Kack, H. Deposit date: 2015-03-08 Release date: 2015-05-13 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (2.26 Å) Cite: Successful Generation of Structural Information for Fragment-Based Drug Discovery. Drug Discov Today, 20, 2015
5A5K	AtGSTF2 from Arabidopsis thaliana in complex with camalexin Descriptor: (2Z)-2-indol-3-ylidene-3H-1,3-thiazole, GLUTATHIONE S-TRANSFERASE F2 Authors: Ahmad, L, Rylott, E, Bruce, N.C, Edwards, R, Grogan, G. Deposit date: 2015-06-18 Release date: 2016-06-29 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (2.77 Å) Cite: Structural evidence for Arabidopsis glutathione transferase AtGSTF2 functioning as a transporter of small organic ligands. FEBS Open Bio, 7, 2017
5A4Q	DYRK1A IN COMPLEX WITH CHLORO BENZOTHIAZOLE FRAGMENT Descriptor: DUAL SPECIFICITY TYROSINE-PHOSPHORYLATION-REGULATED KINASE 1A, N-(5-CHLORANYL-1,3-BENZOTHIAZOL-2-YL)ETHANAMIDE Authors: Rothweiler, U. Deposit date: 2015-06-11 Release date: 2016-06-29 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (2.37 Å) Cite: Probing the ATP-Binding Pocket of Protein Kinase Dyrk1A with Benzothiazole Fragment Molecules J.Med.Chem., 59, 2016
4GGV	Crystal Structure of HmtT Involved in Himastatin Biosynthesis Descriptor: Cytochrome P450 superfamily protein, PROTOPORPHYRIN IX CONTAINING FE Authors: Zhang, H, Chen, J, Wang, H, Zhang, H. Deposit date: 2012-08-07 Release date: 2013-07-17 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (2.331 Å) Cite: Structural analysis of HmtT and HmtN involved in the tailoring steps of himastatin biosynthesis Febs Lett., 587, 2013
7PP7	Thunberia alata 16:0-ACP desaturase Descriptor: Acyl-[acyl-carrier-protein] 6-desaturase, FE (III) ION Authors: Guy, J.E, Whittle, E, Cai, Y, Chai, J, Lindqvist, Y, Shanklin, J. Deposit date: 2021-09-13 Release date: 2021-12-22 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (2.05 Å) Cite: Regioselectivity mechanism of the Thunbergia alata Delta 6-16:0-acyl carrier protein desaturase. Plant Physiol., 188, 2022
3DB7	Crystal structure of a putative calcium-regulated periplasmic protein (bt0923) from bacteroides thetaiotaomicron at 1.40 A resolution Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, putative calcium-regulated periplasmic protein Authors: Joint Center for Structural Genomics (JCSG) Deposit date: 2008-05-30 Release date: 2008-10-28 Last modified: 2023-02-01 Method: X-RAY DIFFRACTION (1.4 Å) Cite: Crystal structure of putative calcium-regulated periplasmic protein of unknown function (NP_809836.1) from BACTEROIDES THETAIOTAOMICRON VPI-5482 at 1.40 A resolution To be Published
7PNE	Parallel Q-D hybrid with 3' duplex stem-loop as a lateral snapback loop Descriptor: TTAMycdup-3sbl Authors: Vianney, Y.M, Weisz, K. Deposit date: 2021-09-06 Release date: 2021-12-29 Last modified: 2024-06-19 Method: SOLUTION NMR Cite: Indoloquinoline Ligands Favor Intercalation at Quadruplex-Duplex Interfaces. Chemistry, 28, 2022
7GJ1	Group deposition SARS-CoV-2 main protease in complex with inhibitors from the COVID Moonshot -- Crystal Structure of SARS-CoV-2 main protease in complex with VLA-UNK-82501c2c-1 (Mpro-P0153) Descriptor: 2-(3,4-dichlorophenyl)-N-(2,7-naphthyridin-4-yl)acetamide, 3C-like proteinase, CHLORIDE ION, ... Authors: Fearon, D, Aimon, A, Aschenbrenner, J.C, Balcomb, B.H, Bertram, F.K.R, Brandao-Neto, J, Dias, A, Douangamath, A, Dunnett, L, Godoy, A.S, Gorrie-Stone, T.J, Koekemoer, L, Krojer, T, Lithgo, R.M, Lukacik, P, Marples, P.G, Mikolajek, H, Nelson, E, Owen, C.D, Powell, A.J, Rangel, V.L, Skyner, R, Strain-Damerell, C.M, Thompson, W, Tomlinson, C.W.E, Wild, C, Walsh, M.A, von Delft, F. Deposit date: 2023-08-11 Release date: 2023-11-08 Last modified: 2023-12-06 Method: X-RAY DIFFRACTION (1.95 Å) Cite: Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors. Science, 382, 2023
5DVH	Structure of the Kunitz-type cysteine protease inhibitor PCPI-3 from potato Descriptor: CHLORIDE ION, PCPI-3 Authors: Brynda, J, Mishra, M, Mares, M. Deposit date: 2015-09-21 Release date: 2016-10-12 Last modified: 2017-09-06 Method: X-RAY DIFFRACTION (1.8 Å) Cite: Structure of the Kunitz-type cysteine protease inhibitor PCPI-3 from potato To Be Published
8U2P	Crystal Structure of Glycine--tRNA ligase from Mycobacterium tuberculosis (G5A bound) Descriptor: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 5'-O-(glycylsulfamoyl)adenosine, ... Authors: Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID) Deposit date: 2023-09-06 Release date: 2023-09-13 Last modified: 2024-04-10 Method: X-RAY DIFFRACTION (2.25 Å) Cite: Crystal Structure of Glycine--tRNA ligase from Mycobacterium tuberculosis (G5A bound) To be published
1MQJ	Crystal structure of the GluR2 ligand binding core (S1S2J) in complex with willardiine at 1.65 angstroms resolution Descriptor: 2-AMINO-3-(2,4-DIOXO-3,4-DIHYDRO-2H-PYRIMIDIN-1-YL)-PROPIONIC ACID, ZINC ION, glutamate receptor 2 Authors: Jin, R, Banke, T.G, Mayer, M.L, Traynelis, S.F, Gouaux, E. Deposit date: 2002-09-16 Release date: 2003-08-05 Last modified: 2017-08-02 Method: X-RAY DIFFRACTION (1.65 Å) Cite: Structural basis for partial agonist action at ionotropic glutamate receptors Nat.Neurosci., 6, 2003
5ALI	ligand complex structure of soluble epoxide hydrolase Descriptor: 1-[3-[5-(7-aminothiazolo[5,4-d]pyrimidin-2-yl)-1-[[(2S)-tetrahydrofuran-2-yl]methyl]imidazol-4-yl]phenyl]-3-(4-methoxyphenyl)urea, BIFUNCTIONAL EPOXIDE HYDROLASE 2, DI(HYDROXYETHYL)ETHER, ... Authors: Oster, L, Tapani, S, Xue, Y, Kack, H. Deposit date: 2015-03-08 Release date: 2015-05-13 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (1.85 Å) Cite: Successful Generation of Structural Information for Fragment-Based Drug Discovery. Drug Discov Today, 20, 2015
4KJZ	Crystal Structure of Thermus Thermophilus IF2, Apo and GDP-bound Forms (2-474) Descriptor: GUANOSINE-5'-DIPHOSPHATE, Translation initiation factor IF-2 Authors: Eiler, D.R, Lin, J, Steitz, T.A. Deposit date: 2013-05-04 Release date: 2013-09-11 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (2.8 Å) Cite: Initiation factor 2 crystal structure reveals a different domain organization from eukaryotic initiation factor 5B and mechanism among translational GTPases. Proc.Natl.Acad.Sci.USA, 110, 2013
5DTQ	Crystal structure of Dot1L in complex with inhibitor CPD3 [(2,6-dichlorophenyl)(quinolin-6-yl)methanone] Descriptor: (2,6-dichlorophenyl)(quinolin-6-yl)methanone, Histone-lysine N-methyltransferase, H3 lysine-79 specific Authors: Scheufler, C, Be, C, Moebitz, H, Stauffer, F. Deposit date: 2015-09-18 Release date: 2016-06-15 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (2.61 Å) Cite: Optimization of a Fragment-Based Screening Hit toward Potent DOT1L Inhibitors Interacting in an Induced Binding Pocket. Acs Med.Chem.Lett., 7, 2016
5AFQ	Crystal structure of RPC62 - RPC32 beta Descriptor: DNA-DIRECTED RNA POLYMERASE III SUBUNIT RPC3, RPC32 BETA (RPC7L) Authors: Fribourg, S. Deposit date: 2015-01-23 Release date: 2015-10-07 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (7 Å) Cite: Structural Analysis of Human Rpc32Beta - Rpc62 Complex. J.Struct.Biol., 192, 2015
7PNG	Solution structure of 1:1 complex of an indoloquinoline derivative SYUIQ-5 to parallel quadruplex-duplex (Q-D) hybrid Descriptor: DNA (37-MER), ~{N}-(5~{H}-indolo[3,2-b]quinolin-11-yl)-~{N}',~{N}'-dimethyl-propane-1,3-diamine Authors: Vianney, Y.M, Weisz, K. Deposit date: 2021-09-06 Release date: 2021-12-29 Last modified: 2024-06-19 Method: SOLUTION NMR Cite: Indoloquinoline Ligands Favor Intercalation at Quadruplex-Duplex Interfaces. Chemistry, 28, 2022
4FVO	Carbonic Anhydrase II in complex with N-[(2E)-3,4-dihydroquinazolin-2(1H)-ylidene]sulfuric diamide Descriptor: Carbonic anhydrase 2, DIMETHYL SULFOXIDE, GLYCEROL, ... Authors: Di Pizio, A, Heine, A, Klebe, G. Deposit date: 2012-06-29 Release date: 2013-07-03 Last modified: 2023-09-13 Method: X-RAY DIFFRACTION (1.05 Å) Cite: High resolution crystal structures of Carbonic Anhydrase II in complex with novel sulfamide binders To be Published
7GJX	Group deposition SARS-CoV-2 main protease in complex with inhibitors from the COVID Moonshot -- Crystal Structure of SARS-CoV-2 main protease in complex with MAT-POS-3ccb8ef6-1 (Mpro-P0744) Descriptor: (4S)-6-chloro-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide, 3C-like proteinase, CHLORIDE ION, ... Authors: Fearon, D, Aimon, A, Aschenbrenner, J.C, Balcomb, B.H, Bertram, F.K.R, Brandao-Neto, J, Dias, A, Douangamath, A, Dunnett, L, Godoy, A.S, Gorrie-Stone, T.J, Koekemoer, L, Krojer, T, Lithgo, R.M, Lukacik, P, Marples, P.G, Mikolajek, H, Nelson, E, Owen, C.D, Powell, A.J, Rangel, V.L, Skyner, R, Strain-Damerell, C.M, Thompson, W, Tomlinson, C.W.E, Wild, C, Walsh, M.A, von Delft, F. Deposit date: 2023-08-11 Release date: 2023-11-08 Last modified: 2023-12-06 Method: X-RAY DIFFRACTION (2.06 Å) Cite: Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors. Science, 382, 2023
5A12	Crystal structure of Chlorite Dismutase from Magnetospirillum sp. in complex with azide Descriptor: AZIDE ION, CHLORITE DISMUTASE, GLYCEROL, ... Authors: Correia, H.D, Santos-Silva, T. Deposit date: 2015-04-27 Release date: 2015-09-02 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (1.4 Å) Cite: Ligand Binding to Chlorite Dismutase from Magnetospirillum Sp. J.Phys.Chem.B, 119, 2015
4KLX	Crystal structure of dihydrofolate reductase from Mycobacterium tuberculosis in an open conformation. Descriptor: 2'-MONOPHOSPHOADENOSINE-5'-DIPHOSPHATE, 2-{2-[2-2-(METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, Dihydrofolate reductase Authors: Dias, M.V.B, Tyrakis, P, Blundell, T.L. Deposit date: 2013-05-07 Release date: 2013-12-25 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (1.23 Å) Cite: Mycobacterium tuberculosis Dihydrofolate Reductase Reveals Two Conformational States and a Possible Low Affinity Mechanism to Antifolate Drugs. Structure, 22, 2014

<1005100610071008100910101011101210131014101510161017101810191020>