PDB: 31489 resultsInfo pagesStatus searchChemie searchBIRD

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6DKZ	Racemic structure of ribifolin, an orbitide from Jatropha ribifolia Descriptor: ribifolin Authors: Wang, C.K, King, G.J, Ramalho, S.D. Deposit date: 2018-05-31 Release date: 2018-11-14 Last modified: 2020-01-01 Method: X-RAY DIFFRACTION (0.99 Å) Cite: Synthesis, Racemic X-ray Crystallographic, and Permeability Studies of Bioactive Orbitides from Jatropha Species. J. Nat. Prod., 81, 2018
8TNF	Crystal structure of sulfohexulose-1-phosphate aldolase from Paracoccus onubensis strain Merri Descriptor: DUF2090 domain-containing protein Authors: Lee, M. Deposit date: 2023-08-01 Release date: 2024-08-07 Method: X-RAY DIFFRACTION (2.5 Å) Cite: A patchwork pathway for catabolism degradation of the sulfosugar sulfofucose To Be Published
6KDN	HIV-1 reverse transcriptase with Q151M/Y115F/F116Y:DNA:dGTP ternary complex Descriptor: 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, DNA/RNA (38-MER), GLYCEROL, ... Authors: Yasutake, Y, Hattori, S.I, Tamura, N, Maeda, K. Deposit date: 2019-07-02 Release date: 2020-03-04 Last modified: 2023-11-22 Method: X-RAY DIFFRACTION (2.303 Å) Cite: Structural features in common of HBV and HIV-1 resistance against chirally-distinct nucleoside analogues entecavir and lamivudine. Sci Rep, 10, 2020
8TK4	HUMAN VH1-RELATED DUAL-SPECIFICITY PHOSPHATASE (VHR) complexed with phosphate Descriptor: Dual specificity protein phosphatase 3, PHOSPHATE ION Authors: Aleshin, A.E, Wu, J, Lambert, L.J, Cosford, N.D.P, Tautz, L. Deposit date: 2023-07-25 Release date: 2024-08-14 Method: X-RAY DIFFRACTION (1.8 Å) Cite: HUMAN VH1-RELATED DUAL-SPECIFICITY PHOSPHATASE (VHR) complexed with phosphate To Be Published
8BB7	Crystal structure of Mouse Plexin-B1 (20-535) in complex with VHH15 Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Plexin-B1, VHH15 Nanobody Authors: Cowan, R, Hall, G, Carr, M. Deposit date: 2022-10-12 Release date: 2023-05-03 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (2.95 Å) Cite: Nanobody inhibitors of Plexin-B1 identify allostery in plexin-semaphorin interactions and signaling. J.Biol.Chem., 299, 2023
6DTG	Crystal structure of Haemophilus influenzae OppA complex with YLGANGRGGGS Descriptor: Periplasmic oligopeptide-binding protein, TYR-LEU-GLY-ALA-ASN-GLY Authors: Tanaka, K.J, Pinkett, H.W. Deposit date: 2018-06-16 Release date: 2018-11-28 Last modified: 2024-03-13 Method: X-RAY DIFFRACTION (1.9 Å) Cite: Oligopeptide-binding protein from nontypeableHaemophilus influenzaehas ligand-specific sites to accommodate peptides and heme in the binding pocket. J. Biol. Chem., 294, 2019
6DMN	Crystal Structure of Bacillus Halodurans Ribonuclease H1 in Complex with an RNA/DNA Hybrid: Soaked in 2 mM Ca2+ and 200 mM K+ at 21 C Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, DNA (5'-D(*CP*GP*AP*TP*GP*T)-3'), ... Authors: Samara, N.L, Yang, W. Deposit date: 2018-06-05 Release date: 2018-08-15 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (1.27 Å) Cite: Cation trafficking propels RNA hydrolysis. Nat. Struct. Mol. Biol., 25, 2018
7O2I	METTL3-METTL14 heterodimer bound to the SAM competitive small molecule inhibitor STM2457 Descriptor: DIMETHYL SULFOXIDE, N6-adenosine-methyltransferase catalytic subunit, N6-adenosine-methyltransferase non-catalytic subunit, ... Authors: Pilka, E.S, Blackaby, W, Hardick, D, Harper, C, Hewstone, D, Ridgill, M, Rotty, B, Rausch, O. Deposit date: 2021-03-30 Release date: 2021-04-14 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (3 Å) Cite: Small-molecule inhibition of METTL3 as a strategy against myeloid leukaemia. Nature, 593, 2021
8TYG	Plasmodium vivax PMV-WM08 inhibitor complex Descriptor: (2E,4aR,7aS)-6-[3-(4-chlorophenyl)pyridin-2-yl]-7a-(2,5-difluorophenyl)-2-imino-3-methyloctahydro-4H-pyrrolo[3,4-d]pyrimidin-4-one, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... Authors: Hodder, A.N, Scally, S.W, Cowman, A.F. Deposit date: 2023-08-25 Release date: 2024-08-28 Method: X-RAY DIFFRACTION (1.64 Å) Cite: Plasmodium vivax PMV-WM08 inhibitor complex To Be Published
6KGM	LSD1-CoREST-S2116 five-membered ring adduct model Descriptor: 3-[3,5-bis(fluoranyl)-2-phenylmethoxy-phenyl]propanal, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ... Authors: Niwa, H, Sato, S, Umehara, T. Deposit date: 2019-07-12 Release date: 2020-03-25 Last modified: 2024-03-27 Method: X-RAY DIFFRACTION (2.62 Å) Cite: Development and Structural Evaluation of N-Alkylated trans-2-Phenylcyclopropylamine-Based LSD1 Inhibitors. Chemmedchem, 15, 2020
8BRT	Crystal structure of a variant of penicillin G acylase from Bacillaceae i. s. sp. FJAT-27231 with reduced surface entropy and additionally engineered crystal contact Descriptor: (R,R)-2,3-BUTANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM ION, ... Authors: Wichmann, J, Mayer, J, Mattes, H, Lukat, P, Blankenfeldt, W, Biedendieck, R. Deposit date: 2022-11-23 Release date: 2023-05-03 Last modified: 2024-06-19 Method: X-RAY DIFFRACTION (1.31 Å) Cite: Multistep Engineering of a Penicillin G Acylase for Systematic Improvement of Crystallization Efficiency Cryst.Growth Des., 2023
8TTD	Structure of VPS29 complexed with Fam21A repeat 21 (1328-1341) Descriptor: FORMIC ACID, SER-ASN-ILE-PHE-ASP-ASP-PRO-LEU-ASN-ALA-PHE-GLY-GLY-GLN, Vacuolar protein sorting-associated protein 29 Authors: Chen, K.-E, Guo, Q, Collins, B.M. Deposit date: 2023-08-13 Release date: 2024-08-21 Method: X-RAY DIFFRACTION (2.011 Å) Cite: Structural basis for coupling of the WASH subunit FAM21 with the endosomal SNX27-Retromer complex. Proc.Natl.Acad.Sci.USA, 121, 2024
8TA0	Crystal Structure of Dihydrofolate reductase (DHFR) from Mycobacterium ulcerans Agy99 in complex with NADP and inhibitor MAM881 Descriptor: 3-[2-(3-{[(6M)-2,4-diamino-6-(3-methoxyphenyl)pyrimidin-5-yl]oxy}propoxy)phenyl]propanoic acid, Dihydrofolate reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE Authors: Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID) Deposit date: 2023-06-26 Release date: 2024-08-28 Last modified: 2024-11-06 Method: X-RAY DIFFRACTION (1.95 Å) Cite: Rational Exploration of 2,4-Diaminopyrimidines as DHFR Inhibitors Active against Mycobacterium abscessus and Mycobacterium avium , Two Emerging Human Pathogens. J.Med.Chem., 2024
6DNJ	Directed evolutionary changes in Kemp Eliminase KE07 - Crystal 28 round 5 Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 5-nitro-1,2-benzoxazole, Kemp eliminase KE07 Authors: Jackson, C.J, Hong, N.-S, Carr, P.D. Deposit date: 2018-06-06 Release date: 2018-08-01 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (1.65 Å) Cite: The evolution of multiple active site configurations in a designed enzyme. Nat Commun, 9, 2018
6HFJ	Human dihydroorotase mutant F1563A co-crystallized with carbamoyl aspartate at pH 7.5 Descriptor: (4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-4-CARBOXYLIC ACID, CAD protein, FORMIC ACID, ... Authors: Ramon-Maiques, S, Grande Garcia, A. Deposit date: 2018-08-21 Release date: 2018-10-24 Last modified: 2024-01-17 Method: X-RAY DIFFRACTION (1.2 Å) Cite: Characterization of the catalytic flexible loop in the dihydroorotase domain of the human multi-enzymatic protein CAD. J. Biol. Chem., 293, 2018
8BP9	Structure of E. coli Class 2 L-asparaginase EcAIII, mutant M200W (crystal M200W#2) Descriptor: CHLORIDE ION, Isoaspartyl peptidase subunit alpha, Isoaspartyl peptidase subunit beta, ... Authors: Sciuk, A, Jaskolski, M, Loch, J.I. Deposit date: 2022-11-16 Release date: 2023-05-03 Last modified: 2024-02-07 Method: X-RAY DIFFRACTION (1.7 Å) Cite: The effects of nature-inspired amino acid substitutions on structural and biochemical properties of the E. coli L-asparaginase EcAIII. Protein Sci., 32, 2023
7NRF	Crystal structure of E.coli BamA beta-barrel in complex with darobactin (crystal form 2) Descriptor: (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, Darobactin, MAGNESIUM ION, ... Authors: Jakob, R.P, Kaur, H, Marzinek, J.K, Green, R, Imai, Y, Bolla, J, Robinson, C, Bond, P.J, Lewis, K, Maier, T, Hiller, S. Deposit date: 2021-03-03 Release date: 2021-04-21 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (2.2 Å) Cite: The antibiotic darobactin mimics a beta-strand to inhibit outer membrane insertase. Nature, 593, 2021
8BSE	CRYSTAL STRUCTURE OF SARS-COV-2 RECEPTOR BINDING DOMAIN (RBD) in complex with 1D1 Fab Descriptor: 1D1 FAB HEAVY CHAIN, 1D1 FAB LIGHT CHAIN, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ... Authors: Welin, M, Kimbung, Y.R, Focht, D, Pisitkun, T. Deposit date: 2022-11-25 Release date: 2023-05-17 Last modified: 2024-10-09 Method: X-RAY DIFFRACTION (1.9 Å) Cite: Efficacy of the combination of monoclonal antibodies against the SARS-CoV-2 Beta and Delta variants. Plos One, 18, 2023
6DOW	Crystal Structure of Bacillus Halodurans Ribonuclease H1 in Complex with an RNA/DNA Hybrid: Reaction in 5 mM Mg2+ and 200 mM Rb+ for 160 s at 21 C Descriptor: 1,2-ETHANEDIOL, 5'-R(*AP*CP*AP*U)-3' portion of cleaved RNA 5'-R(*AP*CP*AP*UP*CP*G)-3', 5'-R(P*CP*G)-3' portion of cleaved RNA 5'-R(*AP*CP*AP*UP*CP*G)-3', ... Authors: Samara, N.L, Yang, W. Deposit date: 2018-06-09 Release date: 2018-08-15 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (1.495 Å) Cite: Cation trafficking propels RNA hydrolysis. Nat. Struct. Mol. Biol., 25, 2018
6HFS	Human dihydroorotase mutant F1563Y co-crystallized with carbamoyl aspartate at pH 6.5 Descriptor: CAD protein, FORMIC ACID, N-CARBAMOYL-L-ASPARTATE, ... Authors: Ramon-Maiques, S, Grande Garcia, A. Deposit date: 2018-08-21 Release date: 2018-10-24 Last modified: 2024-01-17 Method: X-RAY DIFFRACTION (1.34904516 Å) Cite: Characterization of the catalytic flexible loop in the dihydroorotase domain of the human multi-enzymatic protein CAD. J. Biol. Chem., 293, 2018
8U06	Imine reductase RedE bound with NADP+ and arcyriaflavin A (primary site) Descriptor: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Arcyriaflavin A, ... Authors: Daniel-Ivad, P, Ryan, K.S. Deposit date: 2023-08-28 Release date: 2024-09-04 Method: X-RAY DIFFRACTION (1.6 Å) Cite: An imine reductase that captures reactive intermediates in the biosynthesis of the indolocarbazole reductasporine To be published
6DP9	Crystal Structure of Bacillus Halodurans Ribonuclease H1 in Complex with an RNA/DNA Hybrid: Reaction in 2 mM Mn2+ and 200 mM K+ for 40 s at 21 C Descriptor: 1,2-ETHANEDIOL, DNA (5'-D(*CP*GP*AP*TP*GP*T)-3'), GLYCEROL, ... Authors: Samara, N.L, Yang, W. Deposit date: 2018-06-09 Release date: 2018-08-15 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (1.4 Å) Cite: Cation trafficking propels RNA hydrolysis. Nat. Struct. Mol. Biol., 25, 2018
8BSF	CRYSTAL STRUCTURE OF SARS-COV-2 RECEPTOR BINDING DOMAIN (RBD-beta variant) in complex with 3D2 Fab Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 3D2 FAB HEAVY CHAIN, 3D2 FAB LIGHT CHAIN, ... Authors: Welin, M, Kimbung, Y.R, Focht, D, Pisitkun, T. Deposit date: 2022-11-25 Release date: 2023-05-17 Last modified: 2024-10-23 Method: X-RAY DIFFRACTION (2.2 Å) Cite: Efficacy of the combination of monoclonal antibodies against the SARS-CoV-2 Beta and Delta variants. Plos One, 18, 2023
8TO3	EGFR(T790M/V948R) in complex with LN5461 Descriptor: 3-hydroxy-N-{(3P)-3-[(4P)-2-(methylsulfanyl)-5-{2-[4-(piperazin-1-yl)anilino]pyridin-4-yl}-1H-imidazol-4-yl]phenyl}-2-[(1-oxo-1,3-dihydro-2H-isoindol-2-yl)methyl]benzamide, Epidermal growth factor receptor, MAGNESIUM ION, ... Authors: Chitnis, S.C, Pham, C.D, Heppner, D.E. Deposit date: 2023-08-02 Release date: 2024-08-28 Method: X-RAY DIFFRACTION (2.49 Å) Cite: EGFR(T790M/V948R) in complex with LN5461 To Be Published
8B3K	Crystal structure of human Plexin-B1 (20-535) in the unbound state Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CADMIUM ION, Plexin-B1 Authors: Cowan, R, Hall, G, Carr, M. Deposit date: 2022-09-16 Release date: 2023-05-03 Last modified: 2024-11-06 Method: X-RAY DIFFRACTION (2.685 Å) Cite: Nanobody inhibitors of Plexin-B1 identify allostery in plexin-semaphorin interactions and signaling. J.Biol.Chem., 299, 2023

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