PDB: 97138 resultsInfo pagesStatus searchChemie searchBIRD

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5HPB	human dihydrofolate reductase complex with NADPH and 5-methyl-6-(phenylthio-4'trifluoromethyl)thieno[2,3-d]pyrimidine-2,4-diamine Descriptor: 5-methyl-6-{[4-(trifluoromethyl)phenyl]sulfanyl}thieno[2,3-d]pyrimidine-2,4-diamine, Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... Authors: Cody, V, Ganjee, A. Deposit date: 2016-01-20 Release date: 2017-01-25 Last modified: 2023-09-27 Method: X-RAY DIFFRACTION (1.65 Å) Cite: Human dihydrofolate reductase ternary complex with a series offluorine substituted 5-methyl-6-phenythio)thieno[2,3-d]pyrimidine-2,4-diamines To Be Published
8IU1	Crystal structure of mouse Galectin-3 in complex with small molecule inhibitor Descriptor: 2-[(2R,3R,4S,5R,6R)-2-(3,4-dichlorophenyl)sulfanyl-6-(hydroxymethyl)-5-oxidanyl-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxan-3-yl]oxyethanoic acid, Galectin-3, MAGNESIUM ION Authors: Jinal, S, Amit, K, Ghosh, K. Deposit date: 2023-03-23 Release date: 2024-03-27 Method: X-RAY DIFFRACTION (1.97 Å) Cite: Discovery and Exploration of Monosaccharide Linked Dimers to Target Fibrosis To Be Published
8ITZ	Crystal structure of human Galectin-3 in complex with small molecule inhibitor Descriptor: 2-[(2R,3R,4S,5R,6R)-2-(3,4-dichlorophenyl)sulfanyl-6-(hydroxymethyl)-5-oxidanyl-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxan-3-yl]oxyethanoic acid, CHLORIDE ION, Galectin-3, ... Authors: Jinal, S, Amit, K, Ghosh, K. Deposit date: 2023-03-23 Release date: 2024-03-27 Method: X-RAY DIFFRACTION (1.22 Å) Cite: Discovery and Exploration of Monosaccharide Linked Dimers to Target Fibrosis To Be Published
1H88	CRYSTAL STRUCTURE OF TERNARY PROTEIN-DNA COMPLEX1 Descriptor: AMMONIUM ION, CCAAT/ENHANCER BINDING PROTEIN BETA, DNA(5'-(*CP*CP*AP*GP*TP*CP*CP*GP*TP*TP*AP* AP*GP*GP*AP*TP*TP*GP*CP*GP*CP*CP*AP*CP*AP*T)-3'), ... Authors: Tahirov, T.H, Ogata, K. Deposit date: 2001-01-29 Release date: 2002-01-28 Last modified: 2024-05-08 Method: X-RAY DIFFRACTION (2.8 Å) Cite: Mechanism of C-Myb-C/Ebpbeta Cooperation from Separated Sites on a Promoter Cell(Cambridge,Mass.), 108, 2002
3LJF	The X-ray structure of iron superoxide dismutase from Pseudoalteromonas haloplanktis (crystal form II) Descriptor: FE (III) ION, alpha-D-glucopyranose-(1-1)-alpha-D-glucopyranose, iron superoxide dismutase Authors: Merlino, A, Russo Krauss, I, Rossi, B, Conte, M, Vergara, A, Sica, F. Deposit date: 2010-01-26 Release date: 2010-09-08 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (2.1 Å) Cite: Structure and flexibility in cold-adapted iron superoxide dismutases: the case of the enzyme isolated from Pseudoalteromonas haloplanktis. J.Struct.Biol., 172, 2010
8ITX	Crystal structure of human Galectin-3 in complex with small molecule inhibitor Descriptor: 2-[(2S,3R,4S,5R,6R)-2-[2-[2,5-bis(chloranyl)phenyl]-5-methyl-1,2,4-triazol-3-yl]-4-[4-[4-chloranyl-3,5-bis(fluoranyl)phenyl]-1,2,3-triazol-1-yl]-6-(hydroxymethyl)-5-oxidanyl-oxan-3-yl]oxyethanoic acid, CHLORIDE ION, Galectin-3, ... Authors: Jinal, S, Ghosh, K. Deposit date: 2023-03-23 Release date: 2024-03-27 Method: X-RAY DIFFRACTION (1.12 Å) Cite: Discovery and Exploration of Monosaccharide Linked Dimers to Target Fibrosis To Be Published
8J44	Reductive Aminase RA34-WT Descriptor: 6-phosphogluconate dehydrogenase NAD-binding protein, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE Authors: Zheng, X.Y, Xu, G.C, Ni, Y. Deposit date: 2023-04-19 Release date: 2024-04-24 Method: X-RAY DIFFRACTION (2.25 Å) Cite: Dynamic kinetic reductive resolution of cyclic keto esters by newly identified stereo complementary reductive aminases. To Be Published
8J43	Reductive aminase RA29-WT Descriptor: 1,2-ETHANEDIOL, Beta-hydroxyacid dehydrogenase, 3-hydroxyisobutyrate dehydrogenase, ... Authors: Zheng, X.Y, Xu, G.C, Ni, Y. Deposit date: 2023-04-19 Release date: 2024-04-24 Method: X-RAY DIFFRACTION (2.03 Å) Cite: Dynamic kinetic reductive resolution of cyclic keto esters by newly identified stereo complementary reductive aminases. To Be Published
6KZS	Crystal structure of cytochrome P450mel 107F1 in complex with heme and imidazole Descriptor: Cytochrome P-450, IMIDAZOLE, PROTOPORPHYRIN IX CONTAINING FE Authors: Hou, X.D, Rao, Y.J, Icyishaka, P, Li, C.X, Lou, J.L. Deposit date: 2019-09-25 Release date: 2020-09-23 Last modified: 2023-11-22 Method: X-RAY DIFFRACTION (1.601 Å) Cite: Crystallization and X-ray analysis of cytochrome P450mel 107F1 with biaryl coupling reactivity To Be Published
8G8D	Crystal structure of DH1346 Fab in complex with HIV proximal MPER peptide Descriptor: DH1346 heavy chain, DH1346 light chain, FLUORIDE ION, ... Authors: Niyongabo, A, Janus, B.M, Ofek, G. Deposit date: 2023-02-17 Release date: 2024-05-22 Last modified: 2024-06-19 Method: X-RAY DIFFRACTION (2.02 Å) Cite: Vaccine induction of heterologous HIV-1-neutralizing antibody B cell lineages in humans. Cell, 187, 2024
8G8A	Crystal structure of DH1317.8 Fab in complex with HIV proximal MPER peptide Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, DH1317.8 heavy chain, DH1317.8 light chain, ... Authors: Janus, B.M, Astavans, A, Ofek, G. Deposit date: 2023-02-17 Release date: 2024-05-22 Last modified: 2024-06-19 Method: X-RAY DIFFRACTION (2.44 Å) Cite: Vaccine induction of heterologous HIV-1-neutralizing antibody B cell lineages in humans. Cell, 187, 2024
8W0K	Minimal PutA proline dehydrogenase domain (design #2) complexed with 1-hydroxyethane-1-sulfonate Descriptor: (1R)-1-hydroxyethane-1-sulfonic acid, Bifunctional protein PutA fusion protein, FLAVIN-ADENINE DINUCLEOTIDE Authors: Tanner, J.J, Meeks, K.R. Deposit date: 2024-02-13 Release date: 2024-07-03 Method: X-RAY DIFFRACTION (1.42 Å) Cite: Screening a knowledge-based library of low molecular weight compounds against the proline biosynthetic enzyme 1-pyrroline-5-carboxylate 1 (PYCR1) Protein Sci., 33, 2024
1GSH	STRUCTURE OF ESCHERICHIA COLI GLUTATHIONE SYNTHETASE AT PH 7.5 Descriptor: GLUTATHIONE BIOSYNTHETIC LIGASE Authors: Matsuda, K, Kato, H, Yamaguchi, H, Nishioka, T, Katsube, Y, Oda, J. Deposit date: 1995-05-16 Release date: 1996-07-11 Last modified: 2024-02-07 Method: X-RAY DIFFRACTION (2 Å) Cite: Crystal structure of glutathione synthetase at optimal pH: domain architecture and structural similarity with other proteins. Protein Eng., 9, 1996
1OYV	Crystal structure of tomato inhibitor-II in a ternary complex with subtilisin Carlsberg Descriptor: CALCIUM ION, Subtilisin Carlsberg, Wound-induced proteinase inhibitor-II Authors: Barrette-Ng, I.H, Ng, K.K, Cherney, M.M, Pearce, G, Ryan, C.A, James, M.N. Deposit date: 2003-04-07 Release date: 2003-07-15 Last modified: 2023-08-16 Method: X-RAY DIFFRACTION (2.5 Å) Cite: Structural basis of inhibition revealed by a 1:2 complex of the two-headed tomato inhibitor-II and subtilisin Carlsberg J.Biol.Chem., 278, 2003
8GB0	SARS-CoV-2 Spike H655Y variant, One RBD Open Descriptor: Spike glycoprotein Authors: Egri, S.B, Shen, K, Luban, J. Deposit date: 2023-02-24 Release date: 2023-04-26 Method: ELECTRON MICROSCOPY (4.1 Å) Cite: S:D614G and S:H655Y are gateway mutations that act epistatically to promote SARS-CoV-2 variant fitness. Biorxiv, 2023
1I8O	RHODOPSEUDOMONAS PALUSTRIS CYT C2 AMMONIA COMPLEX AT 1.15 ANGSTROM RESOLUTION Descriptor: AMMONIA, CYTOCHROME C2, HEME C, ... Authors: Garau, G, Geremia, S. Deposit date: 2001-03-15 Release date: 2001-04-04 Last modified: 2023-08-09 Method: X-RAY DIFFRACTION (1.15 Å) Cite: Cleavage of the iron-methionine bond in c-type cytochromes: crystal structure of oxidized and reduced cytochrome c(2) from Rhodopseudomonas palustris and its ammonia complex. Protein Sci., 11, 2002
6ROB	Human Carbonic Anhydrase II in complex with 4-cyanobenzenesulfonamide Descriptor: (4-CARBOXYPHENYL)(CHLORO)MERCURY, 4-cyanobenzenesulfonamide, Carbonic anhydrase 2, ... Authors: Gloeckner, S, Heine, A, Klebe, G. Deposit date: 2019-05-10 Release date: 2020-04-15 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (0.929 Å) Cite: The Influence of Varying Fluorination Patterns on the Thermodynamics and Kinetics of Benzenesulfonamide Binding to Human Carbonic Anhydrase II. Biomolecules, 10, 2020
6ZNR	MaeB PTA domain R535A mutant Descriptor: Malate dehydrogenase Authors: Lovering, A.L, Harding, C.J. Deposit date: 2020-07-06 Release date: 2021-02-17 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (2.217 Å) Cite: A rotary mechanism for allostery in bacterial hybrid malic enzymes. Nat Commun, 12, 2021
6ZNU	MaeB PTA domain E544R mutant Descriptor: ACETYL COENZYME *A, CHLORIDE ION, Malate dehydrogenase Authors: Lovering, A.L, Harding, C.J. Deposit date: 2020-07-06 Release date: 2021-02-17 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (2.33 Å) Cite: A rotary mechanism for allostery in bacterial hybrid malic enzymes. Nat Commun, 12, 2021
6ZNJ	MaeB full-length enzyme apoprotein form Descriptor: NADP-dependent malate dehydrogenase,Malate dehydrogenase Authors: Lovering, A.L, Harding, C.J. Deposit date: 2020-07-06 Release date: 2021-02-17 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (3.7 Å) Cite: A rotary mechanism for allostery in bacterial hybrid malic enzymes. Nat Commun, 12, 2021
6RRG	Human Carbonic Anhydrase II in complex with fluorinated benzenesulfonamide Descriptor: (4-CARBOXYPHENYL)(CHLORO)MERCURY, 3,5-DIFLUOROBENZENESULFONAMIDE, Carbonic anhydrase 2, ... Authors: Gloeckner, S, Heine, A, Klebe, G. Deposit date: 2019-05-17 Release date: 2020-04-15 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (1.127 Å) Cite: The Influence of Varying Fluorination Patterns on the Thermodynamics and Kinetics of Benzenesulfonamide Binding to Human Carbonic Anhydrase II. Biomolecules, 10, 2020
6RS5	Human Carbonic Anhydrase II in complex with fluorinated benzenesulfonamide Descriptor: (4-CARBOXYPHENYL)(CHLORO)MERCURY, 2,3,5,6-tetrakis(fluoranyl)-4-methyl-benzenesulfonamide, Carbonic anhydrase 2, ... Authors: Gloeckner, S, Ngo, K, Heine, A, Klebe, G. Deposit date: 2019-05-21 Release date: 2020-04-15 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (1.07 Å) Cite: The Influence of Varying Fluorination Patterns on the Thermodynamics and Kinetics of Benzenesulfonamide Binding to Human Carbonic Anhydrase II. Biomolecules, 10, 2020
6ZN4	MaeB malic enzyme domain apoprotein Descriptor: MAGNESIUM ION, NADP-dependent malate dehydrogenase,Malate dehydrogenase Authors: Lovering, A.L, Harding, C.J. Deposit date: 2020-07-06 Release date: 2021-02-17 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (1.679 Å) Cite: A rotary mechanism for allostery in bacterial hybrid malic enzymes. Nat Commun, 12, 2021
6ZN7	MaeB malic enzyme domain apoprotein Descriptor: MAGNESIUM ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, NADP-dependent malate dehydrogenase,Malate dehydrogenase Authors: Lovering, A.L, Harding, C.J. Deposit date: 2020-07-06 Release date: 2021-02-17 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (1.67 Å) Cite: A rotary mechanism for allostery in bacterial hybrid malic enzymes. Nat Commun, 12, 2021
6ZNK	MaeB PTA domain N718D mutant Descriptor: Malate dehydrogenase, SULFATE ION Authors: Lovering, A.L, Harding, C.J. Deposit date: 2020-07-06 Release date: 2021-02-17 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (3.039 Å) Cite: A rotary mechanism for allostery in bacterial hybrid malic enzymes. Nat Commun, 12, 2021

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