4MEO
| Crystal Structure of the first bromodomain of human BRD4 in complex with a 2-methyl-quinoline ligand | Descriptor: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, DIMETHYL SULFOXIDE, ... | Authors: | Filippakopoulos, P, Picaud, S, Felletar, I, Martin, S, Fedorov, O, Vidler, L.R, Brown, N, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Hoelder, S, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2013-08-27 | Release date: | 2013-09-25 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | Discovery of Novel Small-Molecule Inhibitors of BRD4 Using Structure-Based Virtual Screening. J.Med.Chem., 56, 2013
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1D1X
| BOVINE ENDOTHELIAL NITRIC OXIDE SYNTHASE HEME DOMAIN COMPLEXED WITH 1,4-PBITU (H4B BOUND) | Descriptor: | 2-{2-[4-(2-CARBAMIMIDOYLSULFANYL-ETHYL)-PHENYL]-ETHYL}-ISOTHIOUREA, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ... | Authors: | Raman, C.S, Li, H, Martasek, P, Southan, G.J, Masters, B.S.S, Poulos, T.L. | Deposit date: | 1999-09-21 | Release date: | 2001-07-25 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Implications for isoform-selective inhibitor design derived from the binding mode of bulky isothioureas to the heme domain of endothelial nitric-oxide synthase. J.Biol.Chem., 276, 2001
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6Y0J
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6TI3
| Apo-SHMT from Streptococcus thermophilus Tyr55Ser variant in complex with D-Threonine | Descriptor: | D-THREONINE, GLYCEROL, SODIUM ION, ... | Authors: | Petrillo, G, Hernandez, K, Bujons, J, Clapes, P, Uson, I. | Deposit date: | 2019-11-21 | Release date: | 2020-04-29 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Structural insights into nucleophile substrate specificity in variants of N-Serine hydroxymethyltransferase from Streptococcus thermophilus To Be Published
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6Y0F
| Structure of human FAPalpha in complex with linagliptin | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 8-[(3R)-3-Aminopiperidin-1-yl]-7-but-2-yn-1-yl-3-methyl-1-[(4-methylquinazolin-2-yl)methyl]-3,7-dihydro-1H-purine-2,6-d ione, ... | Authors: | Nar, H, Schnapp, G, Schreiner, P. | Deposit date: | 2020-02-07 | Release date: | 2021-02-17 | Last modified: | 2024-10-16 | Method: | X-RAY DIFFRACTION (2.924 Å) | Cite: | Structure of human FAPalpha in complex with linagliptin To Be Published
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4PNN
| Crystal Structure of human Tankyrase 2 in complex with 4HQN. | Descriptor: | Tankyrase-2, ZINC ION, quinazolin-4(1H)-one | Authors: | Qiu, W, Lam, R, Romanov, V, Gordon, R, Gebremeskel, S, Vodsedalek, J, Thompson, C, Beletskaya, I, Battaile, K.P, Pai, E.F, Chirgadze, N.Y. | Deposit date: | 2014-05-24 | Release date: | 2014-10-15 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Insights into the binding of PARP inhibitors to the catalytic domain of human tankyrase-2. Acta Crystallogr.,Sect.D, 70, 2014
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4PO2
| Crystal Structure of the Stress-Inducible Human Heat Shock Protein HSP70 Substrate-Binding Domain in Complex with Peptide Substrate | Descriptor: | HSP70 substrate peptide, Heat shock 70 kDa protein 1A/1B, PHOSPHATE ION, ... | Authors: | Zhang, P, Leu, J.I, Murphy, M.E, George, D.L, Marmorstein, R. | Deposit date: | 2014-02-24 | Release date: | 2014-08-20 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structure of the stress-inducible human heat shock protein 70 substrate-binding domain in complex with Peptide substrate. Plos One, 9, 2014
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1JUJ
| Human Thymidylate Synthase Bound to dUMP and LY231514, a Pyrrolo(2,3-d)pyrimidine-based Antifolate | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 2-{4-[2-(2-AMINO-4-OXO-4,7-DIHYDRO-3H-PYRROLO[2,3-D]PYRIMIDIN-5-YL)-ETHYL]-BENZOYLAMINO}-PENTANEDIOIC ACID, THYMIDYLATE SYNTHASE | Authors: | Sayre, P.H, Finer-Moore, J.S, Fritz, T.A, Biermann, D, Gates, S.B, MacKellar, W.C, Patel, V.F, Stroud, R.M. | Deposit date: | 2001-08-24 | Release date: | 2001-09-19 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Multi-targeted antifolates aimed at avoiding drug resistance form covalent closed inhibitory complexes with human and Escherichia coli thymidylate synthases. J.Mol.Biol., 313, 2001
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6TNQ
| Crystal structure of the human Arc N-lobe bound to repeat 4 from GKAP | Descriptor: | ACETYL GROUP, Activity-regulated cytoskeleton-associated protein, Chains: B,D,F | Authors: | Hallin, E.I, Bramham, C.R, Kursula, P. | Deposit date: | 2019-12-10 | Release date: | 2021-01-13 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Structural properties and peptide ligand binding of the capsid homology domains of human Arc. Biochem Biophys Rep, 26, 2021
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6TSS
| Crystal structure of horse L ferritin (HoLf) Fe(III)-loaded for 60 minutes | Descriptor: | CADMIUM ION, FE (III) ION, Ferritin light chain, ... | Authors: | Pozzi, C, Ciambellotti, S, Turano, P, Mangani, S. | Deposit date: | 2019-12-21 | Release date: | 2020-02-19 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.18 Å) | Cite: | Iron Biomineral Growth from the Initial Nucleation Seed in L-Ferritin. Chemistry, 26, 2020
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6AVC
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1D9F
| CRYSTAL STRUCTURE OF THE COMPLEX OF DNA POLYMERASE I KLENOW FRAGMENT WITH DNA TETRAMER CARRYING 2'-O-(3-AMINOPROPYL)-RNA MODIFICATION 5'-D(TT)-AP(U)-D(T)-3' | Descriptor: | DNA POLYMERASE I, DNA/RNA (5'-D(*TP*TP)-R(*(U31)P)-D(*T)-3'), SULFATE ION, ... | Authors: | Teplova, M, Wallace, S.T, Tereshko, V, Minasov, G, Simons, A.M, Cook, P.D, Manoharan, M, Egli, M. | Deposit date: | 1999-10-27 | Release date: | 1999-12-02 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structural origins of the exonuclease resistance of a zwitterionic RNA. Proc.Natl.Acad.Sci.USA, 96, 1999
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6TTT
| Crystal structure of the human METTL3-METTL14 complex bound to Compound 2 (ASI_M3M_140) | Descriptor: | (2~{S},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-~{N}-methyl-3,4-bis(oxidanyl)oxolane-2-carboxamide, ACETATE ION, N6-adenosine-methyltransferase catalytic subunit, ... | Authors: | Bedi, R.K, Huang, D, Sledz, P, Caflisch, A. | Deposit date: | 2019-12-30 | Release date: | 2020-03-04 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Small-Molecule Inhibitors of METTL3, the Major Human Epitranscriptomic Writer. Chemmedchem, 15, 2020
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1JY6
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4POF
| PfMCM N-terminal domain without DNA | Descriptor: | Cell division control protein 21, ZINC ION | Authors: | Froelich, C.A, Kang, S, Epling, L.B, Bell, S.P, Enemark, E.J. | Deposit date: | 2014-02-25 | Release date: | 2014-04-09 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.648 Å) | Cite: | A conserved MCM single-stranded DNA binding element is essential for replication initiation. Elife, 3, 2014
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6TQM
| Escherichia coli AdhE structure in its compact conformation | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, Aldehyde-alcohol dehydrogenase, FE (III) ION | Authors: | Fronzes, R, Pony, P. | Deposit date: | 2019-12-16 | Release date: | 2020-06-03 | Last modified: | 2023-11-15 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Filamentation of the bacterial bi-functional alcohol/aldehyde dehydrogenase AdhE is essential for substrate channeling and enzymatic regulation. Nat Commun, 11, 2020
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6TRG
| Salmonella typhimurium neuraminidase mutant (D100S) | Descriptor: | GLYCEROL, PHOSPHATE ION, Sialidase | Authors: | Garman, E.F, Salinger, M.T, Murray, J.W, Laver, W.G, Kuhn, P, Vimr, E.R. | Deposit date: | 2019-12-18 | Release date: | 2020-01-22 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1 Å) | Cite: | Salmonella typhimurium neuraminidase mutant (D100S) To Be Published
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1K1S
| Crystal Structure of DinB from Sulfolobus solfataricus | Descriptor: | DBH protein | Authors: | Silvian, L.F, Toth, E.A, Pham, P, Goodman, M.F, Ellenberger, T. | Deposit date: | 2001-09-25 | Release date: | 2001-10-31 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Crystal structure of a DinB family error-prone DNA polymerase from Sulfolobus solfataricus. Nat.Struct.Biol., 8, 2001
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6H41
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6TN7
| Crystal structure of the human Arc C-lobe | Descriptor: | Activity-regulated cytoskeleton-associated protein, GLYCEROL | Authors: | Hallin, E.I, Bramham, C.R, Kursula, P. | Deposit date: | 2019-12-06 | Release date: | 2020-12-16 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.67 Å) | Cite: | Structural properties and peptide ligand binding of the capsid homology domains of human Arc. Biochem Biophys Rep, 26, 2021
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1CZQ
| CRYSTAL STRUCTURE OF THE D10-P1/IQN17 COMPLEX: A D-PEPTIDE INHIBITOR OF HIV-1 ENTRY BOUND TO THE GP41 COILED-COIL POCKET. | Descriptor: | CHLORIDE ION, D-PEPTIDE INHIBITOR, FUSION PROTEIN BETWEEN THE HYDROPHOBIC POCKET OF HIV GP41 AND GCN4-PIQI | Authors: | Eckert, D.M, Malashkevich, V.N, Hong, L.H, Carr, P.A, Kim, P.S. | Deposit date: | 1999-09-06 | Release date: | 1999-10-13 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Inhibiting HIV-1 entry: discovery of D-peptide inhibitors that target the gp41 coiled-coil pocket. Cell(Cambridge,Mass.), 99, 1999
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4P7L
| Structure of Escherichia coli PgaB C-terminal domain, P212121 crystal form | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Poly-beta-1,6-N-acetyl-D-glucosamine N-deacetylase | Authors: | Little, D.J, Li, G, Ing, C, DiFrancesco, B, Bamford, N.C, Robinson, H, Nitz, M, Pomes, R, Howell, P.L. | Deposit date: | 2014-03-27 | Release date: | 2014-07-02 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.802 Å) | Cite: | Modification and periplasmic translocation of the biofilm exopolysaccharide poly-beta-1,6-N-acetyl-D-glucosamine. Proc.Natl.Acad.Sci.USA, 111, 2014
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3IIZ
| X-ray structure of the FeFe-hydrogenase maturase HydE from T. maritima in complex with S-adenosyl-L-methionine | Descriptor: | 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, Biotin synthetase, putative, ... | Authors: | Nicolet, Y, Amara, P, Mouesca, J.M, Fontecilla-Camps, J.C. | Deposit date: | 2009-08-03 | Release date: | 2009-09-22 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | Unexpected electron transfer mechanism upon AdoMet cleavage in radical SAM proteins Proc.Natl.Acad.Sci.USA, 2009
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1JHL
| THREE-DIMENSIONAL STRUCTURE OF A HETEROCLITIC ANTIGEN-ANTIBODY CROSS-REACTION COMPLEX | Descriptor: | IGG1-KAPPA D11.15 FV (HEAVY CHAIN), IGG1-KAPPA D11.15 FV (LIGHT CHAIN), PHEASANT EGG WHITE LYSOZYME | Authors: | Chitarra, V, Alzari, P.M, Bentley, G.A, Bhat, T.N, Eisele, J.-L, Poljak, R.J. | Deposit date: | 1993-05-04 | Release date: | 1994-01-31 | Last modified: | 2024-10-09 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Three-dimensional structure of a heteroclitic antigen-antibody cross-reaction complex. Proc.Natl.Acad.Sci.USA, 90, 1993
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6H6X
| Structure of an evolved dimeric form of the UbiD-class enzyme HmfF from Pelotomaculum thermopropionicum in complex with prFMN | Descriptor: | 1-deoxy-5-O-phosphono-1-(3,3,4,5-tetramethyl-9,11-dioxo-2,3,8,9,10,11-hexahydro-7H-quinolino[1,8-fg]pteridin-12-ium-7-y l)-D-ribitol, 3-polyprenyl-4-hydroxybenzoate decarboxylase and related decarboxylases, CALCIUM ION, ... | Authors: | Payne, K.A.P, Leys, D. | Deposit date: | 2018-07-30 | Release date: | 2019-02-27 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Enzymatic Carboxylation of 2-Furoic Acid Yields 2,5-Furandicarboxylic Acid (FDCA). Acs Catalysis, 9, 2019
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