8AQD
| Hydrophobic probe bound to Streptavidin - 1 | Descriptor: | 5-[(3~{a}~{S},4~{S},6~{a}~{R})-2-oxidanylidene-1,3,3~{a},4,6,6~{a}-hexahydrothieno[3,4-d]imidazol-4-yl]-~{N}-[2-[6-(dimethylamino)-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]ethyl]pentanamide, Streptavidin | Authors: | Igareta, N.V, Ward, T.R. | Deposit date: | 2022-08-12 | Release date: | 2022-08-31 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Hydrophobic probe bound to Streptavidin - 1 To Be Published
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8R5H
| Ubiquitin ligation to neosubstrate by a cullin-RING E3 ligase & Cdc34: NEDD8-CUL2-RBX1-ELOB/C-VHL-MZ1 with trapped UBE2R2~donor UB-BRD4 BD2 | Descriptor: | (2~{S},4~{R})-1-[(2~{S})-2-[2-[2-[2-[2-[2-[(9~{S})-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^{2,6}]trideca-2(6),4,7,10,12-pentaen-9-yl]ethanoylamino]ethoxy]ethoxy]ethoxy]ethanoylamino]-3,3-dimethyl-butanoyl]-~{N}-[[4-(4-methyl-2,3-dihydro-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide, 5-azanylpentan-2-one, Bromodomain-containing protein 4, ... | Authors: | Liwocha, J, Prabu, J.R, Kleiger, G, Schulman, B.A. | Deposit date: | 2023-11-16 | Release date: | 2024-02-21 | Last modified: | 2024-04-17 | Method: | ELECTRON MICROSCOPY (3.44 Å) | Cite: | Cullin-RING ligases employ geometrically optimized catalytic partners for substrate targeting. Mol.Cell, 84, 2024
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8AQJ
| Hydrophobic probe bound to Streptavidin - 2 | Descriptor: | 5-[(3~{a}~{S},4~{S},6~{a}~{R})-2-oxidanylidene-1,3,3~{a},4,6,6~{a}-hexahydrothieno[3,4-d]imidazol-4-yl]-~{N}-[2-[6-(dimethylamino)-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]ethyl]pentanamide, Streptavidin | Authors: | Igareta, N.V, Ward, T.R. | Deposit date: | 2022-08-12 | Release date: | 2022-08-31 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Hydrophobic probe bound to Streptavidin - 2 To Be Published
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8R1C
| SD1-2 Fab in complex with SARS-CoV-2 BA.2.12.1 Spike Glycoprotein | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, SD1-2 fab heavy chain, SD1-2 fab light chain, ... | Authors: | Duyvesteyn, H.M.E, Ren, J, Stuart, D.I. | Deposit date: | 2023-11-01 | Release date: | 2024-03-13 | Last modified: | 2024-04-10 | Method: | ELECTRON MICROSCOPY (2.2 Å) | Cite: | The SARS-CoV-2 neutralizing antibody response to SD1 and its evasion by BA.2.86. Nat Commun, 15, 2024
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8R41
| Structure of CHI3L1 in complex with inhibitor 1 | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BROMIDE ION, ... | Authors: | Nowak, E, Napiorkowska-Gromadzka, A, Nowotny, M. | Deposit date: | 2023-11-10 | Release date: | 2024-03-13 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Structure-Based Discovery of High-Affinity Small Molecule Ligands and Development of Tool Probes to Study the Role of Chitinase-3-Like Protein 1. J.Med.Chem., 67, 2024
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1A82
| DETHIOBIOTIN SYNTHETASE FROM ESCHERICHIA COLI, COMPLEX WITH SUBSTRATES ATP AND DIAMINOPELARGONIC ACID | Descriptor: | 7,8-DIAMINO-NONANOIC ACID, ADENOSINE-5'-TRIPHOSPHATE, DETHIOBIOTIN SYNTHETASE, ... | Authors: | Kaeck, H, Gibson, K.J, Lindqvist, Y, Schneider, G. | Deposit date: | 1998-03-31 | Release date: | 1999-05-11 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Snapshot of a phosphorylated substrate intermediate by kinetic crystallography. Proc.Natl.Acad.Sci.USA, 95, 1998
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8R4X
| Structure of Chitinase-3-like protein 1 in complex with inhibitor 30 | Descriptor: | (2~{S},5~{S})-4-[1-(4-chloranylpyridin-2-yl)piperidin-4-yl]-5-[(4-chlorophenyl)methyl]-2-methyl-morpholine, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Nowak, E, Napiorkowska-Gromadzka, A, Nowotny, M. | Deposit date: | 2023-11-14 | Release date: | 2024-03-13 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | Structure-Based Discovery of High-Affinity Small Molecule Ligands and Development of Tool Probes to Study the Role of Chitinase-3-Like Protein 1. J.Med.Chem., 67, 2024
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2ZLG
| The Structual Basis for Peptidomimetic Inhibition of Eukaryotic Ribonucleotide Reductase | Descriptor: | (5R,9S,12S,15S,18S,21S)-21-benzyl-12,18-bis(carboxymethyl)-15-cyclohexyl-1-(9H-fluoren-9-yl)-4-methyl-9-(2-methylpropyl)-3,6,10,13,16,19-hexaoxo-5-phenyl-2-oxa-4,8,11,14,17,20-hexaazadocosan-22-oic acid, GLYCEROL, Ribonucleoside-diphosphate reductase large chain 1 | Authors: | Xu, H, Fairman, J.W, Wijerathna, S.R, LaMacchia, J, Kreischer, N.R, Helmbrecht, E, Cooperman, B.S, Dealwis, C. | Deposit date: | 2008-04-09 | Release date: | 2008-08-19 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.52 Å) | Cite: | The Structural Basis for Peptidomimetic Inhibition of Eukaryotic Ribonucleotide Reductase: A Conformationally Flexible Pharmacophore J.Med.Chem., 51, 2008
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1AB5
| STRUCTURE OF CHEY MUTANT F14N, V21T | Descriptor: | CHEY | Authors: | Wilcock, D, Pisabarro, M.T, Lopez-Hernandez, E, Serrano, L, Coll, M. | Deposit date: | 1997-02-04 | Release date: | 1998-02-04 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structure analysis of two CheY mutants: importance of the hydrogen-bond contribution to protein stability. Acta Crystallogr.,Sect.D, 54, 1998
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8AGF
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8S55
| RNA polymerase II early elongation complex bound to TFIIE and TFIIF - state a (composite structure) | Descriptor: | DNA-directed RNA polymerase II subunit E, DNA-directed RNA polymerase II subunit RPB11-a, DNA-directed RNA polymerase II subunit RPB3, ... | Authors: | Zhan, Y, Grabbe, F, Oberbeckmann, E, Dienemann, C, Cramer, P. | Deposit date: | 2024-02-22 | Release date: | 2024-04-17 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Three-step mechanism of promoter escape by RNA polymerase II. Mol.Cell, 84, 2024
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1A14
| COMPLEX BETWEEN NC10 ANTI-INFLUENZA VIRUS NEURAMINIDASE SINGLE CHAIN ANTIBODY WITH A 5 RESIDUE LINKER AND INFLUENZA VIRUS NEURAMINIDASE | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, NC10 FV (HEAVY CHAIN), ... | Authors: | Malby, R.L, Mccoy, A.J, Kortt, A.A, Hudson, P.J, Colman, P.M. | Deposit date: | 1997-12-21 | Release date: | 1998-05-13 | Last modified: | 2023-08-02 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Three-dimensional structures of single-chain Fv-neuraminidase complexes. J.Mol.Biol., 279, 1998
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8S5N
| RNA polymerase II core initially transcribing complex with an ordered RNA of 12 nt | Descriptor: | DNA-directed RNA polymerase II subunit E, DNA-directed RNA polymerase II subunit RPB11-a, DNA-directed RNA polymerase II subunit RPB3, ... | Authors: | Zhan, Y, Grabbe, F, Oberbeckmann, E, Dienemann, C, Cramer, P. | Deposit date: | 2024-02-24 | Release date: | 2024-04-10 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Three-step mechanism of promoter escape by RNA polymerase II. Mol.Cell, 84, 2024
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2ZQV
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2WHM
| Cellvibrio japonicus Man26A E121A and E320G double mutant in complex with mannobiose | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ENDO-1,4-BETA MANNANASE, MAN26A, ... | Authors: | Durcos, V.M.A, Davies, G.J, Flint, J.E, Gilbert, H.J. | Deposit date: | 2009-05-05 | Release date: | 2009-05-26 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Understanding How Diverse -Mannanases Recognise Heterogeneous Substrates. Biochemistry, 48, 2009
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1AMA
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7ZOF
| Streptavidin Iron-Porphyrin | Descriptor: | (2R)-2-[5-[(3aS,4S,6aR)-2-oxidanylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]-3-[[(5Z,10Z,14Z,19Z)-15-[[[(2R)-2-[5-[(3aS,4S,6aR)-2-oxidanylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]-3-sulfo-propanoyl]amino]methyl]-1,4,21,23-tetrahydroporphyrin-5-yl]methylamino]-3-oxidanylidene-propane-1-sulfonic acid, FE (III) ION, IMIDAZOLE, ... | Authors: | Igareta, N.V, Ward, T.R. | Deposit date: | 2022-04-25 | Release date: | 2022-07-13 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | Streptavidin Iron-Porphyrin To Be Published
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2WSE
| Improved Model of Plant Photosystem I | Descriptor: | 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, AT3G54890, BETA-CAROTENE, ... | Authors: | Amunts, A, Toporik, H, Borovikov, A, Nelson, N. | Deposit date: | 2009-09-05 | Release date: | 2009-11-17 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (3.49 Å) | Cite: | Structure determination and improved model of plant photosystem I J. Biol. Chem., 285, 2010
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2WWB
| CRYO-EM STRUCTURE OF THE MAMMALIAN SEC61 COMPLEX BOUND TO THE ACTIVELY TRANSLATING WHEAT GERM 80S RIBOSOME | Descriptor: | 25S RRNA, 5.8S RRNA, 60S RIBOSOMAL PROTEIN L17-A, ... | Authors: | Becker, T, Mandon, E, Bhushan, S, Jarasch, A, Armache, J.P, Funes, S, Jossinet, F, Gumbart, J, Mielke, T, Berninghausen, O, Schulten, K, Westhof, E, Gilmore, R, Beckmann, R. | Deposit date: | 2009-10-22 | Release date: | 2009-12-08 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (6.48 Å) | Cite: | Structure of Monomeric Yeast and Mammalian Sec61 Complexes Interacting with the Translating Ribosome. Science, 326, 2009
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7ZYF
| Insulin regulated aminopeptidase (IRAP) in complex with a nanomolar alpha hydroxy beta amino acid based inhibitor. | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Mpakali, A, Stratikos, E, Giastas, P, Papakyriakou, A. | Deposit date: | 2022-05-24 | Release date: | 2022-07-20 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.81 Å) | Cite: | Discovery of Selective Nanomolar Inhibitors for Insulin-Regulated Aminopeptidase Based on alpha-Hydroxy-beta-amino Acid Derivatives of Bestatin. J.Med.Chem., 65, 2022
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7ZM3
| Crystal structure of HsaD from Mycobacterium tuberculosis in complex with Cyclipostin-like inhibitor CyC17 | Descriptor: | 4,5:9,10-diseco-3-hydroxy-5,9,17-trioxoandrosta-1(10),2-diene-4-oate hydrolase, SULFATE ION, hexadecyl dihydrogen phosphate | Authors: | Barelier, S, Roig-Zamboni, V, Cavalier, J.F, Sulzenbacher, G. | Deposit date: | 2022-04-19 | Release date: | 2022-09-28 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | Direct capture, inhibition and crystal structure of HsaD (Rv3569c) from M. tuberculosis. Febs J., 290, 2023
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7ZM4
| Crystal structure of HsaD from Mycobacterium tuberculosis in complex with Cyclipostin-like inhibitor CyC31 | Descriptor: | 4,5:9,10-diseco-3-hydroxy-5,9,17-trioxoandrosta-1(10),2-diene-4-oate hydrolase, SULFATE ION, undecyl dihydrogen phosphate | Authors: | Barelier, S, Roig-Zamboni, V, Cavalier, J.F, Sulzenbacher, G. | Deposit date: | 2022-04-19 | Release date: | 2022-09-28 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | Direct capture, inhibition and crystal structure of HsaD (Rv3569c) from M. tuberculosis. Febs J., 290, 2023
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2Y7Z
| Structure and property based design of factor Xa inhibitors: pyrrolidin-2-ones with aminoindane and phenylpyrrolidine P4 motifs | Descriptor: | 6-CHLORO-N-[(3S)-1-[(1S)-1-DIMETHYLAMINO-2,3-DIHYDRO-1H-INDEN-5-YL]-2-OXO-PYRROLIDIN-3-YL]NAPHTHALENE-2-SULFONAMIDE, ACTIVATED FACTOR XA HEAVY CHAIN, CALCIUM ION, ... | Authors: | Young, R.J, Adams, C, Blows, M, Brown, D, Burns-Kurtis, C.L, Chaudry, L, Chan, C, Convery, M.A, Davies, D.E, Exall, A.M, Foster, G, Harling, J.D, Hortense, E, Irving, W.R, Irvine, S, Jackson, S, Kleanthous, S, Pateman, A.J, Patikis, A.N, Roethka, T.J, Senger, S, Stelman, G.J, Toomey, J.R, West, R.I, Whittaker, C, Zhou, P, Watson, N.S. | Deposit date: | 2011-02-02 | Release date: | 2011-03-16 | Last modified: | 2019-10-16 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | Structure and Property Based Design of Factor Xa Inhibitors: Pyrrolidin-2-Ones with Aminoindane and Phenylpyrrolidine P4 Motifs. Bioorg.Med.Chem.Lett., 21, 2011
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1A35
| HUMAN TOPOISOMERASE I/DNA COMPLEX | Descriptor: | DNA (5'-D(*AP*AP*AP*AP*AP*GP*AP*CP*TP*TP*AP*GP*AP*AP*AP*AP*AP*(BRU)P*(BRU)P*TP*TP*T)-3'), DNA (5'-D(*AP*AP*AP*AP*AP*TP*+UP*+UP*+UP*+UP*CP*+UP*AP*AP*GP*TP*CP*TP*TP*TP*+ UP*T)-3'), PROTEIN (DNA TOPOISOMERASE I) | Authors: | Redinbo, M.R, Stewart, L, Kuhn, P, Champoux, J.J, Hol, W.G. | Deposit date: | 1998-01-29 | Release date: | 1998-08-28 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal structures of human topoisomerase I in covalent and noncovalent complexes with DNA. Science, 279, 1998
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1A96
| XPRTASE FROM E. COLI WITH BOUND CPRPP AND XANTHINE | Descriptor: | 1-ALPHA-PYROPHOSPHORYL-2-ALPHA,3-ALPHA-DIHYDROXY-4-BETA-CYCLOPENTANE-METHANOL-5-PHOSPHATE, BORIC ACID, MAGNESIUM ION, ... | Authors: | Vos, S, Parry, R.J, Burns, M.R, De Jersey, J, Martin, J.L. | Deposit date: | 1998-04-16 | Release date: | 1998-11-11 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structures of free and complexed forms of Escherichia coli xanthine-guanine phosphoribosyltransferase. J.Mol.Biol., 282, 1998
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