PDB: 184427 resultsInfo pagesStatus searchChemie searchBIRD

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7H09	Crystal structure of SARS-CoV-2 NSP3 Macrodomain in complex with ASAP-0011177-001 Descriptor: (4M)-1-methyl-4-(4-{[(1R)-2-methyl-1-(3-oxo-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-6-yl)propyl]amino}-7H-pyrrolo[2,3-d]pyrimidin-6-yl)-1H-pyrazole-5-carbonitrile, Papain-like protease nsp3 Authors: Aschenbrenner, J.C, Fearon, D, Tomlinson, C.W.E, Marples, P.G, Fairhead, M, Balcomb, B.H, Chandran, A.V, Godoy, A.S, Koekemoer, L, Lithgo, R.M, Ni, X, Thompson, W, Wang, S, Wild, C, Williams, E.P, Winokan, M, Walsh, M.A, von Delft, F. Deposit date: 2024-01-23 Release date: 2024-05-15 Method: X-RAY DIFFRACTION (1.39 Å) Cite: Group deposition of SARS-CoV-2 NSP3 Macrodomain in complex with inhibitors from the ASAP AViDD centre To Be Published
7H0Q	Crystal structure of SARS-CoV-2 NSP3 Macrodomain in complex with ASAP-0013821-001 Descriptor: 4-{[(1S)-1-(2-aminopyridin-4-yl)-2-methylpropyl]amino}-N-ethyl-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide, Papain-like protease nsp3 Authors: Aschenbrenner, J.C, Fearon, D, Tomlinson, C.W.E, Marples, P.G, Fairhead, M, Balcomb, B.H, Chandran, A.V, Godoy, A.S, Koekemoer, L, Lithgo, R.M, Ni, X, Thompson, W, Wang, S, Wild, C, Williams, E.P, Winokan, M, Walsh, M.A, von Delft, F. Deposit date: 2024-01-23 Release date: 2024-05-15 Method: X-RAY DIFFRACTION (1.15 Å) Cite: Group deposition of SARS-CoV-2 NSP3 Macrodomain in complex with inhibitors from the ASAP AViDD centre To Be Published
4ZJM	Crystal Structure of Mycobacterium tuberculosis LpqH (Rv3763) Descriptor: CHLORIDE ION, GLYCEROL, Lipoprotein LpqH, ... Authors: Arbing, M.A, Chan, S, Kuo, E, Harris, L.R, Zhou, T.T, Eisenberg, D, TB Structural Genomics Consortium (TBSGC) Deposit date: 2015-04-29 Release date: 2015-05-13 Last modified: 2023-09-27 Method: X-RAY DIFFRACTION (2.851 Å) Cite: Crystal Structure of Mycobacterium tuberculosis LpqH (Rv3763) To Be Published
4WHE	Crystal structure of E. coli phage shock protein A (PspA 1-144) Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Phage shock protein A Authors: Parthier, C, Schoepfel, M, Stubbs, M.T, Osadnik, H, Brueser, T. Deposit date: 2014-09-22 Release date: 2015-09-02 Last modified: 2024-05-08 Method: X-RAY DIFFRACTION (1.8 Å) Cite: PspF-binding domain PspA1-144 and the PspAF complex: New insights into the coiled-coil-dependent regulation of AAA+ proteins. Mol.Microbiol., 98, 2015
4OQG	Crystal structure of TEM-1 beta-lactamase in complex with boron-based inhibitor EC25 Descriptor: 3-[(2R)-2-{[(2R)-2-amino-2-phenylacetyl]amino}-2-(dihydroxyboranyl)ethyl]benzoic acid, Ampicillin resistance protein, ZINC ION Authors: Dellus-Gur, E, Elias, M, Fraser, J.S, Tawfik, D.S. Deposit date: 2014-02-09 Release date: 2015-05-20 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (2.4 Å) Cite: Negative Epistasis and Evolvability in TEM-1 beta-Lactamase--The Thin Line between an Enzyme's Conformational Freedom and Disorder. J. Mol. Biol., 427, 2015
1EQZ	X-RAY STRUCTURE OF THE NUCLEOSOME CORE PARTICLE AT 2.5 A RESOLUTION Descriptor: 146 NUCLEOTIDES LONG DNA, CACODYLATE ION, CHLORIDE ION, ... Authors: Hanson, B.L, Harp, J.M, Timm, D.E, Bunick, G.J. Deposit date: 2000-04-06 Release date: 2000-04-17 Last modified: 2023-08-09 Method: X-RAY DIFFRACTION (2.5 Å) Cite: Asymmetries in the nucleosome core particle at 2.5 A resolution. Acta Crystallogr.,Sect.D, 56, 2000
7GZ1	Crystal structure of SARS-CoV-2 NSP3 Macrodomain in complex with ASAP-0000061-001 Descriptor: 3-chloro-N-(1H-pyrazolo[3,4-b]pyridin-5-yl)pyridine-4-carboxamide, Non-structural protein 3 Authors: Aschenbrenner, J.C, Fearon, D, Tomlinson, C.W.E, Marples, P.G, Fairhead, M, Balcomb, B.H, Chandran, A.V, Godoy, A.S, Koekemoer, L, Lithgo, R.M, Ni, X, Thompson, W, Wang, S, Wild, C, Williams, E.P, Winokan, M, Walsh, M.A, von Delft, F. Deposit date: 2024-01-23 Release date: 2024-05-15 Method: X-RAY DIFFRACTION (1.171 Å) Cite: Group deposition of SARS-CoV-2 NSP3 Macrodomain in complex with inhibitors from the ASAP AViDD centre To Be Published
7GZ0	Crystal structure of SARS-CoV-2 NSP3 Macrodomain in complex with ASAP-0000051-001 Descriptor: (3S)-3-{[(1H-pyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl}-1lambda~6~-thiane-1,1-dione, Papain-like protease nsp3 Authors: Aschenbrenner, J.C, Fearon, D, Tomlinson, C.W.E, Marples, P.G, Fairhead, M, Balcomb, B.H, Chandran, A.V, Godoy, A.S, Koekemoer, L, Lithgo, R.M, Ni, X, Thompson, W, Wang, S, Wild, C, Williams, E.P, Winokan, M, Walsh, M.A, von Delft, F. Deposit date: 2024-01-23 Release date: 2024-05-15 Method: X-RAY DIFFRACTION (1.155 Å) Cite: Group deposition of SARS-CoV-2 NSP3 Macrodomain in complex with inhibitors from the ASAP AViDD centre To Be Published
3ENS	Crystal structure of human FXA in complex with methyl (2Z)-3-[(3-chloro-1H-indol-7-yl)amino]-2-cyano-3-{[(3S)-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-3-yl]amino}acrylate Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ACETATE ION, Activated factor Xa heavy chain, ... Authors: Klei, H.E. Deposit date: 2008-09-25 Release date: 2008-12-30 Last modified: 2017-10-25 Method: X-RAY DIFFRACTION (2.3 Å) Cite: Design, Structure-Activity Relationships, X-ray Crystal Structure, and Energetic Contributions of a Critical P1 Pharmacophore: 3-Chloroindole-7-yl-Based Factor Xa Inhibitors. J.Med.Chem., 51, 2008
7GZE	Crystal structure of SARS-CoV-2 NSP3 Macrodomain in complex with ASAP-0000601-001 Descriptor: (3R)-3-(4-bromophenyl)-3-{[5-(dimethylamino)pyridine-2-carbonyl]amino}propanoic acid, Non-structural protein 3 Authors: Aschenbrenner, J.C, Fearon, D, Tomlinson, C.W.E, Marples, P.G, Fairhead, M, Balcomb, B.H, Chandran, A.V, Godoy, A.S, Koekemoer, L, Lithgo, R.M, Ni, X, Thompson, W, Wang, S, Wild, C, Williams, E.P, Winokan, M, Walsh, M.A, von Delft, F. Deposit date: 2024-01-23 Release date: 2024-05-15 Method: X-RAY DIFFRACTION (1.14 Å) Cite: Group deposition of SARS-CoV-2 NSP3 Macrodomain in complex with inhibitors from the ASAP AViDD centre To Be Published
7GZM	Crystal structure of SARS-CoV-2 NSP3 Macrodomain in complex with ASAP-0008324-001 Descriptor: N-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-D-valine, Non-structural protein 3 Authors: Aschenbrenner, J.C, Fearon, D, Tomlinson, C.W.E, Marples, P.G, Fairhead, M, Balcomb, B.H, Chandran, A.V, Godoy, A.S, Koekemoer, L, Lithgo, R.M, Ni, X, Thompson, W, Wang, S, Wild, C, Williams, E.P, Winokan, M, Walsh, M.A, von Delft, F. Deposit date: 2024-01-23 Release date: 2024-05-15 Method: X-RAY DIFFRACTION (1.16 Å) Cite: Group deposition of SARS-CoV-2 NSP3 Macrodomain in complex with inhibitors from the ASAP AViDD centre To Be Published
4WK5	Crystal structure of a Isoprenoid Synthase family member from Thermotoga neapolitana DSM 4359, target EFI-509458 Descriptor: Geranyltranstransferase Authors: Toro, R, Bhosle, R, Vetting, M.W, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Sojitra, S, Stead, M, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hillerich, B, Love, J, Seidel, R.D, Whalen, K.L, Gerlt, J.A, Poulter, C.D, Almo, S.C, Enzyme Function Initiative (EFI) Deposit date: 2014-10-01 Release date: 2014-11-19 Last modified: 2023-12-27 Method: X-RAY DIFFRACTION (1.7 Å) Cite: Crystal structure of a Isoprenoid Synthase family member from Thermotoga neapolitana DSM 4359, target EFI-509458 To be published
1ANA	HELIX GEOMETRY AND HYDRATION IN AN A-DNA TETRAMER. IC-C-G-G Descriptor: DNA (5'-D(*(C38)P*CP*GP*G)-3') Authors: Conner, B.N, Yoon, C, Dickerson, J.L, Dickerson, R.E. Deposit date: 1982-06-04 Release date: 1982-07-29 Last modified: 2024-02-07 Method: X-RAY DIFFRACTION (2 Å) Cite: Helix geometry and hydration in an A-DNA tetramer: IC-C-G-G J.Mol.Biol., 174, 1984
1O91	Crystal Structure of a Collagen VIII NC1 Domain Trimer Descriptor: 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, COLLAGEN ALPHA 1(VIII) CHAIN, SULFATE ION Authors: Kvansakul, M, Bogin, O, Hohenester, E, Yayon, A. Deposit date: 2002-12-10 Release date: 2003-11-20 Last modified: 2023-12-13 Method: X-RAY DIFFRACTION (1.9 Å) Cite: Crystal Structure of the Collagen Alpha1(Viii) Nc1 Trimer. Matrix Biol., 22, 2003
7H0F	Crystal structure of SARS-CoV-2 NSP3 Macrodomain in complex with ASAP-0011207-001 Descriptor: N-cyclopropyl-4-{[(1R)-1-(1,1-dioxo-1,2,3,4-tetrahydro-1lambda~6~-benzothiopyran-7-yl)-2-methylpropyl]amino}-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide, Papain-like protease nsp3 Authors: Aschenbrenner, J.C, Fearon, D, Tomlinson, C.W.E, Marples, P.G, Fairhead, M, Balcomb, B.H, Chandran, A.V, Godoy, A.S, Koekemoer, L, Lithgo, R.M, Ni, X, Thompson, W, Wang, S, Wild, C, Williams, E.P, Winokan, M, Walsh, M.A, von Delft, F. Deposit date: 2024-01-23 Release date: 2024-05-15 Method: X-RAY DIFFRACTION (1.26 Å) Cite: Group deposition of SARS-CoV-2 NSP3 Macrodomain in complex with inhibitors from the ASAP AViDD centre To Be Published
8SCX	Cryo-EM structure of the core TIM23 complex from S. cerevisiae Descriptor: Antibody Fab fragment heavy chain, Antibody Fab fragment light chain, CARDIOLIPIN, ... Authors: Sim, S.I, Park, E. Deposit date: 2023-04-05 Release date: 2023-06-21 Last modified: 2023-10-04 Method: ELECTRON MICROSCOPY (2.7 Å) Cite: Structural basis of mitochondrial protein import by the TIM23 complex. Nature, 621, 2023
7H0B	Crystal structure of SARS-CoV-2 NSP3 Macrodomain in complex with ASAP-0010716-001 Descriptor: (4M)-4-(4-{[(1R)-1-(2,3-dihydro[1,4]dioxino[2,3-b]pyridin-6-yl)-2-methylpropyl]amino}-7H-pyrrolo[2,3-d]pyrimidin-6-yl)-1-methyl-1H-pyrazole-5-carbonitrile, Papain-like protease nsp3 Authors: Aschenbrenner, J.C, Fearon, D, Tomlinson, C.W.E, Marples, P.G, Fairhead, M, Balcomb, B.H, Chandran, A.V, Godoy, A.S, Koekemoer, L, Lithgo, R.M, Ni, X, Thompson, W, Wang, S, Wild, C, Williams, E.P, Winokan, M, Walsh, M.A, von Delft, F. Deposit date: 2024-01-23 Release date: 2024-05-15 Method: X-RAY DIFFRACTION (1.5 Å) Cite: Group deposition of SARS-CoV-2 NSP3 Macrodomain in complex with inhibitors from the ASAP AViDD centre To Be Published
7H0Y	Crystal structure of SARS-CoV-2 NSP3 Macrodomain in complex with ASAP-0013258-001 Descriptor: 4-{[(1S)-1-(1,1-dioxo-1,2,3,4-tetrahydro-1lambda~6~-benzothiopyran-7-yl)-2-methylpropyl]amino}-N-(1-methylazetidin-3-yl)-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide, Papain-like protease nsp3 Authors: Aschenbrenner, J.C, Fearon, D, Tomlinson, C.W.E, Marples, P.G, Fairhead, M, Balcomb, B.H, Chandran, A.V, Godoy, A.S, Koekemoer, L, Lithgo, R.M, Ni, X, Thompson, W, Wang, S, Wild, C, Williams, E.P, Winokan, M, Walsh, M.A, von Delft, F. Deposit date: 2024-01-23 Release date: 2024-05-15 Method: X-RAY DIFFRACTION (1.51 Å) Cite: Group deposition of SARS-CoV-2 NSP3 Macrodomain in complex with inhibitors from the ASAP AViDD centre To Be Published
2BKT	crystal structure of renin-pf00257567 complex Descriptor: 1-{4-[3-(2-METHOXY-BENZYLOXY)-PROPOXY]-PHENYL}-6-(1,2,,3,4-TETRAHYDRO-QUINOLIN-7-YLOXYMETHYL)-PIPERAZIN-2-ONE, RENIN Authors: Powell, N.A, Clay, E.H, Holsworth, D.D, Edmunds, J.J, Bryant, J.W, Ryan, J.M, Jalaie, M, Zhang, E. Deposit date: 2005-02-18 Release date: 2006-04-05 Last modified: 2011-07-13 Method: X-RAY DIFFRACTION (2.3 Å) Cite: Equipotent Activity in Both Enantiomers of a Series of Ketopiperazine-Based Renin Inhibitors Bioorg.Med.Chem.Lett., 15, 2005
6RKQ	Crystal Structure of TGT in complex with N2-methyl-8-(prop-1-yn-1-yl)-3H,7H,8H-imidazo[4,5-g]quinazoline-2,6-diamine Descriptor: (8~{R})-~{N}2-methyl-8-prop-1-ynyl-7,8-dihydro-3~{H}-imidazo[4,5-g]quinazoline-2,6-diamine, DIMETHYL SULFOXIDE, GLYCEROL, ... Authors: Hassaan, E, Heine, A, Klebe, G. Deposit date: 2019-04-30 Release date: 2020-06-03 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (1.665 Å) Cite: Fragment Screening Hit Draws Attention to a Novel Transient Pocket Adjacent to the Recognition Site of the tRNA-Modifying Enzyme TGT. J.Med.Chem., 63, 2020
7H0S	Crystal structure of SARS-CoV-2 NSP3 Macrodomain in complex with ASAP-0013769-001 Descriptor: 4-{[(1S)-1-(2-acetamido-1,3-benzothiazol-6-yl)-2-methylpropyl]amino}-N-ethyl-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide, Papain-like protease nsp3 Authors: Aschenbrenner, J.C, Fearon, D, Tomlinson, C.W.E, Marples, P.G, Fairhead, M, Balcomb, B.H, Chandran, A.V, Godoy, A.S, Koekemoer, L, Lithgo, R.M, Ni, X, Thompson, W, Wang, S, Wild, C, Williams, E.P, Winokan, M, Walsh, M.A, von Delft, F. Deposit date: 2024-01-23 Release date: 2024-05-15 Method: X-RAY DIFFRACTION (1.29 Å) Cite: Group deposition of SARS-CoV-2 NSP3 Macrodomain in complex with inhibitors from the ASAP AViDD centre To Be Published
5E5M	Crystal structure of mouse CTLA-4 in complex with nanobody Descriptor: CTLA-4 nanobody, Cytotoxic T-lymphocyte protein 4, GLYCEROL Authors: Fedorov, A.A, Fedorov, E.V, Samanta, D, Bonanno, J.B, Almo, S.C. Deposit date: 2015-10-08 Release date: 2016-10-12 Last modified: 2019-01-30 Method: X-RAY DIFFRACTION (2.182 Å) Cite: Crystal structure of mouse CTLA-4 in complex with nanobody To Be Published
7DJI	Crystal structure of Lymnaea stagnalis Acetylcholine binding protein (AChBP) complexed with Paraherquamide A Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholine-binding protein, Paraherquamide A Authors: Ihara, M, Matsuda, K. Deposit date: 2020-11-20 Release date: 2021-11-24 Last modified: 2023-11-29 Method: X-RAY DIFFRACTION (2.2 Å) Cite: Determinants of subtype-selectivity of the anthelmintic paraherquamide A on Caenorhabditis elegans nicotinic acetylcholine receptors. Mol.Pharmacol., 2023
2R4Z	Ligand Migration and Binding in The Dimeric Hemoglobin of Scapharca Inaequivalvis: Structure of I25W with CO Descriptor: CARBON MONOXIDE, Globin-1, PHOSPHATE ION, ... Authors: Knapp, J.E, Royer Jr, W.E, Nienhaus, K, Palladino, P, Nienhaus, G.U. Deposit date: 2007-09-02 Release date: 2007-11-27 Last modified: 2023-10-25 Method: X-RAY DIFFRACTION (1.6 Å) Cite: Ligand Migration and Binding in the Dimeric Hemoglobin of Scapharca inaequivalvis Biochemistry, 46, 2007
7GZC	Crystal structure of SARS-CoV-2 NSP3 Macrodomain in complex with ASAP-0000588-001 Descriptor: (3R)-3-(4-fluorophenyl)-3-[(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)amino]propanoic acid, Non-structural protein 3 Authors: Aschenbrenner, J.C, Fearon, D, Tomlinson, C.W.E, Marples, P.G, Fairhead, M, Balcomb, B.H, Chandran, A.V, Godoy, A.S, Koekemoer, L, Lithgo, R.M, Ni, X, Thompson, W, Wang, S, Wild, C, Williams, E.P, Winokan, M, Walsh, M.A, von Delft, F. Deposit date: 2024-01-23 Release date: 2024-05-15 Method: X-RAY DIFFRACTION (1.185 Å) Cite: Group deposition of SARS-CoV-2 NSP3 Macrodomain in complex with inhibitors from the ASAP AViDD centre To Be Published

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