5WPH
| Crystal structure of ArsN, N-acetyltransferase with substrate AST from Pseudomonas putida KT2440 | Descriptor: | (2S)-2-amino-4-[hydroxy(methyl)arsoryl]butanoic acid, Phosphinothricin N-acetyltransferase, SODIUM ION | Authors: | Venkadesh, S, Dheeman, D.S, Yoshinaga, M, Kandavelu, P, Rosen, B.P. | Deposit date: | 2017-08-04 | Release date: | 2018-10-10 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.19 Å) | Cite: | Arsinothricin, an arsenic-containing non-proteinogenic amino acid analog of glutamate, is a broad-spectrum antibiotic. Commun Biol, 2, 2019
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4BAE
| Optimisation of pyrroleamides as mycobacterial GyrB ATPase inhibitors: Structure Activity Relationship and in vivo efficacy in the mouse model of tuberculosis | Descriptor: | 2-[(3S,4R)-4-[(3-bromanyl-4-chloranyl-5-methyl-1H-pyrrol-2-yl)carbonylamino]-3-methoxy-piperidin-1-yl]-4-(2-methyl-1,2,4-triazol-3-yl)-1,3-thiazole-5-carboxylic acid, CALCIUM ION, DNA GYRASE SUBUNIT B, ... | Authors: | Read, J.A, Gingell, H.G, Madhavapeddi, P. | Deposit date: | 2012-09-13 | Release date: | 2013-10-30 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Optimization of Pyrrolamides as Mycobacterial Gyrb ATPase Inhibitors: Structure Activity Relationship and in Vivo Efficacy in the Mouse Model of Tuberculosis. Antimicrob.Agents Chemother., 58, 2014
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7E9F
| Cryo-EM structure of the 2:1 Orc1 BAH domain in complex with nucleosome | Descriptor: | DNA (147-mer), Histone H2A.2, Histone H2B.2, ... | Authors: | Jiang, H, Yu, C, Liu, C.P, Han, X, Yu, Z, Xu, R.M. | Deposit date: | 2021-03-04 | Release date: | 2022-09-07 | Method: | ELECTRON MICROSCOPY (4 Å) | Cite: | Nucleosome binding relinquishes the association of the BAH domain of Orc1 with Sir1 To Be Published
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7E9C
| Cryo-EM structure of the 1:1 Orc1 BAH domain in complex with nucleosome | Descriptor: | DNA (147-mer), Histone H2A.2, Histone H2B.2, ... | Authors: | Jiang, H, Yu, C, Liu, C.P, Han, X, Yu, Z, Xu, R.M. | Deposit date: | 2021-03-04 | Release date: | 2022-09-07 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Nucleosome binding relinquishes the association of the BAH domain of Orc1 with Sir1 To Be Published
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3L95
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4K4X
| Coxsackievirus B3 polymerase elongation complex (r2_form), rna | Descriptor: | GLYCEROL, MAGNESIUM ION, RNA (5'-R(*AP*AP*GP*UP*CP*UP*CP*CP*AP*GP*GP*UP*CP*UP*CP*UP*CP*GP*UP*CP*GP*AP*AP*A)-3'), ... | Authors: | Gong, P, Peersen, O.B. | Deposit date: | 2013-04-12 | Release date: | 2013-05-22 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.37 Å) | Cite: | Structures of coxsackievirus, rhinovirus, and poliovirus polymerase elongation complexes solved by engineering RNA mediated crystal contacts. Plos One, 8, 2013
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4B3K
| Family 1 6-phospho-beta-D glycosidase from Streptococcus pyogenes | Descriptor: | BETA-GLUCOSIDASE | Authors: | Stepper, J, Dabin, J, Ekloef, J.M, Thongpoo, P, Kongsaeree, P.T, Taylor, E.J, Turkenburg, J.P, Brumer, H, Davies, G.J. | Deposit date: | 2012-07-24 | Release date: | 2013-01-09 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structure and Activity of the Streptococcus Pyogenes Family Gh1 6-Phospho Beta-Glycosidase Spy1599 Acta Crystallogr.,Sect.D, 69, 2013
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5R83
| PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with Z44592329 | Descriptor: | 3C-like proteinase, DIMETHYL SULFOXIDE, N-phenyl-N'-pyridin-3-ylurea | Authors: | Fearon, D, Powell, A.J, Douangamath, A, Owen, C.D, Wild, C, Krojer, T, Lukacik, P, Strain-Damerell, C.M, Walsh, M.A, von Delft, F. | Deposit date: | 2020-03-03 | Release date: | 2020-03-11 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | Crystallographic and electrophilic fragment screening of the SARS-CoV-2 main protease. Nat Commun, 11, 2020
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4BHN
| Crystal Structures of Ask1-inhibitor Complexes | Descriptor: | 4-tert-butyl-N-[6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-2-yl]benzamide, GLYCEROL, MITOGEN-ACTIVATED PROTEIN KINASE KINASE KINASE 5 | Authors: | Singh, O, Shillings, A, Craggs, P, Wall, I, Rowland, P, Skarzynski, T, Hobbs, C.I, Hardwick, P, Tanner, R, Blunt, M, Witty, D.R, Smith, K.J. | Deposit date: | 2013-04-04 | Release date: | 2013-07-03 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal Structures of Ask1-Inhibtor Complexes Provide a Platform for Structure Based Drug Design. Protein Sci., 22, 2013
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2YNP
| yeast betaprime COP 1-604 with KTKTN motif | Descriptor: | COATOMER SUBUNIT BETA', KTKTN MOTIF | Authors: | Jackson, L.P, Lewis, M, Kent, H.M, Edeling, M.A, Evans, P.R, Duden, R, Owen, D.J. | Deposit date: | 2012-10-17 | Release date: | 2012-12-12 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.962 Å) | Cite: | Molecular Basis for Recognition of Dilysine Trafficking Motifs by Copi. Dev.Cell, 23, 2012
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4BIC
| Crystal Structures of Ask1-inhibitor Complexes | Descriptor: | GLYCEROL, MITOGEN-ACTIVATED PROTEIN KINASE KINASE KINASE 5, N-(2-aminoethyl)-5-{1H-pyrrolo[2,3-b]pyridin-3-yl}thiophene-2-sulfonamide | Authors: | Singh, O, Shillings, A, Craggs, P, Wall, I, Rowland, P, Skarzynski, T, Hobbs, C.I, Hardwick, P, Tanner, R, Blunt, M, Witty, D.R, Smith, K.J. | Deposit date: | 2013-04-10 | Release date: | 2013-07-03 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.62 Å) | Cite: | Crystal Structures of Ask1-Inhibtor Complexes Provide a Platform for Structure Based Drug Design. Protein Sci., 22, 2013
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4K96
| Structure of Binary Complex of cGAS with Bound dsDNA | Descriptor: | Cyclic GMP-AMP synthase, DNA-F, DNA-R, ... | Authors: | Gao, P, Wu, Y, Patel, D.J. | Deposit date: | 2013-04-19 | Release date: | 2013-05-15 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.084 Å) | Cite: | Cyclic [G(2',5')pA(3',5')p] is the metazoan second messenger produced by DNA-activated cyclic GMP-AMP synthase. Cell(Cambridge,Mass.), 153, 2013
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3OL8
| Poliovirus polymerase elongation complex with CTP-Mn | Descriptor: | GLYCEROL, ISOPROPYL ALCOHOL, MANGANESE (II) ION, ... | Authors: | Gong, P, Peersen, O.B. | Deposit date: | 2010-08-25 | Release date: | 2010-12-22 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Structural basis for active site closure by the poliovirus RNA-dependent RNA polymerase. Proc.Natl.Acad.Sci.USA, 107, 2010
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1MAA
| MOUSE ACETYLCHOLINESTERASE CATALYTIC DOMAIN, GLYCOSYLATED PROTEIN | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYLCHOLINESTERASE, ... | Authors: | Bourne, Y, Taylor, P, Bougis, P.E, Marchot, P. | Deposit date: | 1998-11-04 | Release date: | 1999-04-20 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Crystal structure of mouse acetylcholinesterase. A peripheral site-occluding loop in a tetrameric assembly. J.Biol.Chem., 274, 1999
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1E36
| PORCINE PANCREATIC ELASTASE COMPLEXED WITH (3S, 4S)N-PARA-NITROBENZENESULPHONYL -3-ETHYL-4-(CARBOXYLIC ACID)PYRROLIDIN-2-ONE | Descriptor: | (2S,3S)-3-FORMYL-2-({[(4-NITROPHENYL)SULFONYL]AMINO}METHYL)PENTANOIC ACID, CALCIUM ION, ELASTASE, ... | Authors: | Wright, P.A, Wilmouth, R.C, Clifton, I.J, Schofield, C.J. | Deposit date: | 2000-06-06 | Release date: | 2000-10-18 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | 'Ph-Jump' Crystallographic Analyses of Gamma-Lactam-Porcine Pancreatic Elastase Complexes Biochem.J., 351, 2000
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3UKC
| (S)-cEt-BNA decamer structure | Descriptor: | DNA (5'-D(*GP*CP*GP*TP*AP*(1TL)P*AP*CP*GP*C)-3') | Authors: | Pallan, P.S, Egli, M. | Deposit date: | 2011-11-09 | Release date: | 2012-06-20 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | Structure and nuclease resistance of 2',4'-constrained 2'-O-methoxyethyl (cMOE) and 2'-O-ethyl (cEt) modified DNAs. Chem.Commun.(Camb.), 48, 2012
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1TSR
| P53 CORE DOMAIN IN COMPLEX WITH DNA | Descriptor: | DNA (5'-D(*AP*TP*AP*AP*TP*TP*GP*GP*GP*CP*AP*AP*GP*TP*CP*TP*A P*GP*GP*AP*A)-3'), DNA (5'-D(*TP*TP*TP*CP*CP*TP*AP*GP*AP*CP*TP*TP*GP*CP*CP*CP*A P*AP*TP*TP*A)-3'), PROTEIN (P53 TUMOR SUPPRESSOR), ... | Authors: | Cho, Y, Gorina, S, Jeffrey, P, Pavletich, N. | Deposit date: | 1995-07-28 | Release date: | 1996-01-29 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal structure of a p53 tumor suppressor-DNA complex: understanding tumorigenic mutations. Science, 265, 1994
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4OVB
| Crystal structure of Oncogenic Suppression Activity Protein - A Plasmid Fertility Inhibition Factor, Gold (I) Cyanide derivative | Descriptor: | GLYCEROL, GOLD (I) CYANIDE ION, PHOSPHATE ION, ... | Authors: | Maindola, P, Goyal, P, Arulandu, A. | Deposit date: | 2014-02-21 | Release date: | 2014-11-05 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.034 Å) | Cite: | Multiple enzymatic activities of ParB/Srx superfamily mediate sexual conflict among conjugative plasmids Nat Commun, 5, 2014
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1WV6
| X-ray structure of the A-decamer GCGTATACGC with a single 2'-O-butyl thymine in place of T6, Sr-form | Descriptor: | 5'-D(*GP*CP*GP*TP*AP*(2BT)P*AP*CP*GP*C)-3', STRONTIUM ION | Authors: | Egli, M, Minasov, G, Tereshko, V, Pallan, P.S, Teplova, M, Inamati, G.B, Lesnik, E.A, Owens, S.R, Ross, B.S, Prakash, T.P, Manoharam, M. | Deposit date: | 2004-12-11 | Release date: | 2005-06-28 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Probing the influence of stereoelectronic effects on the biophysical properties of oligonucleotides: comprehensive analysis of the RNA affinity, nuclease resistance, and crystal structure of ten 2'-O-ribonucleic acid modifications. Biochemistry, 44, 2005
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4JVR
| Co-crystal structure of MDM2 with inhibitor (2'S,3R,4'S,5'R)-N-(2-aminoethyl)-6-chloro-4'-(3-chloro-2-fluorophenyl)-2'-(2,2-dimethylpropyl)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxamide | Descriptor: | (2'S,3R,4'S,5'R)-N-(2-aminoethyl)-6-chloro-4'-(3-chloro-2-fluorophenyl)-2'-(2,2-dimethylpropyl)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxamide, E3 ubiquitin-protein ligase Mdm2 | Authors: | Huang, X, Gonzalez-Lopez de Turiso, F, Sun, D, Yosup, R, Bartberger, M.D, Beck, H.P, Cannon, J, Shaffer, P, Oliner, J.D, Olson, S.H, Medina, J.C. | Deposit date: | 2013-03-26 | Release date: | 2013-05-01 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Rational Design and Binding Mode Duality of MDM2-p53 Inhibitors. J.Med.Chem., 56, 2013
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4D60
| Structure of a dimeric Plasmodium falciparum profilin mutant | Descriptor: | PROFILIN, SULFATE ION | Authors: | Bhargav, S.P, Vahokoski, J, Kallio, J.P, Torda, A, Kursula, P, Kursula, I. | Deposit date: | 2014-11-07 | Release date: | 2015-06-03 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Two Independently Folding Units of Plasmodium Profilin Suggest Evolution Via Gene Fusion. Cell.Mol.Life Sci., 72, 2015
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1S32
| Molecular Recognition of the Nucleosomal 'Supergroove' | Descriptor: | 2-(2-CARBAMOYLMETHOXY-ETHOXY)-ACETAMIDE, 3-AMINO-(DIMETHYLPROPYLAMINE), 4-AMINO-(1-METHYLIMIDAZOLE)-2-CARBOXYLIC ACID, ... | Authors: | Edayathumangalam, R.S, Weyermann, P, Gottesfeld, J.M, Dervan, P.B, Luger, K. | Deposit date: | 2004-01-12 | Release date: | 2004-05-11 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Molecular Recognition of the Nucleosomal 'Supergroove' Proc.Natl.Acad.Sci.USA, 101, 2004
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5R81
| PanDDA analysis group deposition -- Crystal Structure of COVID-19 main protease in complex with Z1367324110 | Descriptor: | 1-methyl-3,4-dihydro-2~{H}-quinoline-7-sulfonamide, 3C-like proteinase, DIMETHYL SULFOXIDE | Authors: | Fearon, D, Powell, A.J, Douangamath, A, Owen, C.D, Wild, C, Krojer, T, Lukacik, P, Strain-Damerell, C.M, Walsh, M.A, von Delft, F. | Deposit date: | 2020-03-03 | Release date: | 2020-03-11 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Crystallographic and electrophilic fragment screening of the SARS-CoV-2 main protease. Nat Commun, 11, 2020
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4OD3
| Crystal structure of human Fab CAP256-VRC26.07, a potent V1V2-directed HIV-1 neutralizing antibody | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CAP256-VRC26.07 heavy chain, CAP256-VRC26.07 light chain, ... | Authors: | Gorman, J, Doria-Rose, N.A, Schramm, C.A, Moore, P.L, Mascola, J.R, Shapiro, L, Morris, L, Kwong, P.D. | Deposit date: | 2014-01-09 | Release date: | 2014-02-26 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.616 Å) | Cite: | Developmental pathway for potent V1V2-directed HIV-neutralizing antibodies. Nature, 509, 2014
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1WV5
| X-ray structure of the A-decamer GCGTATACGC with a single 2'-o-butyl thymine in place of T6, Mg-form | Descriptor: | 5'-D(*GP*CP*GP*TP*AP*(2BT)P*AP*CP*GP*C)-3', MAGNESIUM ION | Authors: | Egli, M, Minasov, G, Tereshko, V, Pallan, P.S, Teplova, M, Inamati, G.B, Lesnik, E.A, Owens, S.R, Ross, B.S, Prakash, T.P, Manoharam, M. | Deposit date: | 2004-12-11 | Release date: | 2005-06-28 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Probing the influence of stereoelectronic effects on the biophysical properties of oligonucleotides: comprehensive analysis of the RNA affinity, nuclease resistance, and crystal structure of ten 2'-O-ribonucleic acid modifications. Biochemistry, 44, 2005
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