6RIO
| Imidazole Polyamide-DNA complex NMR structure (5'-CGATGTACATCG-3') | Descriptor: | 3-[3-[[4-[[4-[[4-[[4-[[(2~{R})-2-azaniumyl-4-[[1-methyl-4-[[1-methyl-4-[[1-methyl-4-[(1-methylimidazol-2-yl)carbonylamino]pyrrol-2-yl]carbonylamino]pyrrol-2-yl]carbonylamino]pyrrol-2-yl]carbonylamino]butanoyl]amino]-1-methyl-imidazol-2-yl]carbonylamino]-1-methyl-pyrrol-2-yl]carbonylamino]-1-methyl-pyrrol-2-yl]carbonylamino]-1-methyl-pyrrol-2-yl]carbonylamino]propanoylamino]propyl-dimethyl-azanium, DNA (5'-(*(DC5)P*GP*AP*TP*GP*TP*AP*CP*AP*TP*CP*(DG3))-3') | Authors: | Padroni, G, Withers, J.M, Taladriz-Sender, A, Reichenbach, L.F, Parkinson, J.A, Burley, G.A. | Deposit date: | 2019-04-24 | Release date: | 2019-06-12 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Sequence-Selective Minor Groove Recognition of a DNA Duplex Containing Synthetic Genetic Components. J.Am.Chem.Soc., 141, 2019
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6ROI
| Cryo-EM structure of the partially activated Drs2p-Cdc50p | Descriptor: | (2R)-1-{[(R)-hydroxy{[(1R,2R,3R,4R,5S,6R)-2,3,5,6-tetrahydroxy-4-(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}-3-(octadecanoyloxy)propan-2-yl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Timcenko, M, Lyons, J.A, Januliene, D, Ulstrup, J.J, Dieudonne, T, Montigny, C, Ash, M.R, Karlsen, J.L, Boesen, T, Kuhlbrandt, W, Lenoir, G, Moeller, A, Nissen, P. | Deposit date: | 2019-05-13 | Release date: | 2019-07-03 | Last modified: | 2020-07-29 | Method: | ELECTRON MICROSCOPY (3.7 Å) | Cite: | Structure and autoregulation of a P4-ATPase lipid flippase. Nature, 571, 2019
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6ROJ
| Cryo-EM structure of the activated Drs2p-Cdc50p | Descriptor: | (2R)-1-{[(R)-hydroxy{[(1R,2R,3R,4R,5S,6R)-2,3,5,6-tetrahydroxy-4-(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}-3-(octadecanoyloxy)propan-2-yl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Cell division control protein 50, ... | Authors: | Timcenko, M, Lyons, J.A, Januliene, D, Ulstrup, J.J, Dieudonne, T, Montigny, C, Ash, M.R, Karlsen, J.L, Boesen, T, Kuhlbrandt, W, Lenoir, G, Moeller, A, Nissen, P. | Deposit date: | 2019-05-13 | Release date: | 2019-07-03 | Last modified: | 2020-07-29 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Structure and autoregulation of a P4-ATPase lipid flippase. Nature, 571, 2019
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6RRK
| Crystal structure of the central region of human cohesin subunit STAG1 in complex with RAD21 peptide | Descriptor: | Cohesin subunit SA-1, Double-strand-break repair protein rad21 homolog | Authors: | Newman, J.A, katis, V.L, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. | Deposit date: | 2019-05-20 | Release date: | 2019-06-26 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (3.17 Å) | Cite: | STAG1 vulnerabilities for exploiting cohesin synthetic lethality in STAG2-deficient cancers. Life Sci Alliance, 3, 2020
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6ROH
| Cryo-EM structure of the autoinhibited Drs2p-Cdc50p | Descriptor: | 1,2-DICAPROYL-SN-PHOSPHATIDYL-L-SERINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Timcenko, M, Lyons, J.A, Januliene, D, Ulstrup, J.J, Dieudonne, T, Montigny, C, Ash, M.R, Karlsen, J.L, Boesen, T, Kuhlbrandt, W, Lenoir, G, Moeller, A, Nissen, P. | Deposit date: | 2019-05-13 | Release date: | 2019-07-03 | Last modified: | 2020-07-29 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | Structure and autoregulation of a P4-ATPase lipid flippase. Nature, 571, 2019
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6S37
| Ligand binding domain of the P. putida receptor PcaY_PP in complex with salicylic acid | Descriptor: | 2-HYDROXYBENZOIC ACID, ACETATE ION, Aromatic acid chemoreceptor | Authors: | Gavira, J.A, Mantilla, M.A, Fernandez, M, Krell, T. | Deposit date: | 2019-06-24 | Release date: | 2020-10-21 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | The structural basis for signal promiscuity in a bacterial chemoreceptor. Febs J., 288, 2021
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6S18
| Ligand binding domain of the P. putida receptor PcaY_PP in complex with glycerol | Descriptor: | Aromatic acid chemoreceptor, CHLORIDE ION, GLYCEROL | Authors: | Gavira, J.A, Mantilla, M.A, Fernandez, M, Krell, T. | Deposit date: | 2019-06-18 | Release date: | 2020-10-21 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | The structural basis for signal promiscuity in a bacterial chemoreceptor. Febs J., 288, 2021
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6S4L
| Structure of human KCTD1 | Descriptor: | BTB/POZ domain-containing protein KCTD1, IODIDE ION, SODIUM ION | Authors: | Pinkas, D.M, Bufton, J.C, Fox, A.E, Pike, A.C.W, Newman, J.A, Krojer, T, Shrestha, L, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C, Edwards, A, Bountra, C, Bullock, A.N. | Deposit date: | 2019-06-28 | Release date: | 2020-07-15 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.42 Å) | Cite: | Structure of human KCTD1 To be published
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6S3B
| Ligand binding domain of the P. putida receptor PcaY_PP in complex with benzoate | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, Aromatic acid chemoreceptor, ... | Authors: | Gavira, J.A, Mantilla, M.A, Fernandez, M, Krell, T. | Deposit date: | 2019-06-24 | Release date: | 2020-10-21 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | The structural basis for signal promiscuity in a bacterial chemoreceptor. Febs J., 288, 2021
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6S1A
| Ligand binding domain of the P. putida receptor PcaY_PP | Descriptor: | Aromatic acid chemoreceptor, SULFATE ION | Authors: | Gavira, J.A, Matilla, M.A, Fernandez, M, Krell, T. | Deposit date: | 2019-06-18 | Release date: | 2020-10-21 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.112 Å) | Cite: | The structural basis for signal promiscuity in a bacterial chemoreceptor. Febs J., 288, 2021
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4ZN9
| Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in complex with Oxabicyclic Heptene Sulfonate (OBHS) | Descriptor: | Estrogen receptor, Nuclear receptor-interacting peptide, cyclohexa-2,5-dien-1-yl (1S,2R,4S)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate | Authors: | Nwachukwu, J.C, Srinivasan, S, Zheng, Y, Wang, S, Min, J, Dong, C, Liao, Z, Cavett, V, Nowak, J, Houtman, R, Carlson, K.E, Josan, J.S, Elemento, O, Katzenellenbogen, J.A, Zhou, H.B, Nettles, K.W. | Deposit date: | 2015-05-04 | Release date: | 2015-09-09 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.215 Å) | Cite: | Development of selective estrogen receptor modulator (SERM)-like activity through an indirect mechanism of estrogen receptor antagonism: defining the binding mode of 7-oxabicyclo[2.2.1]hept-5-ene scaffold core ligands. Chemmedchem, 7, 2012
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6SFC
| EED in complex with a methyl-thiazole | Descriptor: | CALCIUM ION, N-(1,3-benzodioxol-4-ylmethyl)-4-methyl-5-(1-methylpyrazol-3-yl)-1,3-thiazol-2-amine, N-(2,3-dihydro-1-benzofuran-4-ylmethyl)-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine, ... | Authors: | Read, J.A. | Deposit date: | 2019-08-01 | Release date: | 2019-09-25 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Rapid Identification of Novel Allosteric PRC2 Inhibitors. Acs Chem.Biol., 14, 2019
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6SJT
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2VYU
| CRYSTAL STRUCTURE OF CHOLINE BINDING PROTEIN F FROM STREPTOCOCCUS PNEUMONIAE IN THE PRESENCE OF A PEPTIDOGLYCAN ANALOGUE (TETRASACCHARIDE-PENTAPEPTIDE) | Descriptor: | CHOLINE BINDING PROTEIN F, CHOLINE ION | Authors: | Perez-Dorado, I, Molina, R, Hermoso, J.A, Mobashery, S. | Deposit date: | 2008-07-28 | Release date: | 2009-02-03 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Crystal Structure of Cbpf, a Bifunctional Choline-Binding Protein and Autolysis Regulator from Streptococcus Pneumoniae. Embo Rep., 10, 2009
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3DC8
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8C8D
| Crystal structure of human DNA cross-link repair 1A in complex with hydroxamic acid inhibitor (compound 44). | Descriptor: | (2~{R})-3-[6-chloranyl-2-(furan-2-ylmethylamino)quinazolin-4-yl]-2-methyl-~{N}-oxidanyl-propanamide, DNA cross-link repair 1A protein, ZINC ION | Authors: | Yosaatmadja, Y, Newman, J.A, Baddock, H.T, Bielinski, M, von Delft, F, Bountra, C, McHugh, P.J, Schofield, C.J, Gileadi, O. | Deposit date: | 2023-01-19 | Release date: | 2024-01-31 | Last modified: | 2024-09-11 | Method: | X-RAY DIFFRACTION (1.46 Å) | Cite: | Cell-active small molecule inhibitors validate the SNM1A DNA repair nuclease as a cancer target. Chem Sci, 15, 2024
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8CEW
| Crystal structure of human DNA cross-link repair 1A in complex with N-hydroxyimide inhibitor H1 | Descriptor: | 6-methoxy-2-oxidanyl-benzo[de]isoquinoline-1,3-dione, DIMETHYL SULFOXIDE, DNA cross-link repair 1A protein, ... | Authors: | Newman, J.A, Yosaatmadja, Y, Baddock, H.T, Bielinski, M, von Delft, F, Bountra, C, McHugh, P.J, Schofield, C.J, Gileadi, O. | Deposit date: | 2023-02-02 | Release date: | 2024-02-21 | Last modified: | 2024-09-11 | Method: | X-RAY DIFFRACTION (1.53 Å) | Cite: | Cell-active small molecule inhibitors validate the SNM1A DNA repair nuclease as a cancer target. Chem Sci, 15, 2024
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8CG9
| Crystal structure of human DNA cross-link repair 1A in complex with a cyclic N-hydroxyurea inhibitor | Descriptor: | 1-[(2S)-2,3-dihydro-1,4-benzodioxin-2-ylmethyl]-3-hydroxythieno[3,2-d]pyrimidine-2,4(1H,3H)-dione, 1-[[(3~{R})-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-oxidanyl-thieno[3,2-d]pyrimidine-2,4-dione, DNA cross-link repair 1A protein, ... | Authors: | Newman, J.A, Yosaatmadja, Y, Baddock, H.T, Bielinski, M, von Delft, F, Bountra, C, McHugh, P.J, Schofield, C.J, Gileadi, O. | Deposit date: | 2023-02-03 | Release date: | 2024-02-21 | Last modified: | 2024-09-11 | Method: | X-RAY DIFFRACTION (1.68 Å) | Cite: | Cell-active small molecule inhibitors validate the SNM1A DNA repair nuclease as a cancer target. Chem Sci, 15, 2024
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8CF0
| Crystal structure of human DNA cross-link repair 1A in complex with quinoxalinedione inhibitor H2 | Descriptor: | 9-chloranyl-1,4-dihydropyrazino[2,3-c]quinoline-2,3-dione, DIMETHYL SULFOXIDE, DNA cross-link repair 1A protein, ... | Authors: | Newman, J.A, Yosaatmadja, Y, Baddock, H.T, Bielinski, M, von Delft, F, Bountra, C, McHugh, P.J, Schofield, C.J, Gileadi, O. | Deposit date: | 2023-02-02 | Release date: | 2024-02-21 | Last modified: | 2024-09-11 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | Cell-active small molecule inhibitors validate the SNM1A DNA repair nuclease as a cancer target. Chem Sci, 15, 2024
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1EC9
| E. COLI GLUCARATE DEHYDRATASE BOUND TO XYLAROHYDROXAMATE | Descriptor: | GLUCARATE DEHYDRATASE, ISOPROPYL ALCOHOL, MAGNESIUM ION, ... | Authors: | Gulick, A.M, Hubbard, B.K, Gerlt, J.A, Rayment, I. | Deposit date: | 2000-01-25 | Release date: | 2000-05-23 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Evolution of enzymatic activities in the enolase superfamily: crystallographic and mutagenesis studies of the reaction catalyzed by D-glucarate dehydratase from Escherichia coli. Biochemistry, 39, 2000
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1SSP
| WILD-TYPE URACIL-DNA GLYCOSYLASE BOUND TO URACIL-CONTAINING DNA | Descriptor: | 5'-D(*AP*AP*AP*GP*AP*TP*AP*AP*CP*AP*G)-3', 5'-D(*CP*TP*GP*TP*(D1P)P*AP*TP*CP*TP*T)-3', URACIL, ... | Authors: | Parikh, S.S, Mol, C.D, Slupphaug, G, Bharati, S, Krokan, H.E, Tainer, J.A. | Deposit date: | 1999-04-28 | Release date: | 1999-05-06 | Last modified: | 2023-08-02 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Base excision repair initiation revealed by crystal structures and binding kinetics of human uracil-DNA glycosylase with DNA. EMBO J., 17, 1998
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3N3B
| Ribonucleotide Reductase Dimanganese(II)-NrdF from Escherichia coli in Complex with Reduced NrdI with a Trapped Peroxide | Descriptor: | FLAVIN MONONUCLEOTIDE, HYDROGEN PEROXIDE, MANGANESE (II) ION, ... | Authors: | Boal, A.K, Cotruvo Jr, J.A, Stubbe, J, Rosenzweig, A.C. | Deposit date: | 2010-05-19 | Release date: | 2010-08-18 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.36 Å) | Cite: | Structural basis for activation of class Ib ribonucleotide reductase. Science, 329, 2010
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3N39
| Ribonucleotide Reductase Dimanganese(II)-NrdF from Escherichia coli in Complex with NrdI | Descriptor: | FLAVIN MONONUCLEOTIDE, MANGANESE (II) ION, Protein nrdI, ... | Authors: | Boal, A.K, Cotruvo Jr, J.A, Stubbe, J, Rosenzweig, A.C. | Deposit date: | 2010-05-19 | Release date: | 2010-08-18 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural basis for activation of class Ib ribonucleotide reductase. Science, 329, 2010
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3N3A
| Ribonucleotide Reductase Dimanganese(II)-NrdF from Escherichia coli in Complex with Reduced NrdI | Descriptor: | FLAVIN MONONUCLEOTIDE, MANGANESE (II) ION, Protein nrdI, ... | Authors: | Boal, A.K, Cotruvo Jr, J.A, Stubbe, J, Rosenzweig, A.C. | Deposit date: | 2010-05-19 | Release date: | 2010-08-18 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Structural basis for activation of class Ib ribonucleotide reductase. Science, 329, 2010
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8DGG
| Structure of glycosylated LAG-3 homodimer | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Silberstein, J.L, Mathews, I.I, Frank, J.A, Chan, K.-W, Fernandez, D, Du, J, Wang, J, Kong, X.-P, Cochran, J.R. | Deposit date: | 2022-06-23 | Release date: | 2022-08-17 | Last modified: | 2024-08-07 | Method: | X-RAY DIFFRACTION (3.78 Å) | Cite: | Structural insights reveal interplay between LAG-3 homodimerization, ligand binding, and function. Proc.Natl.Acad.Sci.USA, 121, 2024
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