2YLY
| Sulfonamides as selective Estrogen Receptor beta Agonists. | Descriptor: | ESTROGEN RECEPTOR BETA, N-cyclopropyl-4-oxidanyl-N-[(2R)-2-oxidanyl-2-phenyl-propyl]benzenesulfonamide, SULFATE ION | Authors: | Roberts, L.R, Armour, D, Barker, C, Bazin, R, Bess, K, Brown, A, Favor, D, Ellis, D, MacKenny, M, Pullen, N, Stennett, A, Strand, L, Styles, M, Phillips, C. | Deposit date: | 2011-06-06 | Release date: | 2012-06-13 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Sulfonamides as Selective Oestrogen Receptor Beta Agonists. Bioorg.Med.Chem.Lett., 21, 2011
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5FTM
| Cryo-EM structure of human p97 bound to ATPgS (Conformation II) | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, ... | Authors: | Banerjee, S, Bartesaghi, A, Merk, A, Rao, P, Bulfer, S.L, Yan, Y, Green, N, Mroczkowski, B, Neitz, R.J, Wipf, P, Falconieri, V, Deshaies, R.J, Milne, J.L.S, Huryn, D, Arkin, M, Subramaniam, S. | Deposit date: | 2016-01-14 | Release date: | 2016-01-27 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | 2.3 A Resolution Cryo-Em Structure of Human P97 and Mechanism of Allosteric Inhibition Science, 351, 2016
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1VYZ
| Structure of CDK2 complexed with PNU-181227 | Descriptor: | CELL DIVISION PROTEIN KINASE 2, N-(5-CYCLOPROPYL-1H-PYRAZOL-3-YL)BENZAMIDE | Authors: | Pevarello, P, Brasca, M.G, Amici, R, Orsini, P, Traquandi, G, Corti, L, Piutti, C, Sansonna, P, Villa, M, Pierce, B.S, Pulici, M, Giordano, G, Martina, K, Lfritzen, E, Nugent, R.A, Casale, E, Cameron, A, Ciomei, M, Roletto, F, Isacchi, A, Fogliatto, G, Pesenti, E, Pastori, W, Marsiglio, W, Leach, K.L, Clare, P.M, Fiorentini, F, Varasi, M, Vulpetti, A, Warpehoski, M.A. | Deposit date: | 2004-05-07 | Release date: | 2004-06-17 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.21 Å) | Cite: | 3-Aminopyrazole Inhibitors of Cdk2/Cyclin a as Antitumor Agents. 1. Lead Finding J.Med.Chem., 47, 2004
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5JGH
| Crystal structure of the mitochondrial DNA packaging protein Abf2p in complex with DNA at 2.6 Angstrom resolution | Descriptor: | ACETATE ION, ARS-binding factor 2, mitochondrial, ... | Authors: | Chakraborty, A, Lyonnais, S, Sola, M. | Deposit date: | 2016-04-20 | Release date: | 2017-02-08 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | DNA structure directs positioning of the mitochondrial genome packaging protein Abf2p. Nucleic Acids Res., 45, 2017
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6B7E
| Crystal structure of E.coli Phosphopantetheine Adenylyltransferase (PPAT/CoaD) in complex with (R)-4-(5-(difluoromethyl)-1H-imidazol-1-yl)-3,3-dimethylisochroman-1-one | Descriptor: | (4R)-4-[5-(difluoromethyl)-1H-imidazol-1-yl]-3,3-dimethyl-3,4-dihydro-1H-2-benzopyran-1-one, DIMETHYL SULFOXIDE, Phosphopantetheine adenylyltransferase, ... | Authors: | Proudfoot, A.W, Bussiere, D, Lingel, A. | Deposit date: | 2017-10-03 | Release date: | 2017-12-27 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.104 Å) | Cite: | High-Confidence Protein-Ligand Complex Modeling by NMR-Guided Docking Enables Early Hit Optimization. J. Am. Chem. Soc., 139, 2017
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2BDD
| Crystal Structure of Holo-ACP-synthase from Plasmodium yoelii | Descriptor: | ACP-synthase | Authors: | Dong, A, Melone, M, Zhao, Y, Lew, J, Koeieradzki, I, Alam, Z, Wasney, G, Vedadi, M, Edwards, A.M, Arrowsmith, C.H, Weigelt, J, Sundstrom, M, Bochkarev, A, Hui, R, Amani, M, Structural Genomics Consortium (SGC) | Deposit date: | 2005-10-20 | Release date: | 2005-11-01 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.28 Å) | Cite: | Genome-scale protein expression and structural biology of Plasmodium falciparum and related Apicomplexan organisms. Mol.Biochem.Parasitol., 151, 2007
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1YSP
| Crystal structure of the C-terminal domain of E. coli transcriptional regulator KdgR. | Descriptor: | SULFATE ION, Transcriptional regulator kdgR | Authors: | Bochkarev, A, Lunin, V.V, Ezersky, A, Evdokimova, E, Skarina, T, Xu, X, Borek, D, Joachimiak, A, Savchenko, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2005-02-08 | Release date: | 2005-03-22 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural study of effector binding specificity in IclR transcriptional regulators To be Published
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5EFS
| The crystal structure of human kynurenine aminotransferase II | Descriptor: | Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial | Authors: | Nematollahi, A, Sun, G, Kwan, A, Harrop, S.J, Hanrahan, J.R, Nadvi, N.A, Church, W.B. | Deposit date: | 2015-10-26 | Release date: | 2015-11-11 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.82503 Å) | Cite: | The crystal structure of human kynurenine aminotransferase II To Be Published
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3N6W
| Crystal structure of human gamma-butyrobetaine hydroxylase | Descriptor: | Gamma-butyrobetaine dioxygenase, SULFATE ION, ZINC ION | Authors: | Rumnieks, J, Zeltins, A, Leonchiks, A, Kazaks, A, Kotelovica, S, Tars, K. | Deposit date: | 2010-05-26 | Release date: | 2010-07-21 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structure of human gamma-butyrobetaine hydroxylase. Biochem.Biophys.Res.Commun., 398, 2010
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5EGO
| HOXB13-MEIS1 heterodimer bound to methylated DNA | Descriptor: | DNA (5'-D(*CP*CP*TP*(5CM)P*GP*TP*AP*AP*AP*AP*CP*TP*GP*TP*CP*AP*AP*C)-3'), DNA (5'-D(P*GP*TP*TP*GP*AP*CP*AP*GP*TP*TP*TP*TP*AP*(5CM)P*GP*AP*GP*G)-3'), Homeobox protein Hox-B13, ... | Authors: | Morgunova, E, Yin, Y, Jolma, A, Popov, A, Taipale, J. | Deposit date: | 2015-10-27 | Release date: | 2016-11-09 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.54 Å) | Cite: | Impact of cytosine methylation on DNA binding specificities of human transcription factors. Science, 356, 2017
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5M2W
| Structure of nanobody nb18 raised against TssK from E. coli T6SS | Descriptor: | Llama nanobody nb8 against TssK from T6SS, SULFATE ION | Authors: | Cambillau, C, Nguyen, V.S, Spinelli, S, Desmyter, A. | Deposit date: | 2016-10-13 | Release date: | 2017-06-28 | Last modified: | 2017-08-30 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Type VI secretion TssK baseplate protein exhibits structural similarity with phage receptor-binding proteins and evolved to bind the membrane complex. Nat Microbiol, 2, 2017
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8CX9
| Structure of the SARS-COV2 PLpro (C111S) in complex with a dimeric Ubv that inhibits activity by an unusual allosteric mechanism | Descriptor: | BROMIDE ION, CHLORIDE ION, Papain-like protease nsp3, ... | Authors: | Singer, A.U, Slater, C.L, Patel, A, Russel, R, Mark, B.L, Sidhu, S.S. | Deposit date: | 2022-05-20 | Release date: | 2023-01-25 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Ubiquitin variants potently inhibit SARS-CoV-2 PLpro and viral replication via a novel site distal to the protease active site. Plos Pathog., 18, 2022
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5ENF
| Crystal structure of the second bromodomain of Pleckstrin homology domain interacting protein (PHIP) in complex with fragment-4 N10142 (SGC - Diamond I04-1 fragment screening) | Descriptor: | 1,2-ETHANEDIOL, 5-azanyl-2-(2-methylpropyl)-1,3-oxazole-4-carbonitrile, PH-interacting protein | Authors: | Krojer, T, Talon, R, Collins, P, Bradley, A, Cox, O, Amin, J, Szykowska, A, Burgess-Brown, N, Spencer, J, Brennan, P, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F, Structural Genomics Consortium (SGC) | Deposit date: | 2015-11-09 | Release date: | 2016-04-27 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.37 Å) | Cite: | A poised fragment library enables rapid synthetic expansion yielding the first reported inhibitors of PHIP(2), an atypical bromodomain. Chem Sci, 7, 2016
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3MTY
| Comparison of the character and the speed of X-ray-induced structural changes of porcine pancreatic elastase at two temperatures, 100 and 15K. The data set was collected from region A of the crystal. First step of radiation damage | Descriptor: | Chymotrypsin-like elastase family member 1, SODIUM ION, SULFATE ION | Authors: | Petrova, T, Ginell, S, Mitschler, A, Cousido-Siah, A, Hazemann, I, Podjarny, A, Joachimiak, A. | Deposit date: | 2010-05-01 | Release date: | 2010-05-12 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.101 Å) | Cite: | X-ray-induced deterioration of disulfide bridges at atomic resolution. Acta Crystallogr.,Sect.D, 66, 2010
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6B7F
| Crystal structure of E.coli Phosphopantetheine Adenylyltransferase (PPAT/CoaD) in complex with (R)-3,3-dimethyl-4-(5-vinyl-1H-imidazol-1-yl)isochroman-1-one | Descriptor: | (4R)-4-(5-ethenyl-1H-imidazol-1-yl)-3,3-dimethyl-3,4-dihydro-1H-2-benzopyran-1-one, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DIMETHYL SULFOXIDE, ... | Authors: | Proudfoot, A.W, Bussiere, D, Lingel, A. | Deposit date: | 2017-10-03 | Release date: | 2017-12-27 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.562 Å) | Cite: | High-Confidence Protein-Ligand Complex Modeling by NMR-Guided Docking Enables Early Hit Optimization. J. Am. Chem. Soc., 139, 2017
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5EF6
| Structure of HOXB13 complex with methylated DNA | Descriptor: | DNA (5'-D(P*GP*GP*AP*CP*CP*TP*(5CM)P*GP*TP*AP*AP*AP*AP*CP*AP*CP*AP*A)-3'), DNA (5'-D(P*TP*TP*GP*TP*GP*TP*TP*TP*TP*AP*(5CM)P*GP*AP*GP*GP*TP*CP*C)-3'), Homeobox protein Hox-B13 | Authors: | Morgunova, E, Yin, Y, Jolma, A, Popov, A, Taipale, J. | Deposit date: | 2015-10-23 | Release date: | 2017-02-08 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Impact of cytosine methylation on DNA binding specificities of human transcription factors. Science, 356, 2017
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4E3E
| CRYSTAL STRUCTURE OF putative MaoC domain protein dehydratase from Chloroflexus aurantiacus J-10-fl | Descriptor: | MaoC domain protein dehydratase, SULFATE ION | Authors: | Malashkevich, V.N, Bhosle, R, Toro, R, Hillerich, B, Gizzi, A, Garforth, S, Kar, A, Chan, M.K, Lafluer, J, Patel, H, Matikainen, B, Chamala, S, Lim, S, Celikgil, A, Villegas, G, Evans, B, Zenchek, W, Love, J, Fiser, A, Khafizov, K, Seidel, R, Bonanno, J.B, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC) | Deposit date: | 2012-03-09 | Release date: | 2012-03-21 | Last modified: | 2012-05-02 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | CRYSTAL STRUCTURE OF putative MaoC domain protein dehydratase from Chloroflexus aurantiacus J-10-fl To be Published
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6ZS9
| Human mitochondrial ribosome in complex with ribosome recycling factor | Descriptor: | 12S rRNA, 16S rRNA, 28S ribosomal protein S10, ... | Authors: | Aibara, S, Singh, V, Modelska, A, Amunts, A. | Deposit date: | 2020-07-15 | Release date: | 2020-10-14 | Last modified: | 2024-07-10 | Method: | ELECTRON MICROSCOPY (4 Å) | Cite: | Structural basis of mitochondrial translation. Elife, 9, 2020
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1YXO
| Crystal Structure of pyridoxal phosphate biosynthetic protein PdxA PA0593 | Descriptor: | 4-hydroxythreonine-4-phosphate dehydrogenase 1, ETHANOL, MAGNESIUM ION | Authors: | Liu, Y, Xu, X, Dong, A, Kudritskam, M, Savchenko, A, Pai, E.F, Joachimiak, A, Edwards, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2005-02-22 | Release date: | 2005-04-05 | Last modified: | 2011-10-05 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Crystal Structure of pyridoxal phosphate biosynthetic protein PdxA PA0593 To be Published
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3JW1
| Crystal Structure of Bovine Pancreatic Ribonuclease Complexed with Uridine-5'-monophosphate at 1.60 A Resolution | Descriptor: | Ribonuclease pancreatic, URIDINE-5'-MONOPHOSPHATE | Authors: | Larson, S.B, Day, J.S, Nguyen, C, Cudney, R, Mcpherson, A, Center for High-Throughput Structural Biology (CHTSB) | Deposit date: | 2009-09-17 | Release date: | 2009-10-06 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structure of bovine pancreatic ribonuclease complexed with uridine 5'-monophosphate at 1.60 A resolution. Acta Crystallogr.,Sect.F, 66, 2010
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3N3T
| Crystal structure of putative diguanylate cyclase/phosphodiesterase complex with cyclic di-gmp | Descriptor: | 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), CHLORIDE ION, MAGNESIUM ION, ... | Authors: | Chang, C, Xu, X, Cui, H, Savchenko, A, Edwards, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2010-05-20 | Release date: | 2010-06-16 | Last modified: | 2017-11-08 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Structural insight into the mechanism of c-di-GMP hydrolysis by EAL domain phosphodiesterases. J.Mol.Biol., 402, 2010
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8PF5
| Crystal structure of Trypanosoma brucei trypanothione reductase in complex with 1-(3,4-dichlorobenzyl)-4-(((5-((4-fluorophenethyl)carbamoyl)furan-2-yl)methyl)carbamoyl)-1-(3-phenylpropyl)piperazin-1-ium | Descriptor: | 4-[(3,4-dichlorophenyl)methyl]-~{N}-[[5-[2-(4-fluorophenyl)ethylcarbamoyl]furan-2-yl]methyl]-4-(3-phenylpropyl)-1,4$l^{4}-diazinane-1-carboxamide, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ... | Authors: | Exertier, C, Antonelli, L, Fiorillo, A, Ilari, A. | Deposit date: | 2023-06-15 | Release date: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.42 Å) | Cite: | Fragment Merging, Growing, and Linking Identify New Trypanothione Reductase Inhibitors for Leishmaniasis. J.Med.Chem., 67, 2024
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5EG0
| HOXB13-MEIS1 heterodimer bound to DNA | Descriptor: | DNA (5'-D(*CP*CP*TP*CP*GP*TP*AP*AP*AP*AP*CP*TP*GP*TP*CP*AP*AP*C)-3'), DNA (5'-D(P*GP*TP*TP*GP*AP*CP*AP*GP*TP*TP*TP*TP*AP*CP*GP*AP*GP*G)-3'), Homeobox protein Hox-B13, ... | Authors: | Morgunova, E, Yin, Y, Jolma, A, Popov, A, Taipale, J. | Deposit date: | 2015-10-26 | Release date: | 2016-11-09 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (3.101 Å) | Cite: | Molecular basis of recognition of two distinct DNA sequences by a single transcription factor To Be Published
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8PF3
| Crystal structure of Trypanosoma brucei trypanothione reductase in complex with 1-(3,4-dichlorobenzyl)-4-(((5-((4-fluorophenethyl)carbamoyl)furan-2-yl)methyl)(4-fluorophenyl)carbamoyl)-1-(3-phenylpropyl)piperazin-1-ium | Descriptor: | 4-[(3,4-dichlorophenyl)methyl]-~{N}-(4-fluorophenyl)-~{N}-[[5-[2-(4-fluorophenyl)ethylcarbamoyl]furan-2-yl]methyl]-4-(3-phenylpropyl)-1,4$l^{4}-diazinane-1-carboxamide, DI(HYDROXYETHYL)ETHER, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Exertier, C, Ilari, A, Fiorillo, A, Antonelli, L. | Deposit date: | 2023-06-15 | Release date: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Fragment Merging, Growing, and Linking Identify New Trypanothione Reductase Inhibitors for Leishmaniasis. J.Med.Chem., 67, 2024
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7ZVW
| NuA4 Histone Acetyltransferase Complex | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Actin, Chromatin modification-related protein EAF1, ... | Authors: | Schultz, P, Ben-Shem, A, Frechard, A. | Deposit date: | 2022-05-17 | Release date: | 2023-05-31 | Last modified: | 2023-09-20 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | The structure of the NuA4-Tip60 complex reveals the mechanism and importance of long-range chromatin modification. Nat.Struct.Mol.Biol., 30, 2023
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