4W9D
 
 | | pVHL:EloB:EloC in complex with (2S,4R)-1-(3,3-dimethylbutanoyl)-4-hydroxy-N-(4-(4-methyloxazol-5-yl)benzyl)pyrrolidine-2-carboxamide (ligand 3) | | Descriptor: | (4R)-1-(3,3-dimethylbutanoyl)-4-hydroxy-N-[4-(4-methyl-1,3-oxazol-5-yl)benzyl]-L-prolinamide, Transcription elongation factor B polypeptide 1, Transcription elongation factor B polypeptide 2, ... | | Authors: | Gadd, M.S, Hewitt, S, Galdeano, C, van Molle, I, Ciulli, A. | | Deposit date: | 2014-08-27 | | Release date: | 2014-09-10 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structure-Guided Design and Optimization of Small Molecules Targeting the Protein-Protein Interaction between the von Hippel-Lindau (VHL) E3 Ubiquitin Ligase and the Hypoxia Inducible Factor (HIF) Alpha Subunit with in Vitro Nanomolar Affinities.
J.Med.Chem., 57, 2014
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5DGK
 | | SCCmec type IV Cch - active helicase | | Descriptor: | Active helicase, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER | | Authors: | Rice, P.A, Mir-Sanchis, I. | | Deposit date: | 2015-08-27 | | Release date: | 2016-08-24 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.895 Å) | | Cite: | Staphylococcal SCCmec elements encode an active MCM-like helicase and thus may be replicative.
Nat.Struct.Mol.Biol., 23, 2016
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4V98
 | | The 8S snRNP Assembly Intermediate | | Descriptor: | CG10419, Icln, LD23602p, ... | | Authors: | Grimm, C, Pelz, J.P, Schindelin, H, Diederichs, K, Kuper, J, Kisker, C. | | Deposit date: | 2012-05-15 | | Release date: | 2014-07-09 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Structural Basis of Assembly Chaperone- Mediated snRNP Formation.
Mol.Cell, 49, 2013
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7R2A
 | | Crystal structure of Ta_Cel5A Y200F variant, apoform | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, EGI, SULFATE ION | | Authors: | Dutoit, R. | | Deposit date: | 2022-02-04 | | Release date: | 2023-02-15 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Crystal structure of Ta_Cel5A Y200F variant, apoform
To Be Published
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5DH5
 | | PDE10 complexed with N-[(1-methylpyrazol-4-yl)methyl]-5-[[(1S,2S)-2-(2-pyridyl)cyclopropyl]methoxy]pyrazolo[1,5-a]pyrimidin-7-amine | | Descriptor: | MAGNESIUM ION, N-[(1-methyl-1H-pyrazol-4-yl)methyl]-5-{[(1S,2S)-2-(pyridin-2-yl)cyclopropyl]methoxy}pyrazolo[1,5-a]pyrimidin-7-amine, ZINC ION, ... | | Authors: | Yan, Y. | | Deposit date: | 2015-08-29 | | Release date: | 2016-01-27 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Discovery of pyrazolopyrimidine phosphodiesterase 10A inhibitors for the treatment of schizophrenia.
Bioorg.Med.Chem.Lett., 26, 2016
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5DER
 | | RNA oligonucleotide containing (R)-C5'-ME-2'F U | | Descriptor: | RNA oligonucleotide containing (R)-C5'-Me-2'-FU | | Authors: | Harp, J.M, Egli, M. | | Deposit date: | 2015-08-25 | | Release date: | 2016-06-29 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural Basis of Duplex Thermodynamic Stability and Enhanced Nuclease Resistance of 5'-C-Methyl Pyrimidine-Modified Oligonucleotides.
J.Org.Chem., 81, 2016
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7R2Z
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4W9O
 | | The Fk1 domain of FKBP51 in complex with (1S,5S,6R)-10-[(3,5-dichlorophenyl)sulfonyl]-5-[(1R)-1,2-dihydroxyethyl]-3-[2-(3,4-dimethoxyphenoxy)ethyl]-3,10-diazabicyclo[4.3.1]decan-2-one | | Descriptor: | (1S,5S,6R)-10-[(3,5-dichlorophenyl)sulfonyl]-5-[(1R)-1,2-dihydroxyethyl]-3-[2-(3,4-dimethoxyphenoxy)ethyl]-3,10-diazabicyclo[4.3.1]decan-2-one, ACETATE ION, Peptidyl-prolyl cis-trans isomerase FKBP5 | | Authors: | Pomplun, S, Wang, Y, Kirschner, K, Kozany, C, Bracher, A, Hausch, F. | | Deposit date: | 2014-08-27 | | Release date: | 2014-12-03 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.27 Å) | | Cite: | Rational Design and Asymmetric Synthesis of Potent and Neurotrophic Ligands for FK506-Binding Proteins (FKBPs).
Angew.Chem.Int.Ed.Engl., 54, 2015
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4W9Z
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7R32
 | | Carbon regulatory PII-like protein SbtB from Synechocystis sp. 6803, delta104 variant, in complex with ADP (co-crystal), tetragonal crystal form | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Membrane-associated protein slr1513 | | Authors: | Selim, K.A, Albrecht, R, Hartmann, M.D. | | Deposit date: | 2022-02-06 | | Release date: | 2023-02-15 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Carbon signaling protein SbtB possesses atypical redox-regulated apyrase activity to facilitate regulation of bicarbonate transporter SbtA.
Proc.Natl.Acad.Sci.USA, 120, 2023
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5DHF
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7R1J
 | | Crystal structure of a flavodiiron protein S262Y mutant in the reduced state from Escherichia coli | | Descriptor: | Anaerobic nitric oxide reductase flavorubredoxin, FE (III) ION, FLAVIN MONONUCLEOTIDE, ... | | Authors: | Borges, P.T, Teixeira, M, Romao, C.V, Frazao, C. | | Deposit date: | 2022-02-03 | | Release date: | 2023-02-15 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.901 Å) | | Cite: | Crystal structure of a flavodiiron protein S262Y mutant in the reduced state from Escherichia coli
To Be Published
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5CQB
 | | Crystal structure of E. coli undecaprenyl pyrophosphate synthase | | Descriptor: | Ditrans,polycis-undecaprenyl-diphosphate synthase ((2E,6E)-farnesyl-diphosphate specific), TRIETHYLENE GLYCOL | | Authors: | Worrall, L.J, Conrady, D.G, Strynadka, N.C. | | Deposit date: | 2015-07-21 | | Release date: | 2015-08-19 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Antagonism screen for inhibitors of bacterial cell wall biogenesis uncovers an inhibitor of undecaprenyl diphosphate synthase.
Proc.Natl.Acad.Sci.USA, 112, 2015
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5CQN
 | | GTB mutant without mercury - E303C | | Descriptor: | Histo-blood group ABO system transferase | | Authors: | Gagnon, S.M.L, Blackler, R.J. | | Deposit date: | 2015-07-22 | | Release date: | 2016-10-26 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.61 Å) | | Cite: | Glycosyltransfer in mutants of putative catalytic residue Glu303 of the human ABO(H) A and B blood group glycosyltransferases GTA and GTB proceeds through a labile active site.
Glycobiology, 27, 2017
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7R28
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7R2P
 | | Crystal structure of a flavodiiron protein D52K/S262Y mutant in the oxidized state from Escherichia coli | | Descriptor: | Anaerobic nitric oxide reductase flavorubredoxin, FE (III) ION, FLAVIN MONONUCLEOTIDE, ... | | Authors: | Borges, P.T, Teixeira, M, Romao, C.V, Frazao, C. | | Deposit date: | 2022-02-05 | | Release date: | 2023-02-15 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.538 Å) | | Cite: | Crystal structure of a flavodiiron protein D52K/S262Y mutant in the oxidized state from Escherichia coli
To Be Published
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8RBS
 | | Emiliania huxleyi virus 201 (EhV-201) asymmetrical unit of capsid proteins predicted by AlphaFold2 fitted into the cryo-EM density of EhV-201 virion composite map. | | Descriptor: | Major capsid protein, Penton protein | | Authors: | Homola, M, Buttner, C.R, Fuzik, T, Novacek, J, Chaillet, M, Forster, F, Plevka, P. | | Deposit date: | 2023-12-04 | | Release date: | 2023-12-20 | | Last modified: | 2024-04-24 | | Method: | ELECTRON MICROSCOPY (18 Å) | | Cite: | Structure and replication cycle of a virus infecting climate-modulating alga Emiliania huxleyi.
Sci Adv, 10, 2024
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7R2X
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5CQT
 | | Crystal Structure of the first bromodomain of human BRD4 in complex with benzo[cd]indol-2(1H)-one ligand | | Descriptor: | Bromodomain-containing protein 4, N-cyclohexyl-1-ethyl-2-oxo-1,2-dihydrobenzo[cd]indole-6-sulfonamide | | Authors: | Zhang, Y, Song, M, Liu, Z, Xue, X, Xu, Y. | | Deposit date: | 2015-07-22 | | Release date: | 2016-01-13 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Discovery of Benzo[cd]indol-2(1H)-ones as Potent and Specific BET Bromodomain Inhibitors: Structure-Based Virtual Screening, Optimization, and Biological Evaluation
J.Med.Chem., 59, 2016
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8RBT
 | | Emiliania huxleyi virus 201 (EhV-201) capsid proteins predicted by AlphaFold2 fitted into a cryo-EM density map of the EhV-201 virion capsid. | | Descriptor: | Major capsid protein, Penton protein | | Authors: | Homola, M, Buttner, C.R, Fuzik, T, Novacek, J, Chaillet, M, Forster, F, Plevka, P. | | Deposit date: | 2023-12-04 | | Release date: | 2023-12-20 | | Last modified: | 2024-04-24 | | Method: | ELECTRON MICROSCOPY (12 Å) | | Cite: | Structure and replication cycle of a virus infecting climate-modulating alga Emiliania huxleyi.
Sci Adv, 10, 2024
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5DIE
 | | Crystal Structure of the ER-alpha Ligand-binding Domain in complex with a trifluoro-substituted A-CD ring estrogen derivative (1S,3aR,5S,7aS)-7a-methyl-5-(2,3,5-trifluoro-4-hydroxyphenyl)octahydro-1H-inden-1-ol | | Descriptor: | (1S,3aR,5S,7aS)-7a-methyl-5-(2,3,5-trifluoro-4-hydroxyphenyl)octahydro-1H-inden-1-ol, Estrogen receptor, Nuclear receptor coactivator 2 | | 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: | 2015-08-31 | | Release date: | 2016-05-04 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.24 Å) | | Cite: | Predictive features of ligand-specific signaling through the estrogen receptor.
Mol.Syst.Biol., 12, 2016
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7R0F
 | | Crystal structure of a flavodiiron protein D52K mutant in the oxidized state from Escherichia coli | | Descriptor: | Anaerobic nitric oxide reductase flavorubredoxin, FE (III) ION, FLAVIN MONONUCLEOTIDE, ... | | Authors: | Borges, P.T, Teixeira, M, Romao, C.V, Frazao, C. | | Deposit date: | 2022-02-02 | | Release date: | 2023-02-15 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.978 Å) | | Cite: | Crystal structure of a flavodiiron protein D52K mutant in the oxidized state from Escherichia coli
To Be Published
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5CTB
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7R2O
 | | Crystal structure of a flavodiiron protein S262Y mutant in the oxidized state from Escherichia coli | | Descriptor: | Anaerobic nitric oxide reductase flavorubredoxin, FLAVIN MONONUCLEOTIDE, GLYCEROL, ... | | Authors: | Borges, P.T, Teixeira, M, Romao, C.V, Frazao, C. | | Deposit date: | 2022-02-05 | | Release date: | 2023-02-15 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Crystal structure of a flavodiiron protein S262Y mutant in the oxidized state from Escherichia coli
To Be Published
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5CUB
 | | Crystal structure of the bromodomain of bromodomain adjacent to zinc finger domain protein 2B (BAZ2B) in complex with 314268-40-1 (SGC - Diamond I04-1 fragment screening) | | Descriptor: | 1,2-ETHANEDIOL, Bromodomain adjacent to zinc finger domain protein 2B, methyl 4-[(4-methylpiperazin-1-yl)methyl]benzoate | | Authors: | Bradley, A, Pearce, N, Krojer, T, Ng, J, Talon, R, Vollmar, M, Jose, B, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2015-07-24 | | Release date: | 2015-09-09 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystal structure of the second bromodomain of bromodomain adjancent to zinc finger domain protein 2B (BAZ2B) in complex with 314268-40-1 (SGC - Diamond I04-1 fragment screening)
To be published
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