2OKT
| Crystal structure of O-succinylbenzoic acid synthetase from Staphylococcus aureus, ligand-free form | Descriptor: | O-succinylbenzoic acid synthetase | Authors: | Patskovsky, Y, Toro, R, Malashkevich, V, Sauder, J.M, Ozyurt, S, Smith, D, Dickey, M, Maletic, M, Powell, A, Gheyi, T, Wasserman, S.R, Gerlt, J, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | Deposit date: | 2007-01-17 | Release date: | 2007-01-30 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Loss of quaternary structure is associated with rapid sequence divergence in the OSBS family. Proc.Natl.Acad.Sci.USA, 111, 2014
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7U9I
| Co-crystal structure of human CARM1 in complex with MT556 inhibitor | Descriptor: | 7-[5-S-(4-{[(4-ethylpyridin-3-yl)methyl]amino}butyl)-5-thio-beta-D-ribofuranosyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine, Histone-arginine methyltransferase CARM1, UNKNOWN ATOM OR ION | Authors: | Zeng, H, Perveen, S, Dong, A, Hutchinson, A, Seitova, A, Gibson, E, Hajian, T, Li, Y, Gao, Y.D, Schneider, S, Siliphaivanh, P, Sloman, D, Nicholson, B, Fischer, C, Hicks, J, Vedadi, M, Brown, P.J, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC) | Deposit date: | 2022-03-10 | Release date: | 2023-01-18 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Co-crystal structure of human CARM1 in complex with MT556 inhibitor To Be Published
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6VIU
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1W0T
| hTRF1 DNA-binding domain in complex with telomeric DNA. | Descriptor: | 5'-D(*CP*TP*GP*TP*TP*AP*GP*GP*GP*TP *TP*AP*GP*GP*GP*TP*TP*AP*G)-3', 5'-D(*TP*CP*TP*AP*AP*CP*CP*CP*TP*AP *AP*CP*CP*CP*TP*AP*AP*CP*A)-3', TELOMERIC REPEAT BINDING FACTOR 1 | Authors: | Court, R.I, Chapman, L.M, Fairall, L, Rhodes, D. | Deposit date: | 2004-06-11 | Release date: | 2004-12-22 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | How the Human Telomeric Proteins Trf1 and Trf2 Recognize Telomeric DNA: A View from High-Resolution Crystal Structures Embo Rep., 6, 2005
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6VON
| Chloroplast ATP synthase (R1, CF1FO) | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP synthase delta chain, ... | Authors: | Yang, J.-H, Williams, D, Kandiah, E, Fromme, P, Chiu, P.-L. | Deposit date: | 2020-01-30 | Release date: | 2020-09-09 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (3.35 Å) | Cite: | Structural basis of redox modulation on chloroplast ATP synthase. Commun Biol, 3, 2020
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6TDF
| Crystal structure of Aspergillus fumigatus Glucosamine-6-phosphate N-acetyltransferase 1 in complex with compound 3 | Descriptor: | 2-[[3,5-bis(chloranyl)-4-(4~{H}-1,2,4-triazol-3-yl)phenyl]-(2-hydroxyethyl)amino]ethanol, 6-O-phosphono-alpha-D-glucopyranose, ACETYL COENZYME *A, ... | Authors: | Raimi, O.G, Stanley, M, Lockhart, D. | Deposit date: | 2019-11-08 | Release date: | 2020-04-29 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Targeting a critical step in fungal hexosamine biosynthesis. J.Biol.Chem., 295, 2020
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1W5W
| HIV-1 protease in complex with fluoro substituted diol-based C2- symmetric inhibitor | Descriptor: | (2R,3R,4R,5R)-2,5-BIS[(2,4-DIFLUOROBENZYL)OXY]-3,4-DIHYDROXY-N,N'-BIS[(1R,2S)-2-HYDROXY-2,3-DIHYDRO-1H-INDEN-1-YL]HEXAN EDIAMIDE, POL POLYPROTEIN | Authors: | Lindberg, J, Pyring, D, Loewgren, S, Rosenquist, A, Zuccarello, G, Kvarnstroem, I, Zhang, H, Vrang, L, Claesson, B, Hallberg, A, Samuelsson, B, Unge, T. | Deposit date: | 2004-08-10 | Release date: | 2004-12-22 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Symmetric Fluoro-Substituted Diol-Based HIV Protease Inhibitors. Ortho-Fluorinated and Meta-Fluorinated P1/P1'-Benzyloxy Side Groups Significantly Improve the Antiviral Activity and Preserve Binding Efficacy Eur.J.Biochem., 271, 2004
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3ZRD
| Oxidised Thiol peroxidase (Tpx) from Yersinia pseudotuberculosis | Descriptor: | THIOL PEROXIDASE | Authors: | Gabrielsen, M, Zetterstrom, C.E, Wang, D, Elofsson, M, Roe, A.J. | Deposit date: | 2011-06-15 | Release date: | 2012-03-14 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | Structural Characterisation of Tpx from Yersinia Pseudotuberculosis Reveals Insights Into the Binding of Salicylidene Acylhydrazide Compounds. Plos One, 7, 2012
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1W6U
| Structure of human DECR ternary complex | Descriptor: | 2,4-DIENOYL-COA REDUCTASE, MITOCHONDRIAL PRECURSOR, HEXANOYL-COENZYME A, ... | Authors: | Alphey, M.S, Byres, E, Li, D, Hunter, W.N. | Deposit date: | 2004-08-24 | Release date: | 2004-10-28 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structure and Reactivity of Human Mitochondrial 2,4-Dienoyl-Coa Reductase: Enzyme-Ligand Interactions in a Distinctive Short-Chain Reductase Active Site J.Biol.Chem., 280, 2005
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1VZI
| Structure of superoxide reductase bound to ferrocyanide and active site expansion upon X-ray induced photoreduction | Descriptor: | CALCIUM ION, CHLORIDE ION, DESULFOFERRODOXIN, ... | Authors: | Adam, V, Royant, A, Niviere, V, Molina-Heredia, F.P, Bourgeois, D. | Deposit date: | 2004-05-19 | Release date: | 2004-08-27 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.15 Å) | Cite: | Structure of superoxide reductase bound to ferrocyanide and active site expansion upon X-ray-induced photo-reduction. Structure, 12, 2004
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1VZS
| Solution structure of subunit F6 from the peripheral stalk region of ATP synthase from bovine heart mitochondria | Descriptor: | ATP SYNTHASE COUPLING FACTOR 6, MITOCHONDRIAL PRECURSOR | Authors: | Carbajo, R.J, Silvester, J.A, Runswick, M.J, Walker, J.E, Neuhaus, D. | Deposit date: | 2004-05-25 | Release date: | 2004-09-02 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Solution Structure of Subunit F(6) from the Peripheral Stalk Region of ATP Synthase from Bovine Heart Mitochondria J.Mol.Biol., 342, 2004
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4R80
| Crystal Structure of a De Novo Designed Beta Sheet Protein, Cystatin Fold, Northeast Structural Genomics Consortium (NESG) Target OR486 | Descriptor: | OR486 | Authors: | Guan, R, Marcos, E, O'Connell, P, Seetharaman, J, Janjua, H, Xiao, R, Maglaqui, M, Acton, T.B, Everett, J.K, Baker, D, Montelione, G.T, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2014-08-29 | Release date: | 2014-09-24 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.445 Å) | Cite: | Crystal Structure of an engineered protein with denovo beta sheet design, Northeast Structural Genomics Consortium (NESG) Target OR486 To be Published
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3ZZJ
| Structure of an engineered aspartate aminotransferase | Descriptor: | ASPARTATE AMINOTRANSFERASE, BETA-MERCAPTOETHANOL, DI(HYDROXYETHYL)ETHER, ... | Authors: | Fernandez, F.J, deVries, D, Pena-Soler, E, Coll, M, Christen, P, Gehring, H, Vega, M.C. | Deposit date: | 2011-09-01 | Release date: | 2011-12-28 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structure and Mechanism of a Cysteine Sulfinate Desulfinase Engineered on the Aspartate Aminotransferase Scaffold. Biocim.Biophys.Acta, 1824, 2011
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6W8E
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6W8U
| Cryo-EM of the Pyrobaculum arsenaticum pilus | Descriptor: | pilin | Authors: | Wang, F, Baquero, D.P, Su, Z, Beltran, L.C, Prangishvili, D, Krupovic, M, Egelman, E.H. | Deposit date: | 2020-03-21 | Release date: | 2020-07-08 | Last modified: | 2021-10-06 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | The structures of two archaeal type IV pili illuminate evolutionary relationships. Nat Commun, 11, 2020
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6TGU
| Crystal structure of human protein kinase CK2alpha'(CSNK2A2 gene product) in complex with the 2-aminothiazole-type inhibitor Cl-OH-3 | Descriptor: | 1,2-ETHANEDIOL, 4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]-2-oxidanyl-benzoic acid, Casein kinase II subunit alpha' | Authors: | Niefind, K, Lindenblatt, D, Jose, J, Applegate, V.M, Nickelsen, A. | Deposit date: | 2019-11-18 | Release date: | 2020-07-08 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (0.833 Å) | Cite: | Structural and Mechanistic Basis of the Inhibitory Potency of Selected 2-Aminothiazole Compounds on Protein Kinase CK2. J.Med.Chem., 63, 2020
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1XYV
| Low Temperature (100K) Crystal Structure Of Flavodoxin Mutant S64C, monomer, semiquinone state | Descriptor: | FLAVIN MONONUCLEOTIDE, FLAVODOXIN | Authors: | Artali, R, Marchini, N, Meneghetti, F, Cavazzini, D, Bombieri, G, Rossi, G.L, Gilardi, G. | Deposit date: | 2004-11-11 | Release date: | 2004-12-07 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Redox properties and crystal structures of a Desulfovibrio vulgaris flavodoxin mutant in the monomeric and homodimeric forms. Biochim.Biophys.Acta, 1794, 2009
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6W1U
| RT XFEL structure of Photosystem II 400 microseconds after the second illumination at 2.09 Angstrom resolution | Descriptor: | 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ... | Authors: | Ibrahim, M, Fransson, T, Chatterjee, R, Cheah, M.H, Hussein, R, Lassalle, L, Sutherlin, K.D, Young, I.D, Fuller, F.D, Gul, S, Kim, I.-S, Simon, P.S, de Lichtenberg, C, Chernev, P, Bogacz, I, Pham, C, Orville, A.M, Saichek, N, Northen, T.R, Batyuk, A, Carbajo, S, Alonso-Mori, R, Tono, K, Owada, S, Bhowmick, A, Bolotovski, R, Mendez, D, Moriarty, N.W, Holton, J.M, Dobbek, H, Brewster, A.S, Adams, P.D, Sauter, N.K, Bergmann, U, Zouni, A, Messinger, J, Kern, J, Yachandra, V.K, Yano, J. | Deposit date: | 2020-03-04 | Release date: | 2020-05-20 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | Untangling the sequence of events during the S2→ S3transition in photosystem II and implications for the water oxidation mechanism. Proc.Natl.Acad.Sci.USA, 117, 2020
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6W3F
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6W40
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1XCK
| Crystal structure of apo GroEL | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 60 kDa chaperonin, DI(HYDROXYETHYL)ETHER, ... | Authors: | Bartolucci, C, Lamba, D, Grazulis, S, Manakova, E, Heumann, H. | Deposit date: | 2004-09-02 | Release date: | 2005-10-25 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.92 Å) | Cite: | Crystal structure of wild-type chaperonin GroEL J.Mol.Biol., 354, 2005
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6VZ6
| Methanococcoides burtonii cytochrome b5 domain protein (WP 011499504.1) | Descriptor: | Cytochrome b5-domain protein, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Teakel, S.L, Forwood, J.K, Aragao, D, Cahill, M.A, Marama, M. | Deposit date: | 2020-02-27 | Release date: | 2020-03-11 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Methanococcoides burtonii cytochrome b5 domain protein (WP 011499504.1) To Be Published
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1X6M
| Crystal structure of the glutathione-dependent formaldehyde-activating enzyme (Gfa) | Descriptor: | GLYCEROL, Glutathione-dependent formaldehyde-activating enzyme, SULFATE ION, ... | Authors: | Neculai, A.M, Neculai, D, Vorholt, J.A, Becker, S. | Deposit date: | 2004-08-11 | Release date: | 2004-11-23 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | A dynamic zinc redox switch J.Biol.Chem., 280, 2005
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1XGI
| AmpC beta-lactamase in complex with 3-(3-nitro-phenylsulfamoyl)-thiophene-2-carboxylic acid | Descriptor: | 3-{[(3-NITROANILINE]SULFONYL}THIOPHENE-2-CARBOXYLIC ACID, Beta-lactamase | Authors: | Tondi, D, Morandi, F, Bonnet, R, Costi, M.P, Shoichet, B.K. | Deposit date: | 2004-09-17 | Release date: | 2005-05-03 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Structure-based optimization of a non-beta-lactam lead results in inhibitors that do not up-regulate beta-lactamase expression in cell culture. J.Am.Chem.Soc., 127, 2005
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1XH9
| Crystal Structures of Protein Kinase B Selective Inhibitors in Complex with Protein Kinase A and Mutants | Descriptor: | (R,R)-2,3-BUTANEDIOL, N-[4-({4-[5-(DIMETHYLAMINO)-2-HYDROXYBENZOYL]BENZOYL}AMINO)AZEPAN-3-YL]ISONICOTINAMIDE, cAMP-dependent protein kinase inhibitor, ... | Authors: | Breitenlechner, C.B, Friebe, W.-G, Brunet, E, Werner, G, Graul, K, Thomas, U, Kuenkele, K.-P, Schaefer, W, Gassel, M, Bossemeyer, D, Huber, R, Engh, R.A, Masjost, B. | Deposit date: | 2004-09-17 | Release date: | 2005-09-17 | Last modified: | 2024-06-26 | Method: | X-RAY DIFFRACTION (1.64 Å) | Cite: | Design and crystal structures of protein kinase B-selective inhibitors in complex with protein kinase A and mutants J.Med.Chem., 48, 2005
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