1X7B
 
 | | CRYSTAL STRUCTURE OF ESTROGEN RECEPTOR BETA COMPLEXED WITH ERB-041 | | Descriptor: | 2-(3-FLUORO-4-HYDROXYPHENYL)-7-VINYL-1,3-BENZOXAZOL-5-OL, Estrogen receptor beta, STEROID RECEPTOR COACTIVATOR-1 | | Authors: | Manas, E.S, Unwalla, R.J, Xu, Z.B, Malamas, M.S, Miller, C.P, Harris, H.A, Hsiao, C, Akopian, T, Hum, W.T, Malakian, K, Wolfrom, S, Bapat, A, Bhat, R.A, Stahl, M.L, Somers, W.S, Alvarez, J.C. | | Deposit date: | 2004-08-13 | | Release date: | 2005-03-01 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structure-Based Design of Estrogen Receptor-Beta Selective Ligands
J.Am.Chem.Soc., 126, 2004
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1XDB
 | | Crystal Structure of the Nitrogenase Fe protein Asp129Glu | | Descriptor: | IRON/SULFUR CLUSTER, Nitrogenase iron protein 1 | | Authors: | Jang, S.B, Jeong, M.S, Seefeldt, L.C, Peters, J.W. | | Deposit date: | 2004-09-05 | | Release date: | 2005-03-01 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structural and biochemical implications of single amino acid substitutions in the nucleotide-dependent switch regions of the nitrogenase Fe protein from Azotobacter vinelandii
J.Biol.Inorg.Chem., 9, 2004
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5X8Q
 | | Crystal Structure of the mutant Human ROR gamma Ligand Binding Domain With rockogenin. | | Descriptor: | (1R,2S,4S,5'R,6R,7S,8R,9S,10R,12S,13S,16S,18S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icosane-6,2'-oxane]-10,16-diol, Nuclear receptor ROR-gamma, Nuclear receptor corepressor 2 | | Authors: | Noguchi, M, Nomura, A, Murase, K, Doi, S, Yamaguchi, K, Adachi, T. | | Deposit date: | 2017-03-03 | | Release date: | 2017-06-07 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Ternary complex of human ROR gamma ligand-binding domain, inverse agonist and SMRT peptide shows a unique mechanism of corepressor recruitment
Genes Cells, 22, 2017
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4GVY
 | | Crystal structure of arginine kinase in complex with L-citrulline and MgADP | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Arginine kinase, CITRULLINE, ... | | Authors: | Clark, S.A, Davulcu, O, Chapman, M.S. | | Deposit date: | 2012-08-31 | | Release date: | 2012-10-03 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.091 Å) | | Cite: | Crystal structures of arginine kinase in complex with ADP, nitrate, and various phosphagen analogs.
Biochem.Biophys.Res.Commun., 427, 2012
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1XD9
 | | Crystal Structure of the Nitrogenase Fe protein Asp39Asn with MgADP bound | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, IRON/SULFUR CLUSTER, MAGNESIUM ION, ... | | Authors: | Jang, S.B, Jeong, M.S, Seefeldt, L.C, Peters, J.W. | | Deposit date: | 2004-09-05 | | Release date: | 2005-03-01 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structural and biochemical implications of single amino acid substitutions in the nucleotide-dependent switch regions of the nitrogenase Fe protein from Azotobacter vinelandii
J.Biol.Inorg.Chem., 9, 2004
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6DHP
 | | RT XFEL structure of the three-flash state of Photosystem II (3F, S0-rich) at 2.04 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: | Kern, J, Chatterjee, R, Young, I.D, Fuller, F.D, Lassalle, L, Ibrahim, M, Gul, S, Fransson, T, Brewster, A.S, Alonso-Mori, R, Hussein, R, Zhang, M, Douthit, L, de Lichtenberg, C, Cheah, M.H, Shevela, D, Wersig, J, Seufert, I, Sokaras, D, Pastor, E, Weninger, C, Kroll, T, Sierra, R.G, Aller, P, Butryn, A, Orville, A.M, Liang, M, Batyuk, A, Koglin, J.E, Carbajo, S, Boutet, S, Moriarty, N.W, Holton, J.M, Dobbek, H, Adams, P.D, Bergmann, U, Sauter, N.K, Zouni, A, Messinger, J, Yano, J, Yachandra, V.K. | | Deposit date: | 2018-05-20 | | Release date: | 2018-11-21 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.04 Å) | | Cite: | Structures of the intermediates of Kok's photosynthetic water oxidation clock.
Nature, 563, 2018
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3IXY
 | | The pseudo-atomic structure of dengue immature virus in complex with Fab fragments of the anti-fusion loop antibody E53 | | Descriptor: | E53 Fab Fragment (chain H), E53 Fab Fragment (chain L), Envelope protein E, ... | | Authors: | Cherrier, M.V, Kaufmann, B, Nybakken, G.E, Lok, S.M, Warren, J.T, Nelson, C.A, Kostyuchenko, V.A, Holdaway, H.A, Chipman, P.R, Kuhn, R.J, Diamond, M.S, Rossmann, M.G, Fremont, D.H. | | Deposit date: | 2009-02-26 | | Release date: | 2009-10-27 | | Last modified: | 2024-02-21 | | Method: | ELECTRON MICROSCOPY (23 Å) | | Cite: | Structural basis for the preferential recognition of immature flaviviruses by a fusion-loop antibody
Embo J., 28, 2009
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1XVQ
 | | Crystal structure of thiol peroxidase from Mycobacterium tuberculosis | | Descriptor: | AMMONIUM ION, YTTRIUM (III) ION, thiol peroxidase | | Authors: | Rho, B.S, Pedelacq, J.D, Hung, L.W, Holton, J.M, Vigil, D, Kim, S.I, Park, M.S, Terwilliger, T.C, TB Structural Genomics Consortium (TBSGC) | | Deposit date: | 2004-10-28 | | Release date: | 2004-12-07 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Functional and Structural Characterization of a Thiol Peroxidase from Mycobacterium tuberculosis.
J.Mol.Biol., 361, 2006
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1XW4
 | | Crystal Structure of Human Sulfiredoxin (Srx) in Complex with ADP | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Sulfiredoxin | | Authors: | Murray, M.S, Jonsson, T.J, Johnson, L.C, Poole, L.B, Lowther, W.T. | | Deposit date: | 2004-10-29 | | Release date: | 2005-05-24 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural basis for the retroreduction of inactivated peroxiredoxins by human sulfiredoxin.
Biochemistry, 44, 2005
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6CGY
 | | Structure of the Quorum Quenching lactonase from Alicyclobacillus acidoterrestris bound to a phosphate anion | | Descriptor: | 1,2-ETHANEDIOL, Beta-lactamase, COBALT (II) ION, ... | | Authors: | Bergonzi, C, Schwab, M, Naik, T, Daude, D, Chabriere, E, Elias, M. | | Deposit date: | 2018-02-21 | | Release date: | 2018-08-15 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Structural and Biochemical Characterization of AaL, a Quorum Quenching Lactonase with Unusual Kinetic Properties.
Sci Rep, 8, 2018
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4EWR
 | | X-ray structure of WDR5-SETd1a Win motif peptide binary complex | | Descriptor: | Histone-lysine N-methyltransferase SETD1A, WD repeat-containing protein 5 | | Authors: | Dharmarajan, V, Lee, J.-H, Patel, A, Skalnik, D.G, Cosgrove, M.S. | | Deposit date: | 2012-04-27 | | Release date: | 2012-05-30 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.503 Å) | | Cite: | Structural basis for WDR5 interaction (Win) motif recognition in human SET1 family histone methyltransferases.
J.Biol.Chem., 287, 2012
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6CHN
 | | Phosphopantetheine adenylyltransferase (CoaD) in complex with methyl (R)-4-(3-(2-cyano-1-((5-methyl-7-oxo-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)amino)ethyl)phenoxy)piperidine-1-carboxylate | | Descriptor: | DI(HYDROXYETHYL)ETHER, Phosphopantetheine adenylyltransferase, SULFATE ION, ... | | Authors: | Mamo, M, Appleton, B.A. | | Deposit date: | 2018-02-22 | | Release date: | 2018-04-04 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.03 Å) | | Cite: | Discovery and Optimization of Phosphopantetheine Adenylyltransferase Inhibitors with Gram-Negative Antibacterial Activity.
J. Med. Chem., 61, 2018
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5BRF
 | | Crystal structure of Trypanosoma cruzi glucokinase in complex with inhibitor HPOP-GlcN | | Descriptor: | 2-deoxy-2-{[3-(4-hydroxyphenyl)propanoyl]amino}-alpha-D-glucopyranose, Glucokinase 1, putative | | Authors: | D'Antonio, E.L, Perry, K, Deinema, M.S, Kearns, S.P, Frey, T.A. | | Deposit date: | 2015-05-30 | | Release date: | 2015-06-17 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.102 Å) | | Cite: | Structure-based approach to the identification of a novel group of selective glucosamine analogue inhibitors of Trypanosoma cruzi glucokinase.
Mol.Biochem.Parasitol., 204, 2016
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5LCB
 | | In situ atomic-resolution structure of the baseplate antenna complex in Chlorobaculum tepidum obtained combining solid-state NMR spectroscopy, cryo electron microscopy and polarization spectroscopy | | Descriptor: | BACTERIOCHLOROPHYLL A, Bacteriochlorophyll c-binding protein | | Authors: | Nielsen, J.T, Kulminskaya, N.V, Bjerring, M, Linnanto, J.M, Ratsep, M, Pedersen, M, Lambrev, P.H, Dorogi, M, Garab, G, Thomsen, K, Jegerschold, C, Frigaard, N.U, Lindahl, M, Nielsen, N.C. | | Deposit date: | 2016-06-20 | | Release date: | 2016-07-27 | | Last modified: | 2023-09-13 | | Method: | ELECTRON MICROSCOPY (26.5 Å), SOLID-STATE NMR | | Cite: | In situ high-resolution structure of the baseplate antenna complex in Chlorobaculum tepidum.
Nat Commun, 7, 2016
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4E8W
 | | Crystal Structure of Burkholderia cenocepacia HldA in Complex with an ATP-competitive Inhibitor | | Descriptor: | D-beta-D-heptose 7-phosphate kinase, POTASSIUM ION, {[2-({[5-(2,6-dimethoxyphenyl)-1,2,4-triazin-3-yl]amino}methyl)-1,3-benzothiazol-5-yl]oxy}acetic acid | | Authors: | Lee, T.-W, Verhey, T.B, Junop, M.S. | | Deposit date: | 2012-03-20 | | Release date: | 2012-12-26 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.8654 Å) | | Cite: | Structural-functional studies of Burkholderia cenocepacia D-glycero-beta-D-manno-heptose 7-phosphate kinase (HldA) and characterization of inhibitors with antibiotic adjuvant and antivirulence properties.
J.Med.Chem., 56, 2013
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4E8Z
 | | Crystal Structure of Burkholderia cenocepacia HldA in Complex with an ATP-competitive Inhibitor | | Descriptor: | D-beta-D-heptose 7-phosphate kinase, POTASSIUM ION, {[2-({[5-(2,6-dichlorophenyl)-1,2,4-triazin-3-yl]amino}methyl)-1,3-benzothiazol-5-yl]oxy}acetic acid | | Authors: | Lee, T.-W, Verhey, T.B, Junop, M.S. | | Deposit date: | 2012-03-20 | | Release date: | 2012-12-26 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (3.05 Å) | | Cite: | Structural-functional studies of Burkholderia cenocepacia D-glycero-beta-D-manno-heptose 7-phosphate kinase (HldA) and characterization of inhibitors with antibiotic adjuvant and antivirulence properties.
J.Med.Chem., 56, 2013
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6CHO
 | | Phosphopantetheine adenylyltransferase (CoaD) in complex with (R)-2-((1-(3-(4-methoxyphenoxy)phenyl)ethyl)amino)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one | | Descriptor: | 2-({(1R)-1-[3-(4-methoxyphenoxy)phenyl]ethyl}amino)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(6H)-one, Phosphopantetheine adenylyltransferase, SULFATE ION, ... | | Authors: | Mamo, M, Appleton, B.A. | | Deposit date: | 2018-02-22 | | Release date: | 2018-04-04 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Discovery and Optimization of Phosphopantetheine Adenylyltransferase Inhibitors with Gram-Negative Antibacterial Activity.
J. Med. Chem., 61, 2018
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5M6U
 | | HUMAN PI3KDELTA IN COMPLEX WITH LASW1579 | | Descriptor: | 4-azanyl-6-[[(1~{S})-1-(4-oxidanylidene-3-phenyl-pyrrolo[2,1-f][1,2,4]triazin-2-yl)ethyl]amino]pyrimidine-5-carbonitrile, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | | Authors: | Segarra, V, Hernandez, B, Lozoya, E, Blaesse, M, Hoeppner, S, Jestel, A. | | Deposit date: | 2016-10-26 | | Release date: | 2017-02-01 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | Discovery of a Potent, Selective, and Orally Available PI3K delta Inhibitor for the Treatment of Inflammatory Diseases.
ACS Med Chem Lett, 8, 2017
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6CKW
 | | Phosphopantetheine adenylyltransferase (CoaD) in complex with (R)-3-((7-(((S)-2-amino-2-(2-methoxyphenyl)ethyl)amino)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)amino)-3-(3-chlorophenyl)propanenitrile | | Descriptor: | (3R)-3-[(7-{[(2S)-2-amino-2-(2-methoxyphenyl)ethyl]amino}-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)amino]-3-(3-chlorophenyl)propanenitrile, DIMETHYL SULFOXIDE, Phosphopantetheine adenylyltransferase, ... | | Authors: | Mamo, M, Appleton, B.A. | | Deposit date: | 2018-03-01 | | Release date: | 2018-04-04 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.06 Å) | | Cite: | Discovery and Optimization of Phosphopantetheine Adenylyltransferase Inhibitors with Gram-Negative Antibacterial Activity.
J. Med. Chem., 61, 2018
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5BRH
 | | Crystal structure of Trypanosoma cruzi glucokinase in complex with inhibitor DBT-GlcN | | Descriptor: | 2-deoxy-2-({[(1,1-dioxido-1-benzothiophen-2-yl)methoxy]carbonyl}amino)-beta-D-glucopyranose, Glucokinase 1, putative | | Authors: | D'Antonio, E.L, Perry, K, Deinema, M.S, Kearns, S.P, Frey, T.A. | | Deposit date: | 2015-05-30 | | Release date: | 2015-06-17 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structure-based approach to the identification of a novel group of selective glucosamine analogue inhibitors of Trypanosoma cruzi glucokinase.
Mol.Biochem.Parasitol., 204, 2016
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6CEC
 | | Crystal structure of fragment 3-(3-Methoxy-2-quinoxalinyl)propanoic acid bound in the ubiquitin binding pocket of the HDAC6 zinc-finger domain | | Descriptor: | 3-(3-methoxyquinoxalin-2-yl)propanoic acid, Histone deacetylase 6, UNKNOWN ATOM OR ION, ... | | Authors: | Harding, R.J, Halabelian, L, Ferreira de Freitas, R, Franzoni, I, Ravichandran, M, Lautens, M, Santhakumar, V, Schapira, M, Bountra, C, Edwards, A.M, Arrowsmith, C.M, Structural Genomics Consortium (SGC) | | Deposit date: | 2018-02-11 | | Release date: | 2018-02-28 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Identification and Structure-Activity Relationship of HDAC6 Zinc-Finger Ubiquitin Binding Domain Inhibitors.
J. Med. Chem., 61, 2018
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6D2L
 | | Crystal structure of human CARM1 with (S)-SKI-72 | | Descriptor: | (2S,5S)-2-amino-6-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]-5-[(benzylamino)methyl]-N-[2-(4-hydroxyphenyl)ethyl]hexanamide, GLYCEROL, Histone-arginine methyltransferase CARM1, ... | | Authors: | DONG, A, ZENG, H, WALKER, J.R, Hutchinson, A, Seitova, A, LUO, M, CAI, X.C, KE, W, WANG, J, SHI, C, ZHENG, W, LEE, J.P, IBANEZ, G, Bountra, C, Arrowsmith, C.H, Edwards, A.M, BROWN, P.J, WU, H, Structural Genomics Consortium (SGC) | | Deposit date: | 2018-04-13 | | Release date: | 2018-05-23 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | A chemical probe of CARM1 alters epigenetic plasticity against breast cancer cell invasion.
Elife, 8, 2019
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4EPP
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4ERY
 | | X-ray structure of WDR5-MLL3 Win motif peptide binary complex | | Descriptor: | Histone-lysine N-methyltransferase MLL3, WD repeat-containing protein 5 | | Authors: | Dharmarajan, V, Lee, J.-H, Patel, A, Skalnik, D.G, Cosgrove, M.S. | | Deposit date: | 2012-04-21 | | Release date: | 2012-05-16 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Structural basis for WDR5 interaction (Win) motif recognition in human SET1 family histone methyltransferases.
J.Biol.Chem., 287, 2012
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4ESG
 | | X-ray structure of WDR5-MLL1 Win motif peptide binary complex | | Descriptor: | Histone-lysine N-methyltransferase MLL, WD repeat-containing protein 5 | | Authors: | Dharmarajan, V, Lee, J.-H, Patel, A, Skalnik, D.G, Cosgrove, M.S. | | Deposit date: | 2012-04-23 | | Release date: | 2012-05-30 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structural basis for WDR5 interaction (Win) motif recognition in human SET1 family histone methyltransferases.
J.Biol.Chem., 287, 2012
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