6DHF
 
 | | RT XFEL structure of the one-flash state of Photosystem II (1F, S2-rich) at 2.08 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: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.08 Å) | | Cite: | Structures of the intermediates of Kok's photosynthetic water oxidation clock.
Nature, 563, 2018
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7YRT
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6FI1
 | | Crystal structure of human BAZ2B PHD zinc finger in complex with Fr23 | | Descriptor: | Bromodomain adjacent to zinc finger domain protein 2B, ZINC ION, ~{N}-(4-aminophenyl)-2-azanyl-ethanamide | | Authors: | Amato, A, Lucas, X, Bortoluzzi, A, Wright, D, Ciulli, A. | | Deposit date: | 2018-01-16 | | Release date: | 2018-03-21 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Targeting Ligandable Pockets on Plant Homeodomain (PHD) Zinc Finger Domains by a Fragment-Based Approach.
ACS Chem. Biol., 13, 2018
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2NV7
 | | Crystal Structure of Estrogen Receptor Beta Complexed with WAY-555 | | Descriptor: | 4-(4-HYDROXYPHENYL)-1-NAPHTHALDEHYDE OXIME, Estrogen receptor beta, Nuclear receptor coactivator 1 | | Authors: | Mewshaw, R.E, Bowen, M.S, Harris, H.A, Xu, Z.B, Manas, E.S, Cohn, S.T, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 2006-11-10 | | Release date: | 2007-08-21 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | ERbeta ligands. Part 5: synthesis and structure-activity relationships of a series of 4'-hydroxyphenyl-aryl-carbaldehyde oxime derivatives.
Bioorg.Med.Chem.Lett., 17, 2007
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5YVA
 | | Structure of CaMKK2 in complex with CKI-010 | | Descriptor: | 3-(1H-tetrazol-5-yl)-10lambda~6~-thioxanthene-9,10,10-trione, CHLORIDE ION, Calcium/calmodulin-dependent protein kinase kinase 2, ... | | Authors: | Niwa, H, Handa, N, Yokoyama, S. | | Deposit date: | 2017-11-24 | | Release date: | 2018-12-05 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.574 Å) | | Cite: | Protein ligand interaction analysis against new CaMKK2 inhibitors by use of X-ray crystallography and the fragment molecular orbital (FMO) method.
J.Mol.Graph.Model., 99, 2020
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4PDK
 | | FadR, Fatty Acid Responsive Transcription Factor from Vibrio cholerae, in Complex with oleoyl-CoA | | Descriptor: | Fatty acid metabolism regulator protein, S-{(3R,5R,9R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl} (9Z)-octadec-9-enethioate (non-preferred name) | | Authors: | Shi, W, Kull, F.J. | | Deposit date: | 2014-04-19 | | Release date: | 2015-02-18 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | The 40-residue insertion in Vibrio cholerae FadR facilitates binding of an additional fatty acyl-CoA ligand.
Nat Commun, 6, 2015
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4PFT
 | | Crystal structure of mannobiose bound oligopeptide ABC transporter, periplasmic oligopeptide-binding protein (TM1223) from THERMOTOGA MARITIMA at 1.75 A resolution | | Descriptor: | ABC transporter substrate-binding protein, MAGNESIUM ION, NITRATE ION, ... | | Authors: | Lu, X, Ghimire-Rijal, S, Cuneo, M.J. | | Deposit date: | 2014-04-30 | | Release date: | 2014-09-17 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.747 Å) | | Cite: | Duplication of Genes in an ATP-binding Cassette Transport System Increases Dynamic Range While Maintaining Ligand Specificity.
J.Biol.Chem., 289, 2014
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6UJS
 | | P-glycoprotein mutant-F728A and C952A-with BDE100 | | Descriptor: | 2,4-dibromophenyl 2,4,6-tribromophenyl ether, ATP-dependent translocase ABCB1 | | Authors: | Aller, S.G, Le, C.A. | | Deposit date: | 2019-10-03 | | Release date: | 2020-05-27 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (4.17 Å) | | Cite: | Structural definition of polyspecific compensatory ligand recognition by P-glycoprotein.
Iucrj, 7, 2020
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6UJN
 | | P-glycoprotein mutant-C952A-with BDE100 | | Descriptor: | 2,4-dibromophenyl 2,4,6-tribromophenyl ether, ATP-dependent translocase ABCB1 | | Authors: | Aller, S.G, Le, C.A. | | Deposit date: | 2019-10-03 | | Release date: | 2020-05-27 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (3.98 Å) | | Cite: | Structural definition of polyspecific compensatory ligand recognition by P-glycoprotein.
Iucrj, 7, 2020
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4RUS
 | | Carp Fishelectin, holo form | | Descriptor: | 2-acetamido-2-deoxy-alpha-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Capaldi, S, Faggion, B, Carrizo, M.E, Destefanis, L, Gonzalez, M.C, Perduca, M, Bovi, M, Galliano, M, Monaco, H.L. | | Deposit date: | 2014-11-21 | | Release date: | 2015-04-08 | | Last modified: | 2024-11-27 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Three-dimensional structure and ligand-binding site of carp fishelectin (FEL).
Acta Crystallogr.,Sect.D, 71, 2015
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8CQ1
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7NA0
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9AXG
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9AVS
 | | Human alpha-galactosidase A in complex with saposin B | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Alpha-galactosidase A, ... | | Authors: | Sawyer, T.K, Garman, S.C. | | Deposit date: | 2024-03-04 | | Release date: | 2024-04-17 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (3.53 Å) | | Cite: | Human Saposin B Ligand Binding and Presentation to alpha-Galactosidase A.
Biorxiv, 2024
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6A1Y
 | | Charcot-Leyden crystal protein/Galectin-10 variant Y35A | | Descriptor: | Galectin-10 | | Authors: | Su, J. | | Deposit date: | 2018-06-08 | | Release date: | 2018-12-26 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.63 Å) | | Cite: | Identification of key amino acid residues determining ligand binding specificity, homodimerization and cellular distribution of human galectin-10
Glycobiology, 29, 2019
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5WB7
 | | Crystal structure of the epidermal growth factor receptor extracellular region in complex with epiregulin | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Epidermal growth factor receptor, ... | | Authors: | Freed, D.M, Bessman, N.J, Ferguson, K.M, Lemmon, M.A. | | Deposit date: | 2017-06-28 | | Release date: | 2017-10-18 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2.941 Å) | | Cite: | EGFR Ligands Differentially Stabilize Receptor Dimers to Specify Signaling Kinetics.
Cell, 171, 2017
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1O8P
 | | Unbound structure of CsCBM6-3 from Clostridium stercorarium | | Descriptor: | CALCIUM ION, PUTATUVE ENDO-XYLANASE | | Authors: | Boraston, A.B, Notenboom, V, Warren, R.A.J, Kilbrun, D.G, Rose, D.R, Davies, G.J. | | Deposit date: | 2002-11-28 | | Release date: | 2003-03-13 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure and ligand binding of carbohydrate-binding module CsCBM6-3 reveals similarities with fucose-specific lectins and "galactose-binding" domains.
J. Mol. Biol., 327, 2003
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4C8W
 | | Xenopus RSPO2 Fu1-Fu2 crystal form II | | Descriptor: | R-SPONDIN-2 | | Authors: | Zebisch, M, Jones, E.Y. | | Deposit date: | 2013-10-01 | | Release date: | 2013-11-20 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Structural and Molecular Basis of Znrf3/Rnf43 Transmembrane Ubiquitin Ligase Inhibition by the Wnt Agonist R-Spondin.
Nat.Commun., 4, 2013
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5BK1
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6DE9
 | | mitoNEET bound to furosemide | | Descriptor: | 5-(AMINOSULFONYL)-4-CHLORO-2-[(2-FURYLMETHYL)AMINO]BENZOIC ACID, CDGSH iron-sulfur domain-containing protein 1, FE2/S2 (INORGANIC) CLUSTER | | Authors: | Robart, A.R, Geldenhuys, W.J. | | Deposit date: | 2018-05-11 | | Release date: | 2019-05-15 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Crystal structure of the mitochondrial protein mitoNEET bound to a benze-sulfonide ligand.
Commun Chem, 2, 2019
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6A1V
 | | Charcot-Leyden crystal protein/Galectin-10 variant E33Q | | Descriptor: | Galectin-10 | | Authors: | Su, J. | | Deposit date: | 2018-06-08 | | Release date: | 2018-12-26 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.984 Å) | | Cite: | Identification of key amino acid residues determining ligand binding specificity, homodimerization and cellular distribution of human galectin-10
Glycobiology, 29, 2019
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2QW4
 | | Human NR4A1 ligand-binding domain | | Descriptor: | Orphan nuclear receptor NR4A1 | | Authors: | Min, J.R, Schuetz, A, Loppnau, P, Weigelt, J, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Plotnikov, A.N, Structural Genomics Consortium (SGC) | | Deposit date: | 2007-08-09 | | Release date: | 2007-08-21 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Crystal Structure of Human Nr4A1 Ligand-Binding Domain
To be Published
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1GLN
 | | ARCHITECTURES OF CLASS-DEFINING AND SPECIFIC DOMAINS OF GLUTAMYL-TRNA SYNTHETASE | | Descriptor: | GLUTAMYL-TRNA SYNTHETASE | | Authors: | Nureki, O, Vassylyev, D.G, Katayanagi, K, Shimizu, T, Sekine, S, Kigawa, T, Miyazawa, T, Yokoyama, S, Morikawa, K, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 1994-07-20 | | Release date: | 1995-10-15 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Architectures of class-defining and specific domains of glutamyl-tRNA synthetase.
Science, 267, 1995
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3ZV3
 | | CRYSTAL STRUCTURE OF CIS-BIPHENYL-2,3-DIHYDRODIOL-2,3-DEHYDROGENASE (BPHB)FROM PANDORAEA PNOMENUSA STRAIN B-356 IN INTERMEDIATE STATE OF SUBSTRATE BINDING LOOP | | Descriptor: | CIS-2,3-DIHYDROBIPHENYL-2,3-DIOL DEHYDROGENASE | | Authors: | Dhindwal, S, Patil, D.N, Kumar, P. | | Deposit date: | 2011-07-23 | | Release date: | 2011-08-31 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Biochemical Studies and Ligand-Bound Structures of Biphenyl Dehydrogenase from Pandoraea Pnomenusa Strain B-356 Reveal a Basis for Broad Specificity of the Enzyme.
J.Biol.Chem., 286, 2011
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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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