2BTP
| 14-3-3 Protein Theta (Human) Complexed to Peptide | Descriptor: | 14-3-3 PROTEIN TAU, CONSENSUS PEPTIDE FOR 14-3-3 PROTEINS | Authors: | Elkins, J.M, Johansson, A.C.E, Smee, C, Yang, X, Sundstrom, M, Edwards, A, Arrowsmith, C, Doyle, D.A, Structural Genomics Consortium (SGC) | Deposit date: | 2005-06-05 | Release date: | 2005-06-28 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural Basis for Protein-Protein Interactions in the 14-3-3 Protein Family. Proc.Natl.Acad.Sci.USA, 103, 2006
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5FTH
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5IA0
| Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with alisertib (MLN8237) | Descriptor: | 1,2-ETHANEDIOL, Ephrin type-A receptor 2, alisertib | Authors: | Kudlinzki, D, Linhard, V.L, Gande, S.L, Sreeramulu, S, Saxena, K, Heinzlmeir, S, Medard, G, Kuester, B, Schwalbe, H. | Deposit date: | 2016-02-21 | Release date: | 2016-11-09 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.948 Å) | Cite: | Chemical Proteomics and Structural Biology Define EPHA2 Inhibition by Clinical Kinase Drugs. ACS Chem. Biol., 11, 2016
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4Y6G
| Crystal structure of Tryptophan Synthase from Salmonella typhimurium in complex with N-(4'-trifluoromethoxybenzoyl)-2-amino-1-ethylphosphate (F6F) inhibitor in the alpha-site and beta-site. | Descriptor: | 2-{[4-(TRIFLUOROMETHOXY)BENZOYL]AMINO}ETHYL DIHYDROGEN PHOSPHATE, PYRIDOXAL-5'-PHOSPHATE, SODIUM ION, ... | Authors: | Hilario, E, Caulkins, B.G, Young, R.P, Dunn, M.F, Mueller, L.J, Fan, L. | Deposit date: | 2015-02-13 | Release date: | 2016-02-10 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Visualizing the tunnel in tryptophan synthase with crystallography: Insights into a selective filter for accommodating indole and rejecting water. Biochim.Biophys.Acta, 1864, 2016
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2Z4B
| Estrogen receptor beta ligand-binding domain complexed to a benzopyran ligand | Descriptor: | (3AS,4R,9BR)-2,2-DIFLUORO-4-(4-HYDROXYPHENYL)-1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN-8-OL, Estrogen receptor beta | Authors: | Wang, Y. | Deposit date: | 2007-06-14 | Release date: | 2007-08-07 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.34 Å) | Cite: | Benzopyrans as selective estrogen receptor beta agonists (SERBAs). Part 3: Synthesis of cyclopentanone and cyclohexanone intermediates for C-ring modification. Bioorg.Med.Chem.Lett., 17, 2007
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5HCV
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4GDL
| Crystal Structure of Human Atg12~Atg5 Conjugate in Complex with an N-terminal Fragment of Atg16L1 | Descriptor: | Autophagy protein 5, Autophagy-related protein 16-1, SODIUM ION, ... | Authors: | Otomo, C, Metlagel, Z, Takaesu, G, Otomo, T. | Deposit date: | 2012-07-31 | Release date: | 2012-12-05 | Last modified: | 2017-11-15 | Method: | X-RAY DIFFRACTION (2.875 Å) | Cite: | Structure of the human ATG12~ATG5 conjugate required for LC3 lipidation in autophagy. Nat.Struct.Mol.Biol., 20, 2013
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6B1K
| Macrophage Migration Inhibitory Factor in Complex with a Naphthyridinone Inhibitor (3a) | Descriptor: | 2-[1-(4-hydroxyphenyl)-1H-1,2,3-triazol-4-yl]-7-methyl-1,7-naphthyridin-8(7H)-one, GLYCEROL, Macrophage migration inhibitory factor, ... | Authors: | Krimmer, S.G, Robertson, M.J, Jorgensen, W.L. | Deposit date: | 2017-09-18 | Release date: | 2018-01-03 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.17 Å) | Cite: | Adding a Hydrogen Bond May Not Help: Naphthyridinone vs Quinoline Inhibitors of Macrophage Migration Inhibitory Factor. ACS Med Chem Lett, 8, 2017
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1WS7
| Crystal Structure of Mavicyanin from Cucurbita pepo medullosa (Zucchini) | Descriptor: | COPPER (I) ION, Mavicyanin | Authors: | Xie, Y, Inoue, T, Miyamoto, Y, Matsumura, H, Kataoka, K, Yamaguchi, K, Nojini, M, Suzuki, S, Kai, Y. | Deposit date: | 2004-11-02 | Release date: | 2004-11-23 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural reorganization of the copper binding site involving Thr15 of mavicyanin from Cucurbita pepo medullosa (zucchini) upon reduction. J.Biochem.(Tokyo), 137, 2005
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6B9L
| Crystal structure of EphA2 with peptide 135E2 | Descriptor: | Ephrin type-A receptor 2, HIS TAG CLEAVED OFF, peptide 135E2, ... | Authors: | Song, J, Tan, X. | Deposit date: | 2017-10-10 | Release date: | 2018-10-17 | Last modified: | 2024-07-10 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Structure-Based Design of Novel EphA2 Agonistic Agents with Nanomolar Affinity in Vitro and in Cell. ACS Chem. Biol., 13, 2018
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2RFB
| Crystal Structure of a Cytochrome P450 from the Thermoacidophilic Archaeon Picrophilus Torridus | Descriptor: | Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION | Authors: | Ho, W.W, Li, H, Poulos, T.L, Nishida, C.R, Ortiz de Montellano, P.R. | Deposit date: | 2007-09-28 | Release date: | 2008-01-29 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal Structure and Properties of CYP231A2 from the Thermoacidophilic Archaeon Picrophilus torridus. Biochemistry, 47, 2008
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3SHB
| Crystal Structure of PHD Domain of UHRF1 | Descriptor: | E3 ubiquitin-protein ligase UHRF1, Histone H3 peptide, ZINC ION | Authors: | Hu, L, Li, Z, Wang, P, Lin, Y, Xu, Y. | Deposit date: | 2011-06-16 | Release date: | 2011-08-24 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structure of PHD domain of UHRF1 and insights into recognition of unmodified histone H3 arginine residue 2. Cell Res., 2011
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8RX0
| (NEDD8)-CRL2VHL-MZ1-Brd4BD2-Ub(G76S, K48C)-UBE2R1(C93K, S138C, C191S, C223S)-Ub | Descriptor: | (2~{S},4~{R})-1-[(2~{S})-2-[2-[2-[2-[2-[2-[(9~{S})-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^{2,6}]trideca-2(6),4,7,10,12-pentaen-9-yl]ethanoylamino]ethoxy]ethoxy]ethoxy]ethanoylamino]-3,3-dimethyl-butanoyl]-~{N}-[[4-(4-methyl-2,3-dihydro-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide, Cullin-2, E3 ubiquitin-protein ligase RBX1, ... | Authors: | Crowe, C, Nakasone, M.A, Ciulli, A. | Deposit date: | 2024-02-05 | Release date: | 2024-03-06 | Last modified: | 2024-09-04 | Method: | ELECTRON MICROSCOPY (3.7 Å) | Cite: | (NEDD8)-CRL2VHL-MZ1-Brd4BD2-Ub(G76S, K48C)-UBE2R1(C93K, S138C, C191S, C223S)-Ub To Be Published
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2WO2
| Crystal Structure of the EphA4-ephrinB2 complex | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, EPHRIN TYPE-A RECEPTOR, EPHRIN-B2 | Authors: | Bowden, T.A, Aricescu, A.R, Nettleship, J.E, Siebold, C, Rahman-Huq, N, Owens, R.J, Stuart, D.I, Jones, E.Y. | Deposit date: | 2009-07-21 | Release date: | 2009-10-27 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Structural Plasticity of Eph-Receptor A4 Facilitates Cross-Class Ephrin Signalling Structure, 17, 2009
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1MN0
| Crystal structure of galactose mutarotase from lactococcus lactis complexed with D-xylose | Descriptor: | Aldose 1-epimerase, NICKEL (II) ION, alpha-D-xylopyranose | Authors: | Thoden, J.B, Kim, J, Raushel, F.M, Holden, H.M. | Deposit date: | 2002-09-04 | Release date: | 2002-09-18 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural and kinetic studies of sugar binding to galactose mutarotase from Lactococcus lactis. J.Biol.Chem., 277, 2002
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4JKI
| Crystal Structure of N10-Formyltetrahydrofolate Synthetase with ZD9331, Formylphosphate, and ADP | Descriptor: | 2,7-dimethyl-6-[(prop-1-yn-1-ylamino)methyl]quinazolin-4(3H)-one, ADENOSINE-5'-DIPHOSPHATE, Formate--tetrahydrofolate ligase, ... | Authors: | Celeste, L.R, Lovelace, L.L, Lebioda, L. | Deposit date: | 2013-03-09 | Release date: | 2013-03-20 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Mechanism of N10-formyltetrahydrofolate synthetase derived from complexes with intermediates and inhibitors. Protein Sci., 21, 2012
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2FSZ
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6Q40
| A secreted LysM effector of the wheat pathogen Zymoseptoria tritici protects the fungal hyphae against chitinase hydrolysis through ligand-dependent polymerisation of LysM homodimers | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, LysM domain-containing protein | Authors: | Mesters, J.R, Saleem-Batcha, R, Sanchez-Vallet, A, Thomma, B.P.H.J. | Deposit date: | 2018-12-05 | Release date: | 2019-10-16 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.412 Å) | Cite: | A secreted LysM effector protects fungal hyphae through chitin-dependent homodimer polymerization. Plos Pathog., 16, 2020
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3JYJ
| Structure-Based Design of Novel PIN1 Inhibitors (II) | Descriptor: | (2R,4E)-2-[(naphthalen-2-ylcarbonyl)amino]-5-phenylpent-4-enoic acid, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | Authors: | Greasley, S.E, Ferre, R.A. | Deposit date: | 2009-09-21 | Release date: | 2010-04-07 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | Structure-based design of novel human Pin1 inhibitors (II). Bioorg.Med.Chem.Lett., 20, 2010
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1MMY
| Crystal structure of galactose mutarotase from Lactococcus lactis complexed with D-quinovose | Descriptor: | Aldose 1-epimerase, SODIUM ION, alpha-D-quinovopyranose | Authors: | Thoden, J.B, Kim, J, Raushel, F.M, Holden, H.M. | Deposit date: | 2002-09-04 | Release date: | 2002-09-18 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structural and kinetic studies of sugar binding to galactose mutarotase from Lactococcus lactis. J.Biol.Chem., 277, 2002
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1ISH
| Crystal Structure Analysis of BST-1/CD157 complexed with ethenoNADP | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ETHENO-NADP, bone marrow stromal cell antigen 1 | Authors: | Yamamoto-Katayama, S, Ariyoshi, M, Ishihara, K, Hirano, T, Jingami, H, Morikawa, K. | Deposit date: | 2001-12-05 | Release date: | 2002-03-13 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystallographic studies on human BST-1/CD157 with ADP-ribosyl cyclase and NAD glycohydrolase activities. J.Mol.Biol., 316, 2002
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6C9A
| Cryo-EM structure of mouse TPC1 channel in the PtdIns(3,5)P2-bound state | Descriptor: | (2R)-3-{[(S)-hydroxy{[(1S,2R,3R,4S,5S,6R)-2,4,6-trihydroxy-3,5-bis(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}propane-1,2-diyl dioctanoate, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | She, J, Guo, J, Chen, Q, Bai, X, Jiang, Y. | Deposit date: | 2018-01-25 | Release date: | 2018-04-04 | Last modified: | 2020-07-29 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Structural insights into the voltage and phospholipid activation of the mammalian TPC1 channel. Nature, 556, 2018
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3ZZH
| Crystal structure of the amino acid kinase domain from Saccharomyces cerevisiae acetylglutamate kinase in complex with its feed- back inhibitor L-arginine | Descriptor: | 1,2-ETHANEDIOL, ACETYLGLUTAMATE KINASE, ARGININE, ... | Authors: | de Cima, S, Gil-Ortiz, F, Crabeel, M, Fita, I, Rubio, V. | Deposit date: | 2011-09-01 | Release date: | 2012-05-02 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Insight on an Arginine Synthesis Metabolon from the Tetrameric Structure of Yeast Acetylglutamate Kinase Plos One, 7, 2012
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2XFH
| Structure of cytochrome P450 EryK cocrystallized with inhibitor clotrimazole. | Descriptor: | 1-[(2-CHLOROPHENYL)(DIPHENYL)METHYL]-1H-IMIDAZOLE, DIMETHYL SULFOXIDE, ERYTHROMYCIN B/D C-12 HYDROXYLASE, ... | Authors: | Savino, C, Montemiglio, L.C, Gianni, S, Vallone, B. | Deposit date: | 2010-05-24 | Release date: | 2010-09-29 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Azole Drugs Trap Cytochrome P450 Eryk in Alternative Conformational States. Biochemistry, 49, 2010
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5I57
| Glutamate- and glycine-bound GluN1/GluN2A agonist binding domains | Descriptor: | GLUTAMIC ACID, GLYCINE, Glutamate receptor ionotropic, ... | Authors: | Mou, T.-C, Sprang, S.R, Hansen, K.B. | Deposit date: | 2016-02-14 | Release date: | 2016-09-21 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural Basis for Negative Allosteric Modulation of GluN2A-Containing NMDA Receptors. Neuron, 91, 2016
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