4LL1
 
 | | The structure of the TRX and TXNIP complex | | Descriptor: | Thioredoxin, Thioredoxin-interacting protein | | Authors: | Hwang, J, Kim, M.H. | | Deposit date: | 2013-07-09 | | Release date: | 2014-02-05 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The structural basis for the negative regulation of thioredoxin by thioredoxin-interacting protein
Nat Commun, 5, 2014
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4BTE
 | | DJ-1 Cu(I) complex | | Descriptor: | COPPER (I) ION, PROTEIN DJ-1 | | Authors: | Puno, M.R.A, Odell, M, Moody, P.C.E. | | Deposit date: | 2013-06-14 | | Release date: | 2013-11-06 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.38 Å) | | Cite: | Structure of Cu(I)-Bound Dj-1 Reveals a Biscysteinate Metal Binding Site at the Homodimer Interface: Insights Into Mutational Inactivation of Dj-1 in Parkinsonism.
J.Am.Chem.Soc., 135, 2013
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2AZZ
 | | Crystal Structure of Porcine Pancreatic Phospholipase A2 in Complex with Taurocholate | | Descriptor: | CALCIUM ION, CHLORIDE ION, Phospholipase A2, ... | | Authors: | Pan, Y.H, Bahnson, B.J, Jain, M.K. | | Deposit date: | 2005-09-12 | | Release date: | 2006-11-14 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural basis for bile salt inhibition of pancreatic phospholipase A2.
J.Mol.Biol., 369, 2007
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2B03
 | | Crystal Structure of Porcine Pancreatic Phospholipase A2 in Complex with Taurochenodeoxycholate | | Descriptor: | CALCIUM ION, Phospholipase A2, major isoenzyme, ... | | Authors: | Pan, Y.H, Bahnson, B.J, Jain, M.K. | | Deposit date: | 2005-09-12 | | Release date: | 2006-11-14 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural basis for bile salt inhibition of pancreatic phospholipase A2.
J.Mol.Biol., 369, 2007
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2B00
 | | Crystal Structure of Porcine Pancreatic Phospholipase A2 in Complex with Glycocholate | | Descriptor: | CALCIUM ION, GLYCOCHOLIC ACID, Phospholipase A2, ... | | Authors: | Pan, Y.H, Bahnson, B.J, Jain, M.K. | | Deposit date: | 2005-09-12 | | Release date: | 2006-11-14 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Structural basis for bile salt inhibition of pancreatic phospholipase A2.
J.Mol.Biol., 369, 2007
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2B04
 | | Crystal Structure of Porcine Pancreatic Phospholipase A2 in Complex with Glycochenodeoxycholate | | Descriptor: | CALCIUM ION, CHLORIDE ION, GLYCOCHENODEOXYCHOLIC ACID, ... | | Authors: | Pan, Y.H, Bahnson, B.J, Jain, M.K. | | Deposit date: | 2005-09-12 | | Release date: | 2006-11-14 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural basis for bile salt inhibition of pancreatic phospholipase A2.
J.Mol.Biol., 369, 2007
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2B01
 | | Crystal Structure of Porcine Pancreatic Phospholipase A2 in Complex with Taurochenodeoxycholate | | Descriptor: | CALCIUM ION, CHLORIDE ION, Phospholipase A2, ... | | Authors: | Pan, Y.H, Bahnson, B.J, Jain, M.K. | | Deposit date: | 2005-09-12 | | Release date: | 2006-11-14 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural basis for bile salt inhibition of pancreatic phospholipase A2.
J.Mol.Biol., 369, 2007
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2JLD
 | | Extremely Tight Binding of Ruthenium Complex to Glycogen Synthase Kinase 3 | | Descriptor: | GLYCOGEN SYNTHASE KINASE-3 BETA, PEPTIDE (ALA-GLY-GLY-ALA-ALA-ALA-ALA-ALA), RUTHENIUM PYRIDOCARBAZOLE | | Authors: | Atilla-Gokcumen, G.E, Pagano, N, Streu, C, Maksimoska, J, Filippakopoulos, P, Knapp, S, Meggers, E. | | Deposit date: | 2008-09-08 | | Release date: | 2008-12-09 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Extremely Tight Binding of a Ruthenium Complex to Glycogen Synthase Kinase 3.
Chembiochem, 9, 2008
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3INK
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6SLV
 | | Fragment AZ-013 binding at the p53pT387/14-3-3 sigma interface | | Descriptor: | 14-3-3 protein sigma, 4-(methylamino)-7-propan-2-yloxy-1-benzothiophene-2-carboximidamide, CHLORIDE ION, ... | | Authors: | Ottmann, C, Wolter, M, Guillory, X, Leysen, S, Genet, S, Somsen, B, Patel, J, Castaldi, P. | | Deposit date: | 2019-08-20 | | Release date: | 2020-06-17 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Fragment-based Differential Targeting of PPI Stabilizer Interfaces.
J.Med.Chem., 63, 2020
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2CUE
 | | Solution structure of the homeobox domain of the human paired box protein Pax-6 | | Descriptor: | Paired box protein Pax6 | | Authors: | Ohnishi, S, Kigawa, T, Tochio, N, Tomizawa, T, Koshiba, S, Inoue, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 2005-05-26 | | Release date: | 2005-11-26 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | Solution structure of the homeobox domain of the human paired box protein Pax-6
To be Published
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2QLV
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6N7G
 | | Cryo-EM structure of tetrameric Ptch1 in complex with ShhNp (form I) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | Authors: | Yan, N, Gong, X, Qian, H.W. | | Deposit date: | 2018-11-27 | | Release date: | 2019-05-29 | | Last modified: | 2020-07-29 | | Method: | ELECTRON MICROSCOPY (6.8 Å) | | Cite: | Inhibition of tetrameric Patched1 by Sonic Hedgehog through an asymmetric paradigm.
Nat Commun, 10, 2019
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8IA2
 | | Structure of C5a bound human C5aR1 in complex with Go (Composite map) | | Descriptor: | Antibody fragment - ScFv16, C5a anaphylatoxin, C5a anaphylatoxin chemotactic receptor 1, ... | | Authors: | Yadav, M.K, Yadav, R, Maharana, J, Banerjee, R, Shukla, A.K, Gati, C. | | Deposit date: | 2023-02-07 | | Release date: | 2023-10-18 | | Last modified: | 2023-11-08 | | Method: | ELECTRON MICROSCOPY (3.21 Å) | | Cite: | Molecular basis of anaphylatoxin binding, activation, and signaling bias at complement receptors.
Cell, 186, 2023
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7BO7
 | | CRYSTAL STRUCTURE OF THE HUMAN PRMT5:MEP50 COMPLEX with JNJB44355437 | | Descriptor: | (2~{R},3~{R},4~{S},5~{R})-2-[(4~{a}~{S},7~{a}~{S})-4-azanyl-1,4,4~{a},7~{a}-tetrahydropyrrolo[2,3-d]pyrimidin-7-yl]-5-(quinolin-7-yloxymethyl)oxolane-3,4-diol, 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | | Authors: | Brown, D, Robinson, C, Carr, K.H, Pande, V. | | Deposit date: | 2021-01-24 | | Release date: | 2022-03-02 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.83 Å) | | Cite: | CRYSTAL STRUCTURE OF THE HUMAN PRMT5:MEP50 COMPLEX with JNJB44355437
To Be Published
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6GES
 | | Crystal structure of ERK1 covalently bound to SM1-71 | | Descriptor: | 1,2-ETHANEDIOL, Mitogen-activated protein kinase 3, N-{2-[(5-chloro-2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)amino]phenyl}propanamide, ... | | Authors: | Chaikuad, A, Suman, R, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Gray, N.S, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2018-04-27 | | Release date: | 2019-02-27 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.07 Å) | | Cite: | Leveraging Compound Promiscuity to Identify Targetable Cysteines within the Kinome.
Cell Chem Biol, 26, 2019
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6N0K
 | | The complex of CCG-257081 bound to pirin | | Descriptor: | (3R)-N-(4-chlorophenyl)-5,5-difluoro-1-[3-fluoro-5-(pyridin-4-yl)benzene-1-carbonyl]piperidine-3-carboxamide, 1,2-ETHANEDIOL, FE (III) ION, ... | | Authors: | Lisabeth, E.M, Jin, X, Neubig, R. | | Deposit date: | 2018-11-07 | | Release date: | 2019-07-10 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.46 Å) | | Cite: | Identification of Pirin as a Molecular Target of the CCG-1423/CCG-203971 Series of Antifibrotic and Antimetastatic Compounds
ACS Pharmacol Transl Sci, 2, 2019
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6NV2
 | | 14-3-3 sigma with RelA/p65 binding site pS45 in complex with DP005 | | Descriptor: | (4R,5R,6R,6aS,9S,9aE,10aR)-5-hydroxy-9-(methoxymethyl)-6,10a-dimethyl-3-(propan-2-yl)-1,2,4,5,6,6a,7,8,9,10a-decahydrodicyclopenta[a,d][8]annulen-4-yl alpha-D-glucopyranoside, 14-3-3 protein sigma, CHLORIDE ION, ... | | Authors: | Wolter, M, Ottmann, C. | | Deposit date: | 2019-02-04 | | Release date: | 2020-05-13 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.13 Å) | | Cite: | Selectivity via Cooperativity: Preferential Stabilization of the p65/14-3-3 Interaction with Semisynthetic Natural Products.
J.Am.Chem.Soc., 142, 2020
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2FSA
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3LW8
 | | Shigella IpgB2 in complex with human RhoA, GDP and Mg2+ (complex A) | | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, IpgB2, MAGNESIUM ION, ... | | Authors: | Klink, B.U, Barden, S, Heidler, T.V, Borchers, C, Ladwein, M, Stradal, T.E.B, Rottner, K, Heinz, D.W. | | Deposit date: | 2010-02-23 | | Release date: | 2010-03-31 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Structure of Shigella IPGB2 in complex with human RhoA: Implications for the mechanism of bacterial GEF-mimicry
J.Biol.Chem., 285, 2010
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8JJ6
 | | Structure of the NELF-BCE complex | | Descriptor: | NELF-E, Negative elongation factor B, Negative elongation factor complex member C/D | | Authors: | Wang, Z, Cao, Y, Qin, Y. | | Deposit date: | 2023-05-29 | | Release date: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.72 Å) | | Cite: | The crystal structure of the human NELF-B, NELF-C, and NELF-E trimeric complex
To Be Published
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8J6K
 | | Crystal structure of pro-interleukin-18 and caspase-4 complex | | Descriptor: | Arginine ADP-riboxanase OspC3, Caspase-4 subunit p10, Caspase-4 subunit p20, ... | | Authors: | Sun, Q, Hou, Y.J, Ding, J. | | Deposit date: | 2023-04-26 | | Release date: | 2023-11-29 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (3.12 Å) | | Cite: | Recognition and maturation of IL-18 by caspase-4 noncanonical inflammasome.
Nature, 624, 2023
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6K1S
 | | Discovery of Potent and Selective Covalent Protein Arginine Methyltransferase (PRMT5) Inhibitors | | Descriptor: | 1,2-ETHANEDIOL, 2-[[7-[(2~{R},3~{R},4~{S},5~{R})-5-[(~{R})-(4-chlorophenyl)-oxidanyl-methyl]-3,4-bis(oxidanyl)oxolan-2-yl]pyrrolo[2,3-d]pyrimidin-4-yl]amino]ethanal, DIMETHYL SULFOXIDE, ... | | Authors: | Tong, S, Lin, H. | | Deposit date: | 2019-05-12 | | Release date: | 2019-06-19 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Discovery of Potent and Selective Covalent Protein Arginine Methyltransferase 5 (PRMT5) Inhibitors.
Acs Med.Chem.Lett., 10, 2019
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6O19
 | | Crystal Structure of Pho7 complex with pho1 promoter site 2 | | Descriptor: | DNA (5'-D(*GP*TP*TP*TP*TP*TP*AP*AP*TP*TP*TP*CP*CP*GP*AP*AP*TP*AP*AP*T)-3'), DNA (5'-D(*TP*TP*AP*TP*TP*CP*GP*GP*AP*AP*AP*TP*TP*AP*AP*AP*AP*AP*CP*A)-3'), Transcription factor Pho7, ... | | Authors: | Garg, A, Goldgur, Y, Shuman, S. | | Deposit date: | 2019-02-18 | | Release date: | 2019-04-24 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.596 Å) | | Cite: | Structure of Fission Yeast Transcription Factor Pho7 Bound topho1Promoter DNA and Effect of Pho7 Mutations on DNA Binding and Phosphate Homeostasis.
Mol.Cell.Biol., 39, 2019
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6NT9
 | | Cryo-EM structure of the complex between human TBK1 and chicken STING | | Descriptor: | Serine/threonine-protein kinase TBK1, Stimulator of interferon genes protein | | Authors: | Shang, G, Zhang, C, Chen, Z.J, Bai, X, Zhang, X. | | Deposit date: | 2019-01-28 | | Release date: | 2019-03-06 | | Last modified: | 2024-03-20 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Structural basis of STING binding with and phosphorylation by TBK1.
Nature, 567, 2019
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