1NMQ
| Extendend Tethering: In Situ Assembly of Inhibitors | Descriptor: | 3-(3-{2-[(5-METHANESULFONYL-THIOPHENE-2-CARBONYL)-AMINO]-ETHYLDISULFANYLMETHYL}- BENZENESULFONYLAMINO)-4-OXO-PENTANOIC ACID, Caspase-3 | Authors: | Erlanson, D.A, Lam, J, Wiesmann, C, Luong, T.N, Simmons, R.L, DeLano, W, Choong, I.C, Flanagan, M, Lee, D, O'Brian, T. | Deposit date: | 2003-01-10 | Release date: | 2003-03-11 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | In situ assembly of enzyme inhibitors using extended tethering. Nat.Biotechnol., 21, 2003
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6TGC
| CryoEM structure of the ternary DOCK2-ELMO1-RAC1 complex. | Descriptor: | Dedicator of cytokinesis protein 2, Engulfment and cell motility protein 1, Ras-related C3 botulinum toxin substrate 1 | Authors: | Chang, L, Yang, J, Chang, J.H, Zhang, Z, Boland, A, McLaughlin, S.H, Abu-Thuraia, A, Killoran, R.C, Smith, M.J, Cote, J.F, Barford, D. | Deposit date: | 2019-11-15 | Release date: | 2020-07-29 | Last modified: | 2024-07-10 | Method: | ELECTRON MICROSCOPY (4.1 Å) | Cite: | Structure of the DOCK2-ELMO1 complex provides insights into regulation of the auto-inhibited state. Nat Commun, 11, 2020
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7SXN
| Orb2A residues 1-9 MYNKFVNFI | Descriptor: | Orb2A residues 1-9 MYNKFVNFI | Authors: | Bowler, J.T, Sawaya, M.R, Boyer, D.R, Cascio, D, Eisenberg, D.S. | Deposit date: | 2021-11-23 | Release date: | 2022-10-05 | Last modified: | 2024-05-22 | Method: | ELECTRON CRYSTALLOGRAPHY (1.05 Å) | Cite: | Micro-electron diffraction structure of the aggregation-driving N terminus of Drosophila neuronal protein Orb2A reveals amyloid-like beta-sheets. J.Biol.Chem., 298, 2022
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1HQT
| THE CRYSTAL STRUCTURE OF AN ALDEHYDE REDUCTASE Y50F MUTANT-NADP COMPLEX AND ITS IMPLICATIONS FOR SUBSTRATE BINDING | Descriptor: | ALDEHYDE REDUCTASE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Ye, Q, Hyndman, D, Green, N.C, Li, L, Korithoski, B, Jia, Z, Flynn, T.G. | Deposit date: | 2000-12-19 | Release date: | 2001-05-16 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | The Crystal Structure of an Aldehyde Reductase Y50F Mutant-NADP Complex and its Implications for Substrate Binding Chem.Biol.Interact., 132, 2001
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3N52
| crystal Structure analysis of MIP2 | Descriptor: | C-X-C motif chemokine 2 | Authors: | Rajasekaran, D. | Deposit date: | 2010-05-24 | Release date: | 2011-06-08 | Last modified: | 2017-11-08 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | A Model of GAG/MIP-2/CXCR2 Interfaces and Its Functional Effects. Biochemistry, 51, 2012
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5DP1
| Crystal structure of CurK enoyl reductase | Descriptor: | CurK, GLYCEROL, PHOSPHATE ION | Authors: | Khare, D, Smith, J.L. | Deposit date: | 2015-09-12 | Release date: | 2015-11-18 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structural Basis for Cyclopropanation by a Unique Enoyl-Acyl Carrier Protein Reductase. Structure, 23, 2015
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1HIW
| TRIMERIC HIV-1 MATRIX PROTEIN | Descriptor: | HIV-1 MATRIX PROTEIN, SULFATE ION | Authors: | Hill, C.P, Worthylake, D, Bancroft, D.P, Christensen, A.M, Sundquist, W.I. | Deposit date: | 1996-02-28 | Release date: | 1996-10-14 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structures of the trimeric human immunodeficiency virus type 1 matrix protein: implications for membrane association and assembly. Proc.Natl.Acad.Sci.USA, 93, 1996
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5E1X
| Crystal structure of the organohalide sensing RdhR-CbdbA1625 transcriptional regulator in the 3,4-dichlorophenol bound form | Descriptor: | 3,4-dichlorophenol, Transcriptional regulator, MarR family | Authors: | Quezada, C.P, Dunstan, M.S, Fisher, K, Leys, D. | Deposit date: | 2015-09-30 | Release date: | 2016-10-05 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.46 Å) | Cite: | Crystal structures of RdhRCbdbA1625 provide insight into sensing of chloroaromatic compounds by MarR-type regulators TO BE PUBLISHED
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7TDQ
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1HOV
| SOLUTION STRUCTURE OF A CATALYTIC DOMAIN OF MMP-2 COMPLEXED WITH SC-74020 | Descriptor: | CALCIUM ION, MATRIX METALLOPROTEINASE-2, N-{4-[(1-HYDROXYCARBAMOYL-2-METHYL-PROPYL)-(2-MORPHOLIN-4-YL-ETHYL)-SULFAMOYL]-4-PENTYL-BENZAMIDE, ... | Authors: | Feng, Y, Likos, J.J, Zhu, L, Woodward, H, Munie, G, McDonald, J.J, Stevens, A.M, Howard, C.P, De Crescenzo, G.A, Welsch, D, Shieh, H.-S, Stallings, W.C. | Deposit date: | 2000-12-11 | Release date: | 2001-12-12 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Solution structure and backbone dynamics of the catalytic domain of matrix metalloproteinase-2 complexed with a hydroxamic acid inhibitor Biochim.Biophys.Acta, 1598, 2002
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1HRF
| SOLUTION STRUCTURE OF THE EPIDERMAL GROWTH FACTOR-LIKE DOMAIN OF HEREGULIN-ALPHA, A LIGAND FOR P180ERB4 | Descriptor: | HEREGULIN ALPHA | Authors: | Nagata, K, Kohda, D, Hatanaka, H, Ichikawa, S, Inagaki, F. | Deposit date: | 1994-07-21 | Release date: | 1994-10-15 | Last modified: | 2017-11-29 | Method: | SOLUTION NMR | Cite: | Solution structure of the epidermal growth factor-like domain of heregulin-alpha, a ligand for p180erbB-4. EMBO J., 13, 1994
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6TDG
| Crystal structure of Aspergillus fumigatus Glucosamine-6-phosphate N-acetyltransferase 1 in complex with compound 2 | Descriptor: | 2-chloranyl-3-(4~{H}-1,2,4-triazol-3-yl)aniline, ACETYL COENZYME *A, Glucosamine 6-phosphate N-acetyltransferase | 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 (1.74 Å) | Cite: | Targeting a critical step in fungal hexosamine biosynthesis. J.Biol.Chem., 295, 2020
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1HUJ
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4E0N
| SVQIVYK segment from human Tau (305-311) displayed on 54-membered macrocycle scaffold (form II) | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Cyclic pseudo-peptide SVQIVYK(ORN)EF(HAO)(4BF)K(ORN), PHOSPHATE ION | Authors: | Zhao, M, Liu, C, Michael, S.R, Eisenberg, D. | Deposit date: | 2012-03-04 | Release date: | 2012-12-19 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Out-of-register beta-sheets suggest a pathway to toxic amyloid aggregates. Proc.Natl.Acad.Sci.USA, 109, 2012
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5DLC
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1MI0
| Crystal Structure of the redesigned protein G variant NuG2 | Descriptor: | immunoglobulin-binding protein G | Authors: | Nauli, S, Kuhlman, B, Le Trong, I, Stenkamp, R.E, Teller, D.C, Baker, D. | Deposit date: | 2002-08-21 | Release date: | 2002-09-18 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Crystal structures and increased stabilization of the protein G variants with switched folding pathways NuG1 and NuG2 Biochemistry, 11, 2002
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1KHE
| PEPCK complex with nonhydrolyzable GTP analog, MAD data | Descriptor: | MANGANESE (II) ION, PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER, Phosphoenolpyruvate Carboxykinase, ... | Authors: | Dunten, P, Belunis, C, Crowther, R, Hollfelder, K, Kammlott, U, Levin, W, Michel, H, Ramsey, G.B, Swain, A, Weber, D, Wertheimer, S.J. | Deposit date: | 2001-11-29 | Release date: | 2002-02-27 | Last modified: | 2017-10-11 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal structure of human cytosolic phosphoenolpyruvate carboxykinase reveals a new GTP-binding site. J.Mol.Biol., 316, 2002
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1KMO
| Crystal structure of the Outer Membrane Transporter FecA | Descriptor: | HEPTANE-1,2,3-TRIOL, Iron(III) dicitrate transport protein fecA, LAURYL DIMETHYLAMINE-N-OXIDE | Authors: | Ferguson, A.D, Chakraborty, R, Smith, B.S, Esser, L, van der Helm, D, Deisenhofer, J. | Deposit date: | 2001-12-17 | Release date: | 2002-03-06 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural basis of gating by the outer membrane transporter FecA. Science, 295, 2002
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3NHC
| GYMLGS segment 127-132 from human prion with M129 | Descriptor: | Major prion protein | Authors: | Apostol, M.I, Eisenberg, D. | Deposit date: | 2010-06-14 | Release date: | 2010-08-04 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.57 Å) | Cite: | Crystallographic studies of prion protein (PrP) segments suggest how structural changes encoded by polymorphism at residue 129 modulate susceptibility to human prion disease. J.Biol.Chem., 285, 2010
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5DYI
| Structure of p97 N-D1 wild-type in complex with ADP | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Transitional endoplasmic reticulum ATPase | Authors: | Tang, W.K, Xia, D. | Deposit date: | 2015-09-24 | Release date: | 2016-02-10 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (3.71 Å) | Cite: | Role of the D1-D2 Linker of Human VCP/p97 in the Asymmetry and ATPase Activity of the D1-domain. Sci Rep, 6, 2016
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5CSU
| Disproportionating enzyme 1 from Arabidopsis - acarviostatin soak | Descriptor: | 1,2-ETHANEDIOL, 4-alpha-glucanotransferase DPE1, chloroplastic/amyloplastic, ... | Authors: | O'Neill, E.C, Stevenson, C.E.M, Tantanarat, K, Latousakis, D, Donaldson, M.I, Rejzek, M, Limpaseni, T, Smith, A.M, Field, R.A, Lawson, D.M. | Deposit date: | 2015-07-23 | Release date: | 2015-11-04 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.53 Å) | Cite: | Structural Dissection of the Maltodextrin Disproportionation Cycle of the Arabidopsis Plastidial Disproportionating Enzyme 1 (DPE1). J.Biol.Chem., 290, 2015
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4DN8
| Structure of porcine surfactant protein D neck and carbohydrate recognition domain complexed with mannose | Descriptor: | CALCIUM ION, Pulmonary surfactant-associated protein D, beta-D-mannopyranose | Authors: | van Eijk, M, Rynkiewicz, M.J, White, M.R, Hartshorn, K.L, Zou, X, Schulten, K, Luo, D, Crouch, E.C, Cafarella, T.M, Head, J.F, Haagsman, H.P, Seaton, B.A. | Deposit date: | 2012-02-08 | Release date: | 2012-06-20 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | A Unique Sugar-binding Site Mediates the Distinct Anti-influenza Activity of Pig Surfactant Protein D. J.Biol.Chem., 287, 2012
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6TPT
| Crystal structures of FNIII domain three and four of the human leucocyte common antigen-related protein, LAR | Descriptor: | Receptor-type tyrosine-protein phosphatase F | Authors: | Vilstrup, J.P, Thirup, S.S, Simonsen, A, Birkefeldt, T, Strandbygaard, D. | Deposit date: | 2019-12-14 | Release date: | 2020-05-13 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Crystal and solution structures of fragments of the human leucocyte common antigen-related protein. Acta Crystallogr D Struct Biol, 76, 2020
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1KS5
| Structure of Aspergillus niger endoglucanase | Descriptor: | Endoglucanase A | Authors: | Khademi, S, Zhang, D, Swanson, S.M, Wartenberg, A, Witte, C, Meyer, E.F. | Deposit date: | 2002-01-10 | Release date: | 2003-01-21 | Last modified: | 2017-02-01 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Determination of the structure of an endoglucanase from Aspergillus niger and its mode of inhibition by palladium chloride. Acta Crystallogr.,Sect.D, 58, 2002
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4E0O
| SVQIVYK segment from human Tau (305-311) displayed on 54-membered macrocycle scaffold (form III) | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Cyclic pseudo-peptide SVQIVYK(ORN)EF(HAO)(4BF)K(ORN), PHOSPHATE ION | Authors: | Zhao, M, Liu, C, Sawaya, M.R, Eisenberg, D. | Deposit date: | 2012-03-04 | Release date: | 2012-12-19 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Out-of-register beta-sheets suggest a pathway to toxic amyloid aggregates. Proc.Natl.Acad.Sci.USA, 109, 2012
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