1XKQ
 
 | | Crystal Structure of Short-Chain Dehydrogenase/Reductase of unknown Function from Caenorhabditis Elegans with Cofactor | | Descriptor: | NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, short-chain reductase family member (5D234) | | Authors: | Schormann, N, Zhou, J, Karpova, E, Zhang, Y, Symersky, J, Bunzel, B, Huang, W.-Y, Arabshahi, A, Qiu, S, Luan, C.-H, Gray, R, Carson, M, Tsao, J, Luo, M, Johnson, D, Lu, S, Lin, G, Luo, D, Cao, Z, Li, S, McKinstry, A, Shang, Q, Chen, Y.-J, Bray, T, Nagy, L, DeLucas, L, Southeast Collaboratory for Structural Genomics (SECSG) | | Deposit date: | 2004-09-29 | | Release date: | 2004-10-12 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystal Structure of Short-Chain Dehydrogenase/Reductase of unknown Function from Caenorhabditis Elegans with Cofactor
To be Published
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5I04
 | | Crystal structure of the orphan region of human endoglin/CD105 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Maltose-binding periplasmic protein,Endoglin, TRIETHYLENE GLYCOL, ... | | Authors: | Saito, T, Bokhove, M, de Sanctis, D, Jovine, L. | | Deposit date: | 2016-02-03 | | Release date: | 2017-06-07 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.42 Å) | | Cite: | Structural Basis of the Human Endoglin-BMP9 Interaction: Insights into BMP Signaling and HHT1.
Cell Rep, 19, 2017
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5YZD
 | | Crystal structure of the prefusion form of measles virus fusion protein in complex with a fusion inhibitor peptide (FIP) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, glycoprotein F1,measles virus fusion protein, ... | | Authors: | Hashiguchi, T, Fukuda, Y, Matsuoka, R, Kuroda, D, Kubota, M, Shirogane, Y, Watanabe, S, Tsumoto, K, Kohda, D, Plemper, R.K, Yanagi, Y. | | Deposit date: | 2017-12-14 | | Release date: | 2018-02-21 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.636 Å) | | Cite: | Structures of the prefusion form of measles virus fusion protein in complex with inhibitors.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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6GOC
 | | Methylesterase BT1017 | | Descriptor: | DUF3826 domain-containing protein, ZINC ION | | Authors: | Basle, A, Ndeh, D, Gilbert, H. | | Deposit date: | 2018-06-01 | | Release date: | 2019-06-19 | | Last modified: | 2020-04-22 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Characterisation of a methylesterases essential for pectin rhamnogalacturonan II metabolism from the gut bacterium Bacteroides thetaiotaomicron
to be published
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5IA4
 | | Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with foretinib (XL880) | | Descriptor: | 1,2-ETHANEDIOL, Ephrin type-A receptor 2, N-(3-fluoro-4-{[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxy}phenyl)-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide | | 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 (1.797 Å) | | Cite: | Chemical Proteomics and Structural Biology Define EPHA2 Inhibition by Clinical Kinase Drugs.
ACS Chem. Biol., 11, 2016
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6TKY
 | | Crystal structure of the DHR2 domain of DOCK10 in complex with CDC42 | | Descriptor: | Cell division control protein 42 homolog, Dedicator of cytokinesis protein 10, GLYCEROL | | Authors: | Barford, D, Fan, D, Cronin, N, Yang, J. | | Deposit date: | 2019-11-29 | | Release date: | 2020-01-22 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Structural basis for CDC42 and RAC activation by the dual specificity GEF DOCK10
Biorxiv, 2022
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6TM0
 | | N-Domain P40/P90 Mycoplasma pneumoniae complexed with 6'SL | | Descriptor: | Mgp-operon protein 3, N-acetyl-alpha-neuraminic acid-(2-6)-beta-D-galactopyranose-(1-4)-beta-D-glucopyranose | | Authors: | Vizarraga, D, Aparicio, D, Illanes, R, Fita, I, Perez-Luque, R, Martin, J. | | Deposit date: | 2019-12-03 | | Release date: | 2020-11-04 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Immunodominant proteins P1 and P40/P90 from human pathogen Mycoplasma pneumoniae.
Nat Commun, 11, 2020
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6H07
 | | X-ray structure of Lactobacillus brevis alcohol dehydrogenase | | Descriptor: | MAGNESIUM ION, MANGANESE (II) ION, R-specific alcohol dehydrogenase | | Authors: | Hermann, J, Nowotny, P, Biggel, P, Schneider, S, Hekmat, D, Weuster-Botz, D. | | Deposit date: | 2018-07-06 | | Release date: | 2018-12-12 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.482 Å) | | Cite: | Neutron and X-ray crystal structures of Lactobacillus brevis alcohol dehydrogenase reveal new insights into hydrogen-bonding pathways.
Acta Crystallogr F Struct Biol Commun, 74, 2018
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5YZC
 | | Crystal structure of the prefusion form of measles virus fusion protein in complex with a fusion inhibitor compound (AS-48) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-nitro-2-[(phenylacetyl)amino]benzamide, ... | | Authors: | Hashiguchi, T, Fukuda, Y, Matsuoka, R, Kuroda, D, Kubota, M, Shirogane, Y, Watanabe, S, Tsumoto, K, Kohda, D, Plemper, R.K, Yanagi, Y. | | Deposit date: | 2017-12-14 | | Release date: | 2018-02-21 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.334 Å) | | Cite: | Structures of the prefusion form of measles virus fusion protein in complex with inhibitors.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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2YOA
 | | Synaptotagmin-1 C2B domain with phosphoserine | | Descriptor: | CALCIUM ION, PHOSPHOSERINE, SYNAPTOTAGMIN-1, ... | | Authors: | Honigmann, A, van den Bogaart, G, Iraheta, E, Risselada, H.J, Milovanovic, D, Mueller, V, Muellar, S, Diederichsen, U, Fasshauer, D, Grubmuller, H, Hell, S.W, Eggeling, C, Kuhnel, K, Jahn, R. | | Deposit date: | 2012-10-22 | | Release date: | 2013-03-20 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Phosphatidylinositol 4,5-Bisphosphate Clusters Act as Molecular Beacons for Vesicle Recruitment
Nat.Struct.Mol.Biol., 20, 2013
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6H6F
 | | PTC3 holotoxin complex from Photorhabdus luminiscens - Mutant TcC-D651A | | Descriptor: | TcdA1, TcdB2,TccC3,TccC3 | | Authors: | Gatsogiannis, C, Merino, F, Roderer, D, Balchin, D, Schubert, E, Kuhlee, A, Hayer-Hartl, M, Raunser, S. | | Deposit date: | 2018-07-27 | | Release date: | 2018-10-03 | | Last modified: | 2024-05-15 | | Method: | ELECTRON MICROSCOPY (3.72 Å) | | Cite: | Tc toxin activation requires unfolding and refolding of a beta-propeller.
Nature, 563, 2018
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2DNJ
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6TM1
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1KMN
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5LWP
 | | Discovery of phenoxyindazoles and phenylthioindazoles as RORg inverse agonists | | Descriptor: | 4-[3-[2-chloranyl-6-(trifluoromethyl)phenoxy]-5-(dimethylcarbamoyl)indazol-1-yl]benzoic acid, Nuclear receptor ROR-gamma | | Authors: | Ouvry, G, Bouix-Peter, C, Ciesielski, F, Chantalat, L, Christin, O, Comino, C, Duvert, D, Feret, C, Harris, C.S, Luzy, A.-P, Musicki, B, Orfila, D, Pascau, J, Parnet, V, Perrin, A, Pierre, R, Raffin, C, Rival, Y, Taquet, N, Thoreau, E, Hennequin, L.F. | | Deposit date: | 2016-09-19 | | Release date: | 2016-11-16 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Discovery of phenoxyindazoles and phenylthioindazoles as ROR gamma inverse agonists.
Bioorg.Med.Chem.Lett., 26, 2016
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6H6E
 | | PTC3 holotoxin complex from Photorhabdus luminecens in prepore state (TcdA1, TcdB2, TccC3) | | Descriptor: | TcdA1, TcdB2,TccC3 | | Authors: | Gatsogiannis, C, Merino, F, Roderer, D, Balchin, D, Schubert, E, Kuhlee, A, Hayer-Hartl, M, Raunser, S. | | Deposit date: | 2018-07-27 | | Release date: | 2018-10-03 | | Last modified: | 2024-05-15 | | Method: | ELECTRON MICROSCOPY (3.95 Å) | | Cite: | Tc toxin activation requires unfolding and refolding of a beta-propeller.
Nature, 563, 2018
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4X5Z
 | | menin in complex with MI-136 | | Descriptor: | 1,2-ETHANEDIOL, 5-[(4-{[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino}piperidin-1-yl)methyl]-1H-indole-2-carbonitrile, DIMETHYL SULFOXIDE, ... | | Authors: | Pollock, J, Borkin, D, Cierpicki, T, Grembecka, J. | | Deposit date: | 2014-12-06 | | Release date: | 2015-04-15 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | Pharmacologic Inhibition of the Menin-MLL Interaction Blocks Progression of MLL Leukemia In Vivo.
Cancer Cell, 27, 2015
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5I9U
 | | Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase | | Descriptor: | 1,2-ETHANEDIOL, Ephrin type-A receptor 2 | | 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 (1.889 Å) | | Cite: | Chemical Proteomics and Structural Biology Define EPHA2 Inhibition by Clinical Kinase Drugs.
ACS Chem. Biol., 11, 2016
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2Y7X
 | | The discovery of potent and long-acting oral factor Xa inhibitors with tetrahydroisoquinoline and benzazepine P4 motifs | | Descriptor: | 6-CHLORO-N-[(3S)-1-(5-FLUORO-1,2,3,4-TETRAHYDROISOQUINOLIN-6-YL)-2-OXO-PYRROLIDIN-3-YL]NAPHTHALENE-2-SULFONAMIDE, ACTIVATED FACTOR XA HEAVY CHAIN, CALCIUM ION, ... | | Authors: | Watson, N.S, Adams, C, Belton, D, Brown, D, Burns-Kurtis, C.L, Chaudry, L, Chan, C, Convery, M.A, Davies, D.E, Exall, A.M, Harling, J.D, Irving, W.R, Irvine, S, Kleanthous, S, McLay, I.M, Pateman, A.J, Patikis, A.N, Roethka, T.J, Senger, S, Stelman, G.J, Toomey, J.R, West, R.I, Whittaker, C, Zhou, P, Young, R.J. | | Deposit date: | 2011-02-02 | | Release date: | 2011-03-16 | | Last modified: | 2017-06-28 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | The Discovery of Potent and Long-Acting Oral Factor Xa Inhibitors with Tetrahydroisoquinoline and Benzazepine P4 Motifs.
Bioorg.Med.Chem.Lett., 21, 2011
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7ZJP
 | | Optimization of TEAD P-Site Binding Fragment Hit into In Vivo Active Lead MSC-4106 | | Descriptor: | 2-methyl-4-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]indole-7-carboxylic acid, SULFATE ION, Transcriptional enhancer factor TEF-1 | | Authors: | Freire, F, Heinrich, T, Petersson, C, Schneider, R, Garg, S, Schwarz, D, Gunera, J, Seshire, A, Koetzner, L, Schlesiger, S, Musil, D, Schilke, H, Doerfel, B, Diehl, P, Boepple, P, Lemos, A.R, Sousa, P.M.F, Freire, F, Bandeiras, T.M, Carswell, E, Pearson, N, Sirohi, S, Hooker, M, Trivier, E, Broome, R, Balsiger, A, Crowden, A, Dillon, C, Wienke, D. | | Deposit date: | 2022-04-11 | | Release date: | 2022-07-13 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.19 Å) | | Cite: | Optimization of TEAD P-Site Binding Fragment Hit into In Vivo Active Lead MSC-4106 .
J.Med.Chem., 65, 2022
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2YFC
 | | STRUCTURAL AND FUNCTIONAL INSIGHTS OF DR2231 PROTEIN, THE MAZG-LIKE NUCLEOSIDE TRIPHOSPHATE PYROPHOSPHOHYDROLASE FROM DEINOCOCCUS RADIODURANS, COMPLEXED WITH Mn and dUMP | | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, GLYCEROL, MANGANESE (II) ION, ... | | Authors: | Goncalves, A.M.D, De Sanctis, D, Mcsweeney, S.M. | | Deposit date: | 2011-04-05 | | Release date: | 2011-07-06 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | Structural and Functional Insights Into Dr2231 Protein, the Mazg-Like Nucleoside Triphosphate Pyrophosphohydrolase from Deinococcus Radiodurans.
J.Biol.Chem., 286, 2011
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1G2G
 | | MINIMAL CONFORMATION OF THE ALPHA-CONOTOXIN IMI FOR THE ALPHA7 NEURONAL NICOTINIC ACETYLCHOLINE RECEPTOR RECOGNITION | | Descriptor: | ALPHA-CONOTOXIN IMI | | Authors: | Lamthanh, H, Jegou-Matheron, C, Servent, D, Menez, A, Lancelin, J.M. | | Deposit date: | 2000-10-19 | | Release date: | 2000-11-08 | | Last modified: | 2022-02-23 | | Method: | SOLUTION NMR | | Cite: | Minimal conformation of the alpha-conotoxin ImI for the alpha7 neuronal nicotinic acetylcholine receptor recognition: correlated CD, NMR and binding studies.
FEBS Lett., 454, 1999
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7ZU0
 | | HOPS tethering complex from yeast | | Descriptor: | E3 ubiquitin-protein ligase PEP5, Vacuolar membrane protein PEP3, Vacuolar morphogenesis protein 6, ... | | Authors: | Shvarev, D, Schoppe, J, Koenig, C, Perz, A, Fuellbrunn, N, Kiontke, S, Langemeyer, L, Januliene, D, Schnelle, K, Kuemmel, D, Froehlich, F, Moeller, A, Ungermann, C. | | Deposit date: | 2022-05-11 | | Release date: | 2022-09-28 | | Last modified: | 2024-07-24 | | Method: | ELECTRON MICROSCOPY (4.4 Å) | | Cite: | Structure of the endosomal CORVET tethering complex.
Nat Commun, 15, 2024
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2W9N
 | | crystal structure of linear di-ubiquitin | | Descriptor: | CHLORIDE ION, UBIQUITIN, ZINC ION | | Authors: | Komander, D, Reyes-Turcu, F, Wilkinson, K.D, Barford, D. | | Deposit date: | 2009-01-27 | | Release date: | 2009-04-28 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Molecular Discrimination of Structurally Equivalent Lys 63-Linked and Linear Polyubiquitin Chains.
Embo Rep., 10, 2009
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5IQ5
 | | NMR solution structure of Mayaro virus macro domain | | Descriptor: | Macro domain | | Authors: | Melekis, E, Tsika, A.C, Bentrop, D, Papageorgiou, N, Coutard, B, Spyroulias, G.A. | | Deposit date: | 2016-03-10 | | Release date: | 2017-12-20 | | Last modified: | 2024-06-19 | | Method: | SOLUTION NMR | | Cite: | Deciphering the Nucleotide and RNA Binding Selectivity of the Mayaro Virus Macro Domain.
J.Mol.Biol., 431, 2019
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