3ZHQ
 
 | | Crystal structure of the H747A mutant of the SucA domain of Mycobacterium smegmatis KGD | | Descriptor: | CALCIUM ION, MAGNESIUM ION, MULTIFUNCTIONAL 2-OXOGLUTARATE METABOLISM ENZYME, ... | | Authors: | Wagner, T, Barilone, N, Bellinzoni, M, Alzari, P.M. | | Deposit date: | 2012-12-24 | | Release date: | 2013-11-13 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | A Dual Conformation of the Post-Decarboxylation Intermediate is Associated with Distinct Enzyme States in Mycobacterial Alpha-Ketoglutarate Decarboxylase (Kgd).
Biochem.J., 457, 2014
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3ZY7
 | | Crystal structure of computationally redesigned gamma-adaptin appendage domain forming a symmetric homodimer | | Descriptor: | AP-1 COMPLEX SUBUNIT GAMMA-1, DI(HYDROXYETHYL)ETHER, ISOPROPYL ALCOHOL | | Authors: | Stranges, P.B, Machius, M, Miley, M.J, Tripathy, A, Kuhlman, B. | | Deposit date: | 2011-08-17 | | Release date: | 2011-12-28 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.09 Å) | | Cite: | Computational Design of a Symmetric Homodimer Using Beta-Strand Assembly.
Proc.Natl.Acad.Sci.USA, 108, 2011
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3OFE
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3ZHP
 | | Human MST3 (STK24) in complex with MO25beta | | Descriptor: | CALCIUM-BINDING PROTEIN 39-LIKE, SERINE/THREONINE-PROTEIN KINASE 24, SULFATE ION | | Authors: | Elkins, J.M, Szklarz, M, Krojer, T, Mehellou, Y, Alessi, D.R, Chaikaud, A, von Delft, F, Bountra, C, Edwards, A, Knapp, S. | | Deposit date: | 2012-12-24 | | Release date: | 2013-01-16 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Structural Insights Into the Activation of Mst3 by Mo25.
Biochem.Biophys.Res.Commun., 431, 2013
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3O9O
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3ZNH
 | | Crimean Congo Hemorrhagic Fever Virus OTU domain in complex with ubiquitin-propargyl. | | Descriptor: | POLYUBIQUITIN-B, UBIQUITIN THIOESTERASE | | Authors: | Ekkebus, R, vanKasteren, S.I, Kulathu, Y, Scholten, A, Berlin, I, deJong, A, Goerdayal, G, Neefjes, J, Heck, A.J.R, Komander, D, Ovaa, H. | | Deposit date: | 2013-02-14 | | Release date: | 2013-02-27 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | On Terminal Alkynes that Can React with Active-Site Cysteine Nucleophiles in Proteases.
J.Am.Chem.Soc., 135, 2013
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3WIQ
 | | Crystal structure of kojibiose phosphorylase complexed with kojibiose | | Descriptor: | Kojibiose phosphorylase, SULFATE ION, alpha-D-glucopyranose-(1-2)-beta-D-glucopyranose | | Authors: | Okada, S, Yamamoto, T, Watanabe, H, Nishimoto, T, Chaen, H, Fukuda, S, Wakagi, T, Fushinobu, S. | | Deposit date: | 2013-09-24 | | Release date: | 2014-02-05 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structural and mutational analysis of substrate recognition in kojibiose phosphorylase
Febs J., 281, 2014
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3OCR
 | | Crystal structure of aldolase II superfamily protein from Pseudomonas syringae | | Descriptor: | Class II aldolase/adducin domain protein, SULFATE ION | | Authors: | Chang, C, Kagan, O, Savchenko, A, Edwards, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2010-08-10 | | Release date: | 2010-08-25 | | Last modified: | 2017-11-08 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Crystal structure of aldolase II superfamily protein from Pseudomonas syringae
To be Published
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3NKD
 | | Structure of CRISP-associated protein Cas1 from Escherichia coli str. K-12 | | Descriptor: | CRISPR-associated protein Cas1 | | Authors: | Nocek, B, Skarina, T, Beloglazova, N, Savchenko, A, Joachimiak, A, Yakunin, A. | | Deposit date: | 2010-06-18 | | Release date: | 2010-08-25 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | A dual function of the CRISPR-Cas system in bacterial antivirus immunity and DNA repair.
Mol.Microbiol., 79, 2011
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3WPB
 | | Crystal structure of horse TLR9 (unliganded form) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, SULFATE ION, ... | | Authors: | Ohto, U, Tanji, H, Shimizu, T. | | Deposit date: | 2014-01-11 | | Release date: | 2015-02-11 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural basis of CpG and inhibitory DNA recognition by Toll-like receptor 9
Nature, 520, 2015
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3WIF
 | | Crystal structure of anti-prostaglandin E2 Fab fragment 9Cl-PGF2beta complex | | Descriptor: | (Z)-7-[(1R,2R,3R,5R)-5-chloranyl-3-oxidanyl-2-[(E,3S)-3-oxidanyloct-1-enyl]cyclopentyl]hept-5-enoic acid, mAb Fab H fragment, mAb Fab L fragment | | Authors: | Sugahara, M, Ago, H, Saino, H, Miyano, M. | | Deposit date: | 2013-09-12 | | Release date: | 2014-09-17 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Crystal structure of anti-Prostaglandin E2 Fab fragment with Prostaglandin E2
To be Published
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3NMQ
 | | Hsp90b N-terminal domain in complex with EC44, a pyrrolo-pyrimidine methoxypyridine inhibitor | | Descriptor: | 5-{2-amino-4-chloro-7-[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-5-yl}-2-methylpent-4-yn-2 -ol, Heat shock protein HSP 90-beta | | Authors: | Arndt, J.W, Yun, T.J, Harning, E.K, Giza, K, Rabah, D, Li, P, Luchetti, D, Shi, J, Manning, A, Kehry, M.R. | | Deposit date: | 2010-06-22 | | Release date: | 2010-12-22 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | EC144, a Synthetic Inhibitor of Heat Shock Protein 90, Blocks Innate and Adaptive Immune Responses in Models of Inflammation and Autoimmunity.
J.Immunol., 186, 2011
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3NBV
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3WPD
 | | Crystal structure of horse TLR9 in complex with inhibitory DNA4084 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, DNA (5'-D(*CP*CP*TP*GP*GP*AP*TP*GP*GP*G)-3'), ... | | Authors: | Ohto, U, Tanji, H, Shimizu, T. | | Deposit date: | 2014-01-11 | | Release date: | 2015-02-11 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Structural basis of CpG and inhibitory DNA recognition by Toll-like receptor 9
Nature, 520, 2015
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3N57
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3W8W
 | | The crystal structure of EncM | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, Putative FAD-dependent oxygenase EncM | | Authors: | Teufel, R, Miyanaga, A, Stull, F, Michaudel, Q, Louie, G, Noel, J.P, Baran, P.S, Palfey, B, Moore, B.S. | | Deposit date: | 2013-03-22 | | Release date: | 2013-10-30 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Flavin-mediated dual oxidation controls an enzymatic Favorskii-type rearrangement.
Nature, 503, 2013
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3ZHT
 | | Crystal structure of the SucA domain of Mycobacterium smegmatis KGD, first post-decarboxylation intermediate from 2-oxoadipate | | Descriptor: | (5S)-5-{3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-5-(2-{[(phosphonatooxy)phosphinato]oxy}ethyl)-1,3-thiazol-3-ium-2-yl}-5-hydroxypentanoate, CALCIUM ION, MAGNESIUM ION, ... | | Authors: | Wagner, T, Barilone, N, Bellinzoni, M, Alzari, P.M. | | Deposit date: | 2012-12-24 | | Release date: | 2013-11-13 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | A Dual Conformation of the Post-Decarboxylation Intermediate is Associated with Distinct Enzyme States in Mycobacterial Alpha-Ketoglutarate Decarboxylase (Kgd).
Biochem.J., 457, 2014
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3MUL
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3ZHV
 | | Crystal structure of the SucA domain of Mycobacterium smegmatis KGD, post-decarboxylation intermediate from pyruvate (2-hydroxyethyl-ThDP) | | Descriptor: | 2-[3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-2-[(1S)-1-oxidanylethyl]-1,3-thiazol-3-ium-5-yl]ethyl phosphono hydrogen phosphate, CALCIUM ION, MAGNESIUM ION, ... | | Authors: | Wagner, T, Barilone, N, Bellinzoni, M, Alzari, P.M. | | Deposit date: | 2012-12-24 | | Release date: | 2013-11-13 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | A Dual Conformation of the Post-Decarboxylation Intermediate is Associated with Distinct Enzyme States in Mycobacterial Alpha-Ketoglutarate Decarboxylase (Kgd).
Biochem.J., 457, 2014
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3ZL7
 | | BACE2 FYNOMER COMPLEX | | Descriptor: | BETA-SECRETASE 2, FYNOMER 2B-H11 | | Authors: | Banner, D.W, Kuglstatter, A, Benz, J, Stihle, M, Ruf, A. | | Deposit date: | 2013-01-28 | | Release date: | 2013-05-29 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Mapping the Conformational Space Accessible to Bace2 Using Surface Mutants and Co-Crystals with Fab-Fragments, Fynomers, and Xaperones
Acta Crystallogr.,Sect.D, 69, 2013
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3MWY
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3MYD
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3MTF
 | | Crystal structure of the ACVR1 kinase in complex with a 2-aminopyridine inhibitor | | Descriptor: | 1,2-ETHANEDIOL, 3-[6-amino-5-(3,4,5-trimethoxyphenyl)pyridin-3-yl]phenol, Activin receptor type-1, ... | | Authors: | Chaikuad, A, Sanvitale, C, Cooper, C, Mahajan, P, Daga, N, Petrie, K, Alfano, I, Canning, P, Krojer, T, Vollmar, M, Knapp, S, von Delft, F, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A, Structural Genomics Consortium (SGC) | | Deposit date: | 2010-04-30 | | Release date: | 2010-06-23 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | A new class of small molecule inhibitor of BMP signaling.
Plos One, 8, 2013
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3MUK
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3ZK5
 | | PikC D50N mutant bound to the 10-DML analog with the 3-(N,N-dimethylamino)ethanoate anchoring group | | Descriptor: | (3R,4S,5S,7R,9E,11R,12R)-12-ethyl-3,5,7,11-tetramethyl-2,8-dioxooxacyclododec-9-en-4-yl N,N-dimethylglycinate, CYTOCHROME P450 HYDROXYLASE PIKC, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Podust, L.M. | | Deposit date: | 2013-01-21 | | Release date: | 2014-01-29 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | Directing Group-Controlled Regioselectivity in an Enzymatic C-H Bond Oxygenation.
J.Am.Chem.Soc., 136, 2014
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