6WDQ
 
 | | IL23/IL23R/IL12Rb1 signaling complex | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Interleukin-12 receptor subunit beta-1, ... | | Authors: | Jude, K.M, Ely, L.K, Glassman, C.R, Thomas, C, Spangler, J.B, Lupardus, P.J, Garcia, K.C. | | Deposit date: | 2020-04-01 | | Release date: | 2021-02-24 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (3.4 Å) | | Cite: | Structural basis for IL-12 and IL-23 receptor sharing reveals a gateway for shaping actions on T versus NK cells.
Cell, 184, 2021
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5F91
 | | Fumarate hydratase of Mycobacterium tuberculosis in complex with formate and allosteric modulator (N-(5-(azepan-1-ylsulfonyl)-2-methoxyphenyl)-2-(4-oxo-3,4-dihydrophthalazin-1-yl)acetamide) | | Descriptor: | CHLORIDE ION, FORMIC ACID, Fumarate hydratase class II, ... | | Authors: | Kasbekar, M, Fischer, G, Mott, B.T, Yasgar, A, Hyvonen, M, Boshoff, H.I, Abell, C, Barry, C.E, Thomas, C.J. | | Deposit date: | 2015-12-09 | | Release date: | 2016-06-22 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.998 Å) | | Cite: | Selective small molecule inhibitor of the Mycobacterium tuberculosis fumarate hydratase reveals an allosteric regulatory site.
Proc.Natl.Acad.Sci.USA, 113, 2016
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5CS2
 | | Crystal structure of Plasmodium falciparum diadenosine triphosphate hydrolase in complex with Cyclomarin A | | Descriptor: | CHLORIDE ION, Cyclomarin A, Histidine triad protein | | Authors: | Ostermann, N, Schmitt, E, Gerhartz, B, Hinniger, A, Delmas, C. | | Deposit date: | 2015-07-23 | | Release date: | 2015-10-28 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Gift from Nature: Cyclomarin A Kills Mycobacteria and Malaria Parasites by Distinct Modes of Action.
Chembiochem, 16, 2015
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4D8D
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5F92
 | | Fumarate hydratase of Mycobacterium tuberculosis in complex with formate | | Descriptor: | CHLORIDE ION, FORMIC ACID, Fumarate hydratase class II, ... | | Authors: | Kasbekar, M, Fischer, G, Mott, B.T, Yasgar, A, Hyvonen, M, Boshoff, H.I, Abell, C, Barry, C.E, Thomas, C.J. | | Deposit date: | 2015-12-09 | | Release date: | 2016-06-22 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.859 Å) | | Cite: | Selective small molecule inhibitor of the Mycobacterium tuberculosis fumarate hydratase reveals an allosteric regulatory site.
Proc.Natl.Acad.Sci.USA, 113, 2016
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7UYW
 | | Crystal structure of JAK2 kinase domain in complex with compound 30 | | Descriptor: | 2-(2,6-difluorophenyl)-4-[4-(pyrrolidine-1-carbonyl)anilino]-5H-pyrrolo[3,4-b]pyridin-5-one, Tyrosine-protein kinase JAK2 | | Authors: | Toms, A.V, Leit, S, Greenwood, J.R, Mondal, S, Carriero, S, Dahlgren, M, Harriman, G.C, Kennedy-Smith, J.J, Kapeller, R, Lawson, J.P, Romero, D.L, Shelley, M, Wester, R.T, Westlin, W, Mc Elwee, J.J, Miao, W, Edmondson, S.D, Massee, C.E. | | Deposit date: | 2022-05-07 | | Release date: | 2022-08-24 | | Method: | X-RAY DIFFRACTION (2.51 Å) | | Cite: | Potent and selective TYK2-JH1 inhibitors highly efficacious in rodent model of psoriasis.
Bioorg.Med.Chem.Lett., 73, 2022
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7UYV
 | | Crystal structure of JAK3 kinase domain in complex with compound 25 | | Descriptor: | 6-{[(2M)-2-(2-chloro-6-fluorophenyl)-5-oxo-5H-pyrrolo[3,4-b]pyridin-4-yl]amino}-N-ethylpyridine-3-carboxamide, CHLORIDE ION, Tyrosine-protein kinase JAK3 | | Authors: | Toms, A.V, Leit, S, Greenwood, J.R, Mondal, S, Carriero, S, Dahlgren, M, Harriman, G.C, Kennedy-Smith, J.J, Kapeller, R, Lawson, J.P, Romero, D.L, Shelley, M, Wester, R.T, Westlin, W, Mc Elwee, J.J, Miao, W, Edmondson, S.D, Massee, C.E. | | Deposit date: | 2022-05-07 | | Release date: | 2022-08-24 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Potent and selective TYK2-JH1 inhibitors highly efficacious in rodent model of psoriasis.
Bioorg.Med.Chem.Lett., 73, 2022
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4YFN
 | | Escherichia coli RNA polymerase in complex with squaramide compound 14 (N-[3,4-dioxo-2-(4-{[4-(trifluoromethyl)benzyl]amino}piperidin-1-yl)cyclobut-1-en-1-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide) | | Descriptor: | DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ... | | Authors: | Molodtsov, V, Fleming, P.R, Eyermann, C.J, Ferguson, A.D, Foulk, M.A, McKinney, D.C, Masse, C.E, Buurman, E.T, Murakami, K.S. | | Deposit date: | 2015-02-25 | | Release date: | 2015-03-11 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (3.817 Å) | | Cite: | X-ray Crystal Structures of Escherichia coli RNA Polymerase with Switch Region Binding Inhibitors Enable Rational Design of Squaramides with an Improved Fraction Unbound to Human Plasma Protein.
J.Med.Chem., 58, 2015
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6LPC
 | | Crystal Structure of rat Munc18-1 with K332E/K333E mutation | | Descriptor: | Syntaxin-binding protein 1 | | Authors: | Wang, X.P, Gong, J.H, Wang, S, Zhu, L, Yang, X.Y, Xu, Y.Y, Yang, X.F, Ma, C. | | Deposit date: | 2020-01-09 | | Release date: | 2020-07-15 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (3.402 Å) | | Cite: | Munc13 activates the Munc18-1/syntaxin-1 complex and enables Munc18-1 to prime SNARE assembly.
Embo J., 39, 2020
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1NDL
 | | THE AWD NUCLEOTIDE DIPHOSPHATE KINASE FROM DROSOPHILA | | Descriptor: | NUCLEOSIDE DIPHOSPHATE KINASE | | Authors: | Janin, J, Chiadmi, M, Dumas, C, Lascu, I, Lebras, G, Morera, S, Veron, M. | | Deposit date: | 1993-11-27 | | Release date: | 1994-04-30 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crystal structure of the Awd nucleotide diphosphate kinase from Drosophila.
Structure, 1, 1993
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1NDP
 | | ADENOSINE 5'-DIPHOSPHATE BINDING AND THE ACTIVE SITE OF NUCLEOSIDE DIPHOSPHATE KINASE | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, NUCLEOSIDE DIPHOSPHATE KINASE | | Authors: | Janin, J, Morera, S, Dumas, C, Lascu, I, Lebras, G, Veron, M. | | Deposit date: | 1993-11-29 | | Release date: | 1994-04-30 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Adenosine 5'-diphosphate binding and the active site of nucleoside diphosphate kinase.
Biochemistry, 33, 1994
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6TQU
 | | The crystal structure of the MSP domain of human MOSPD2 in complex with the Phospho-FFAT motif of STARD3. | | Descriptor: | Motile sperm domain-containing protein 2, SULFATE ION, StAR-related lipid transfer protein 3 | | Authors: | McEwen, A.G, Poussin-Courmontagne, P, Di Mattia, T, Wendling, C, Cavarelli, J, Tomasetto, C, Alpy, F. | | Deposit date: | 2019-12-17 | | Release date: | 2020-11-18 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | FFAT motif phosphorylation controls formation and lipid transfer function of inter-organelle contacts.
Embo J., 39, 2020
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7QNG
 | | Structure of a MHC I-Tapasin-ERp57 complex | | Descriptor: | Beta-2-microglobulin, H-2 class I histocompatibility antigen, D-B alpha chain, ... | | Authors: | Mueller, I.K, Thomas, C, Trowitzsch, S, Tampe, R. | | Deposit date: | 2021-12-20 | | Release date: | 2022-09-28 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structure of an MHC I-tapasin-ERp57 editing complex defines chaperone promiscuity.
Nat Commun, 13, 2022
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2N5G
 | | NMR structure of KorA, a plasmid-encoded, global transcription regulator KorA | | Descriptor: | TrfB transcriptional repressor protein | | Authors: | Rajasekar, K.V, Lovering, A.L, Dancea, F.V, Scott, D.J, Harris, S, Bingle, L.E, Roessle, M, Thomas, C.M, Hyde, E.I, White, S.A. | | Deposit date: | 2015-07-17 | | Release date: | 2016-07-20 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Flexibility of KorA, a plasmid-encoded, global transcription regulator, in the presence and the absence of its operator.
Nucleic Acids Res., 44, 2016
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1H1W
 | | High resolution crystal structure of the human PDK1 catalytic domain | | Descriptor: | 3-PHOSPHOINOSITIDE DEPENDENT PROTEIN KINASE-1, ADENOSINE-5'-TRIPHOSPHATE, GLYCEROL, ... | | Authors: | Biondi, R.M, Komander, D, Thomas, C.C, Lizcano, J.M, Deak, M, Alessi, D.R, Van Aalten, D.M.F. | | Deposit date: | 2002-07-23 | | Release date: | 2003-07-17 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | High Resolution Crystal Structure of the Human Pdk1 Catalytic Domain Defines the Regulatory Phosphopeptide Docking Site
Embo J., 21, 2003
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3ZJB
 | | The structure of the TRAF domain of human TRAF4 | | Descriptor: | CHLORIDE ION, TNF RECEPTOR-ASSOCIATED FACTOR 4 | | Authors: | McEwen, A.G, Poussin-Courmontagne, P, Rousseau, A, Rogna, D, Nomine, Y, Rio, M.-C, Tomasetto, C, Alpy, F. | | Deposit date: | 2013-01-17 | | Release date: | 2013-12-04 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.84 Å) | | Cite: | Traf4 is a Novel Phosphoinositide-Binding Protein Modulating Tight Junctions and Favoring Cell Migration.
Plos Biol., 11, 2013
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4YFK
 | | Escherichia coli RNA polymerase in complex with squaramide compound 8. | | Descriptor: | 3,5-dimethyl-N-{2-[4-(4-methylbenzyl)piperidin-1-yl]-3,4-dioxocyclobut-1-en-1-yl}-1,2-oxazole-4-sulfonamide, DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, ... | | Authors: | Molodtsov, V, Fleming, P.R, Eyermann, C.J, Ferguson, A.D, Foulk, M.A, McKinney, D.C, Masse, C.E, Buurman, E.T, Murakami, K.S. | | Deposit date: | 2015-02-25 | | Release date: | 2015-03-11 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (3.571 Å) | | Cite: | X-ray Crystal Structures of Escherichia coli RNA Polymerase with Switch Region Binding Inhibitors Enable Rational Design of Squaramides with an Improved Fraction Unbound to Human Plasma Protein.
J.Med.Chem., 58, 2015
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4YFX
 | | Escherichia coli RNA polymerase in complex with Myxopyronin B | | Descriptor: | DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ... | | Authors: | Molodtsov, V, Fleming, P.R, Eyermann, C.J, Ferguson, A.D, Foulk, M.A, McKinney, D.C, Masse, C.E, Buurman, E.T, Murakami, K.S. | | Deposit date: | 2015-02-25 | | Release date: | 2015-03-11 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (3.844 Å) | | Cite: | X-ray Crystal Structures of Escherichia coli RNA Polymerase with Switch Region Binding Inhibitors Enable Rational Design of Squaramides with an Improved Fraction Unbound to Human Plasma Protein.
J.Med.Chem., 58, 2015
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3U2Z
 | | Activator-Bound Structure of Human Pyruvate Kinase M2 | | Descriptor: | 1,6-di-O-phosphono-beta-D-fructofuranose, 6-(3-aminobenzyl)-4-methyl-2-methylsulfinyl-4,6-dihydro-5H-thieno[2',3':4,5]pyrrolo[2,3-d]pyridazin-5-one, Pyruvate kinase isozymes M1/M2, ... | | Authors: | Hong, B, Dimov, S, Tempel, W, Auld, D, Thomas, C, Boxer, M, Jianq, J.-K, Skoumbourdis, A, Min, S, Southall, N, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Inglese, J, Park, H, Structural Genomics Consortium (SGC) | | Deposit date: | 2011-10-04 | | Release date: | 2012-09-12 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Pyruvate kinase M2 activators promote tetramer formation and suppress tumorigenesis.
Nat.Chem.Biol., 8, 2012
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6TQR
 | | The crystal structure of the MSP domain of human VAP-A in complex with the Phospho-FFAT motif of STARD3. | | Descriptor: | CHLORIDE ION, StAR-related lipid transfer protein 3, Vesicle-associated membrane protein-associated protein A | | Authors: | McEwen, A.G, Poussin-Courmontagne, P, Di Mattia, T, Wendling, C, Cavarelli, J, Tomasetto, C, Alpy, F. | | Deposit date: | 2019-12-17 | | Release date: | 2020-11-18 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | FFAT motif phosphorylation controls formation and lipid transfer function of inter-organelle contacts.
Embo J., 39, 2020
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1OWT
 | | Structure of the Alzheimer's disease amyloid precursor protein copper binding domain | | Descriptor: | Amyloid beta A4 protein | | Authors: | Barnham, K.J, McKinstry, W.J, Multhaup, G, Galatis, D, Morton, C.J, Curtain, C.C, Williamson, N.A, White, A.R, Hinds, M.G, Norton, R.S, Beyreuther, K, Masters, C.L, Parker, M.W, Cappai, R. | | Deposit date: | 2003-03-30 | | Release date: | 2003-05-13 | | Last modified: | 2022-02-23 | | Method: | SOLUTION NMR | | Cite: | Structure of the Alzheimer's Disease Amyloid Precursor Protein Copper Binding Domain. A REGULATOR OF NEURONAL COPPER HOMEOSTASIS.
J.Biol.Chem., 278, 2003
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6TQS
 | | The crystal structure of the MSP domain of human MOSPD2 in complex with the conventional FFAT motif of ORP1. | | Descriptor: | CHLORIDE ION, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | | Authors: | McEwen, A.G, Poussin-Courmontagne, P, Di Mattia, T, Wendling, C, Cavarelli, J, Tomasetto, C, Alpy, F. | | Deposit date: | 2019-12-17 | | Release date: | 2020-11-18 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | FFAT motif phosphorylation controls formation and lipid transfer function of inter-organelle contacts.
Embo J., 39, 2020
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3SI8
 | | Human DNA polymerase eta - DNA ternary complex with the 5'T of a CPD in the active site (TT2) | | Descriptor: | (2R,3S,5R)-5-(6-amino-9H-purin-9-yl)-tetrahydro-2-(hydroxymethyl)furan-3-ol, 1,2-ETHANEDIOL, 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]adenosine, ... | | Authors: | Biertumpfel, C, Zhao, Y, Kondo, Y, Ramon-Maiques, S, Gregory, M, Lee, J.Y, Masutani, C, Lehmann, A.R, Hanaoka, F, Yang, W. | | Deposit date: | 2011-06-17 | | Release date: | 2011-08-03 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Structure and mechanism of human DNA polymerase eta.
Nature, 465, 2010
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7WG3
 | | Structural basis of interleukin-17B receptor in complex with a neutralizing antibody D9 for guiding humanization and affinity maturation for cancer therapy | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of D9 Fab, IL17RB protein, ... | | Authors: | Lee, W.H, Chen, X.R, Liu, I.J, Lee, J.H, Hu, C.M, Wu, H.C, Wang, S.K, Lee, W.H, Ma, C. | | Deposit date: | 2021-12-28 | | Release date: | 2022-11-09 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.19 Å) | | Cite: | Structural basis of interleukin-17B receptor in complex with a neutralizing antibody for guiding humanization and affinity maturation.
Cell Rep, 41, 2022
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1V6K
 | | Peanut lectin-lactose complex in the presence of peptide(IWSSAGNVA) | | Descriptor: | CALCIUM ION, Galactose-binding lectin, MANGANESE (II) ION, ... | | Authors: | Kundhavai Natchiar, S, Arockia Jeyaprakash, A, Ramya, T.N.C, Thomas, C.J, Suguna, K, Surolia, A, Vijayan, M. | | Deposit date: | 2003-12-01 | | Release date: | 2004-02-10 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural plasticity of peanut lectin: an X-ray analysis involving variation in pH, ligand binding and crystal structure.
Acta Crystallogr.,Sect.D, 60, 2004
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