5SZY
 
 | | Novel Structural Insights into GDP-Mediated Regulation of Acyl-CoA Thioesterases | | Descriptor: | Acyl-CoA hydrolase, CHLORIDE ION, COENZYME A, ... | | Authors: | Khandokar, Y.B, Srivastava, P, Forwood, J.K. | | Deposit date: | 2016-08-15 | | Release date: | 2016-09-14 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural insights into GDP-mediated regulation of a bacterial acyl-CoA thioesterase.
J. Biol. Chem., 292, 2017
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5XLV
 | | Mycobacterium tuberculosis Pantothenate kinase mutant F254A | | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, Pantothenate kinase, ... | | Authors: | Paul, A, Kumar, P, Surolia, A, Vijayan, M. | | Deposit date: | 2017-05-11 | | Release date: | 2018-05-16 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Biochemical and structural studies of mutants indicate concerted movement of the dimer interface and ligand-binding region of Mycobacterium tuberculosis pantothenate kinase
Acta Crystallogr F Struct Biol Commun, 73, 2017
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5XMB
 | | Mycobacterium tuberculosis Pantothenate kinase mutant F247A | | Descriptor: | Pantothenate kinase, SULFATE ION | | Authors: | Paul, A, Kumar, P, Surolia, A, Vijayan, M. | | Deposit date: | 2017-05-13 | | Release date: | 2018-05-16 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Biochemical and structural studies of mutants indicate concerted movement of the dimer interface and ligand-binding region of Mycobacterium tuberculosis pantothenate kinase
Acta Crystallogr F Struct Biol Commun, 73, 2017
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7FDS
 | | High resolution crystal structure of LpqH from Mycobacterium tuberculosis | | Descriptor: | Lipoprotein LpqH | | Authors: | Kundapura, S.V, Chatterjee, S, Samanta, D, Ramagopal, U.A. | | Deposit date: | 2021-07-17 | | Release date: | 2021-12-15 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.258 Å) | | Cite: | High-resolution crystal structure of LpqH, an immunomodulatory surface lipoprotein of Mycobacterium tuberculosis reveals a distinct fold and a conserved cleft on its surface.
Int.J.Biol.Macromol., 210, 2022
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7KXI
 | | Structure of XL5-ligated hRpn13 Pru domain | | Descriptor: | 2-{[(2S)-2-cyano-3-{3-[(4-methylbenzene-1-carbonyl)amino]phenyl}propanoyl]amino}benzoic acid, Proteasomal ubiquitin receptor ADRM1 | | Authors: | Lu, X, Walters, K.J. | | Deposit date: | 2020-12-03 | | Release date: | 2021-12-15 | | Last modified: | 2021-12-29 | | Method: | SOLUTION NMR | | Cite: | Structure-guided bifunctional molecules hit a DEUBAD-lacking hRpn13 species upregulated in multiple myeloma.
Nat Commun, 12, 2021
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5YIY
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5YIT
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5YX6
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2IVX
 | | Crystal structure of human cyclin T2 at 1.8 A resolution | | Descriptor: | 1,2-ETHANEDIOL, CYCLIN-T2 | | Authors: | Debreczeni, J.E, Bullock, A.N, Fedorov, O, Savitsky, P, Berridge, G, Das, S, Pike, A.C.W, Turnbull, A, Ugochukwu, E, Papagrigoriou, E, Gorrec, F, Sundstrom, M, Edwards, A, Arrowsmith, C, Weigelt, J, von Delft, F, Knapp, S. | | Deposit date: | 2006-06-21 | | Release date: | 2006-07-19 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | The structure of P-TEFb (CDK9/cyclin T1), its complex with flavopiridol and regulation by phosphorylation.
EMBO J., 27, 2008
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2JJD
 | | Protein Tyrosine Phosphatase, Receptor Type, E isoform | | Descriptor: | CHLORIDE ION, RECEPTOR-TYPE TYROSINE-PROTEIN PHOSPHATASE EPSILON | | Authors: | Elkins, J.M, Ugochukwu, E, Alfano, I, Barr, A.J, Bunkoczi, G, King, O.N.F, Filippakopoulos, P, Savitsky, P, Salah, E, Pike, A, Johansson, C, Das, S, Burgess-Brown, N.A, Gileadi, O, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Knapp, S. | | Deposit date: | 2008-03-31 | | Release date: | 2008-04-08 | | Last modified: | 2012-06-06 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Large-Scale Structural Analysis of the Classical Human Protein Tyrosine Phosphatome.
Cell(Cambridge,Mass.), 136, 2009
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7WVL
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2PA5
 | | Crystal structure of human protein tyrosine phosphatase PTPN9 | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, THIOCYANATE ION, ... | | Authors: | Ugochukwu, E, Barr, A, Pike, A.C.W, Savitsky, P, Papagrigoriou, E, Turnbull, A, Uppenberg, J, Bunkoczi, G, Salah, E, Das, S, von Delft, F, Sundstrom, M, Arrowsmith, C.H, Weigelt, J, Edwards, A, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2007-03-27 | | Release date: | 2007-05-15 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Large-scale structural analysis of the classical human protein tyrosine phosphatome.
Cell(Cambridge,Mass.), 136, 2009
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7XKY
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3OP5
 | | Human vaccinia-related kinase 1 | | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, Serine/threonine-protein kinase VRK1, ... | | Authors: | Allerston, C.K, Uttarkar, S, Savitsky, P, Elkins, J.M, Filippakopoulos, P, Krojer, T, Rellos, P, Fedorov, O, Eswaran, J, Brenner, B, Keates, T, Das, S, King, O, Chalk, R, Berridge, G, von Delft, F, Gileadi, O, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2010-08-31 | | Release date: | 2010-09-22 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural characterization of human Vaccinia-Related Kinases (VRK) bound to small-molecule inhibitors identifies different P-loop conformations.
Sci Rep, 7, 2017
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2QEP
 | | Crystal structure of the D1 domain of PTPRN2 (IA2beta) | | Descriptor: | CHLORIDE ION, Receptor-type tyrosine-protein phosphatase N2 | | Authors: | Ugochukwu, E, Barr, A, Alfano, I, Berridge, G, Burgess-Brown, N, Das, S, Fedorov, O, King, O, Niesen, F, Watt, S, Savitsky, P, Salah, E, Pike, A.C.W, Bunkoczi, G, von Delft, F, Sundstrom, M, Edwards, A, Arrowsmith, C.H, Weigelt, J, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2007-06-26 | | Release date: | 2007-07-24 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Large-scale structural analysis of the classical human protein tyrosine phosphatome.
Cell(Cambridge,Mass.), 136, 2009
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4AYW
 | | STRUCTURE OF THE HUMAN MITOCHONDRIAL ABC TRANSPORTER, ABCB10 (PLATE FORM) | | Descriptor: | ATP-BINDING CASSETTE SUB-FAMILY B MEMBER 10, CHOLESTEROL HEMISUCCINATE, DODECYL-BETA-D-MALTOSIDE, ... | | Authors: | Pike, A.C.W, Shintre, C.A, Li, Q, Kim, J, von Delft, F, Barr, A.J, Das, S, Chaikuad, A, Xia, X, Quigley, A, Dong, Y, Dong, L, Krojer, T, Vollmar, M, Muniz, J.R.C, Bray, J.E, Berridge, G, Chalk, R, Gileadi, O, Burgess-Brown, N, Shrestha, L, Goubin, S, Yang, J, Mahajan, P, Mukhopadhyay, S, Bullock, A.N, Arrowsmith, C.H, Weigelt, J, Bountra, C, Edwards, A.M, Carpenter, E.P. | | Deposit date: | 2012-06-22 | | Release date: | 2012-07-11 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Structures of Abcb10, a Human ATP-Binding Cassette Transporter in Apo- and Nucleotide-Bound States
Proc.Natl.Acad.Sci.USA, 110, 2013
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4AYT
 | | STRUCTURE OF THE HUMAN MITOCHONDRIAL ABC TRANSPORTER, ABCB10 | | Descriptor: | ATP-BINDING CASSETTE SUB-FAMILY B MEMBER 10 MITOCHONDRIAL, CARDIOLIPIN, DODECYL-BETA-D-MALTOSIDE, ... | | Authors: | Pike, A.C.W, Shintre, C.A, Li, Q, Kim, J, von Delft, F, Barr, A.J, Das, S, Chaikuad, A, Xia, X, Quigley, A, Dong, Y, Dong, L, Krojer, T, Vollmar, M, Muniz, J.R.C, Bray, J.E, Berridge, G, Chalk, R, Gileadi, O, Burgess-Brown, N, Shrestha, L, Goubin, S, Yang, J, Mahajan, P, Mukhopadhyay, S, Bullock, A.N, Arrowsmith, C.H, Weigelt, J, Bountra, C, Edwards, A.M, Carpenter, E.P. | | Deposit date: | 2012-06-22 | | Release date: | 2012-07-11 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | Structures of Abcb10, a Human ATP-Binding Cassette Transporter in Apo- and Nucleotide-Bound States
Proc.Natl.Acad.Sci.USA, 110, 2013
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4AYX
 | | STRUCTURE OF THE HUMAN MITOCHONDRIAL ABC TRANSPORTER, ABCB10 (ROD FORM B) | | Descriptor: | ATP-BINDING CASSETTE SUB-FAMILY B MEMBER 10, CARDIOLIPIN, DODECYL-BETA-D-MALTOSIDE, ... | | Authors: | Pike, A.C.W, Shintre, C.A, Li, Q, Kim, J, von Delft, F, Barr, A.J, Das, S, Chaikuad, A, Xia, X, Quigley, A, Dong, Y, Dong, L, Krojer, T, Vollmar, M, Muniz, J.R.C, Bray, J.E, Berridge, G, Chalk, R, Gileadi, O, Burgess-Brown, N, Shrestha, L, Goubin, S, Yang, J, Mahajan, P, Mukhopadhyay, S, Bullock, A.N, Arrowsmith, C.H, Weigelt, J, Bountra, C, Edwards, A.M, Carpenter, E.P. | | Deposit date: | 2012-06-22 | | Release date: | 2012-07-11 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Structures of Abcb10, a Human ATP-Binding Cassette Transporter in Apo- and Nucleotide-Bound States
Proc.Natl.Acad.Sci.USA, 110, 2013
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3MJW
 | | PI3 Kinase gamma with a benzofuranone inhibitor | | Descriptor: | (2Z)-4,6-dihydroxy-2-[(8-methoxy-1,2,3,4-tetrahydropyrazino[1,2-a]indol-10-yl)methylidene]-1-benzofuran-3(2H)-one, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | | Authors: | Bard, J, Svenson, K. | | Deposit date: | 2010-04-13 | | Release date: | 2010-06-09 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.87 Å) | | Cite: | 5-Ureidobenzofuranone indoles as potent and efficacious inhibitors of PI3 kinase-alpha and mTOR for the treatment of breast cancer.
Bioorg.Med.Chem.Lett., 20, 2010
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8SG6
 | | SARS-CoV-2 Main Protease (Mpro) H163A Mutant Reduced with 20mM TCEP | | Descriptor: | 3C-like proteinase nsp5, GLYCEROL | | Authors: | Tran, N, McLeod, M.J, Barwell, S, Kalyaanamoorthy, S, Ganesan, A, Holyoak, T. | | Deposit date: | 2023-04-11 | | Release date: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.49 Å) | | Cite: | The H163A mutation unravels an oxidized conformation of the SARS-CoV-2 main protease.
Nat Commun, 14, 2023
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8SM5
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3MTL
 | | Crystal structure of the PCTAIRE1 kinase in complex with Indirubin E804 | | Descriptor: | (2Z,3E)-2,3'-BIINDOLE-2',3(1H,1'H)-DIONE 3-{O-[(3R)-3,4-DIHYDROXYBUTYL]OXIME}, Cell division protein kinase 16 | | Authors: | Krojer, T, Sharpe, T.D, Roos, A, Savitsky, P, Amos, A, Ayinampudi, V, Berridge, G, Fedorov, O, Keates, T, Phillips, C, Burgess-Brown, N, Zhang, Y, Pike, A.C.W, Muniz, J, Vollmar, M, Thangaratnarajah, C, Rellos, P, Ugochukwu, E, Filippakopoulos, P, Yue, W, Das, S, von Delft, F, Edwards, A, Arrowsmith, C.H, Weigelt, J, Bountra, C, Knapp, S, Bullock, A, Structural Genomics Consortium (SGC) | | Deposit date: | 2010-04-30 | | Release date: | 2010-06-09 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structure and inhibitor specificity of the PCTAIRE-family kinase CDK16.
Biochem.J., 474, 2017
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8ARL
 | | Plasmodium vivax PVP01_0000100 TRAg domain | | Descriptor: | Tryptophan-rich antigen | | Authors: | Kundu, P, Deane, J.E, Rayner, J.C. | | Deposit date: | 2022-08-17 | | Release date: | 2023-07-26 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | The structure of a Plasmodium vivax Tryptophan Rich Antigen domain suggests a lipid binding function for a pan-Plasmodium multi-gene family.
Nat Commun, 14, 2023
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6MIH
 | | Crystal structure of host-guest complex with PC hachimoji DNA | | Descriptor: | DNA (5'-D(*CP*TP*TP*AP*(1WA)P*CP*(DB)P*T)-3'), DNA (5'-D(P*AP*(DS)P*GP*(1W5)P*TP*AP*AP*G)-3'), N-terminal fragment of MMLV reverse transcriptase | | Authors: | Georgiadis, M.M. | | Deposit date: | 2018-09-19 | | Release date: | 2019-02-27 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Hachimoji DNA and RNA: A genetic system with eight building blocks.
Science, 363, 2019
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6MIG
 | | Crystal structure of host-guest complex with PB hachimoji DNA | | Descriptor: | DNA (5'-D(*CP*TP*TP*AP*TP*(1WA)P*(1WA)P*(DS))-3'), DNA (5'-D(P*(DB)P*(1W5)P*(1W5)P*AP*TP*AP*AP*G)-3'), Gag-Pol polyprotein | | Authors: | Georgiadis, M.M. | | Deposit date: | 2018-09-19 | | Release date: | 2019-02-27 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Hachimoji DNA and RNA: A genetic system with eight building blocks.
Science, 363, 2019
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