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5SZU
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BU of 5szu by Molmil
Novel Structural Insights into GDP-Mediated Regulation of Acyl-CoA Thioesterases
Descriptor: Acyl-CoA hydrolase, 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 (2.8 Å)
Cite:Structural insights into GDP-mediated regulation of a bacterial acyl-CoA thioesterase.
J. Biol. Chem., 292, 2017
5T02
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BU of 5t02 by Molmil
Structural characterisation of mutant Asp39Ala of thioesterase (NmACH) from Neisseria meningitidis
Descriptor: Acyl-CoA hydrolase, CHLORIDE ION, COENZYME A, ...
Authors:Khandokar, Y.B, Srivastava, P, Forwood, J.K.
Deposit date:2016-08-15
Release date:2016-09-07
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural insights into GDP-mediated regulation of a bacterial acyl-CoA thioesterase.
J. Biol. Chem., 292, 2017
5SZZ
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BU of 5szz by Molmil
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 (2.3 Å)
Cite:Structural insights into GDP-mediated regulation of a bacterial acyl-CoA thioesterase.
J. Biol. Chem., 292, 2017
5SZV
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BU of 5szv by Molmil
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
5SZY
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BU of 5szy by Molmil
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
5V3A
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BU of 5v3a by Molmil
Novel Structural Insights into GDP-Mediated Regulation of Acyl-CoA Thioesterases
Descriptor: Acyl-CoA hydrolase, COENZYME A, GUANOSINE-5'-DIPHOSPHATE
Authors:Khandokar, Y.B, Srivastava, P, Forwood, J.K.
Deposit date:2017-03-06
Release date:2017-05-24
Last modified:2017-12-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural insights into GDP-mediated regulation of a bacterial acyl-CoA thioesterase.
J. Biol. Chem., 292, 2017
5XLW
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BU of 5xlw by Molmil
Mycobacterium tuberculosis Pantothenate kinase mutant F247A/F254A
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, PENTAETHYLENE GLYCOL, ...
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 (2.26 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
5XLV
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BU of 5xlv by Molmil
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
5XMB
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BU of 5xmb by Molmil
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
5YIY
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BU of 5yiy by Molmil
Crystal structure of D175A mutant of Rv3272 from Mycobacterium tuberculosis
Descriptor: CHLORIDE ION, CoA transferase
Authors:Karade, S.S, Pratap, J.V.
Deposit date:2017-10-06
Release date:2018-11-07
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.504 Å)
Cite:Rv3272 encodes a novel Family III CoA transferase that alters the cell wall lipid profile and protects mycobacteria from acidic and oxidative stress.
Biochim Biophys Acta Proteins Proteom, 1867, 2019
5YIT
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BU of 5yit by Molmil
Crystal Structure of Hypothetical protein (Rv3272) from Mycobacterium tuberculosis
Descriptor: CoA transferase III
Authors:Karade, S.S, Pratap, J.V.
Deposit date:2017-10-06
Release date:2018-11-07
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.79 Å)
Cite:Rv3272 encodes a novel Family III CoA transferase that alters the cell wall lipid profile and protects mycobacteria from acidic and oxidative stress.
Biochim Biophys Acta Proteins Proteom, 1867, 2019
5YX6
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BU of 5yx6 by Molmil
Crystal structure of Rv3272 from M. tuberculosis orthorhombic form
Descriptor: BENZAMIDINE, GLYCEROL, Uncharacterized protein Rv3272
Authors:Ansari, A, Shrimant, K.S, Venkatesh Pratap, J.
Deposit date:2017-12-01
Release date:2018-11-07
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Rv3272 encodes a novel Family III CoA transferase that alters the cell wall lipid profile and protects mycobacteria from acidic and oxidative stress.
Biochim Biophys Acta Proteins Proteom, 1867, 2019
3OP5
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BU of 3op5 by Molmil
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
4NXO
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BU of 4nxo by Molmil
Crystal Structure of Insulin Degrading Enzyme in complex with BDM44768
Descriptor: 1,2-ETHANEDIOL, 1,4-DIETHYLENE DIOXIDE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
Authors:Liang, W.G, Deprez, R, Deprez, B, Tang, W.
Deposit date:2013-12-09
Release date:2015-10-07
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.73 Å)
Cite:Catalytic site inhibition of insulin-degrading enzyme by a small molecule induces glucose intolerance in mice.
Nat Commun, 6, 2015
3MJW
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BU of 3mjw by Molmil
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
5WYE
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BU of 5wye by Molmil
Structure of gold nano particle-tagged VG16KRKP in Salmonella typhi LPS
Descriptor: Au-VG16KRKP
Authors:Ilyas, H, Bhunia, A.
Deposit date:2017-01-12
Release date:2017-11-15
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Multivalent gold nanoparticle-peptide conjugates for targeting intracellular bacterial infections
Nanoscale, 9, 2017
8ARL
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BU of 8arl by Molmil
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
4AYW
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BU of 4ayw by Molmil
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:2018-01-24
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
4AYX
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BU of 4ayx by Molmil
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
4AYT
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BU of 4ayt by Molmil
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
3MTL
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BU of 3mtl by Molmil
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
8SG6
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BU of 8sg6 by Molmil
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
8SM5
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BU of 8sm5 by Molmil
Crystal Structure of BHRF1 from Epstein Barr Virus in complex with BID BH3 peptide
Descriptor: Apoptosis regulator BHRF1, BID BH3
Authors:Wyatt, S, Sinha, S.
Deposit date:2023-04-25
Release date:2023-10-11
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.61002612 Å)
Cite:Epstein-Barr Virus Encoded BCL2, BHRF1, Downregulates Autophagy by Noncanonical Binding of BECN1.
Biochemistry, 62, 2023
2C30
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BU of 2c30 by Molmil
Crystal Structure Of The Human P21-Activated Kinase 6
Descriptor: CHLORIDE ION, PHOSPHATE ION, SERINE/THREONINE-PROTEIN KINASE PAK 6
Authors:Filippakopoulos, P, Berridge, G, Bray, J, Burgess, N, Colebrook, S, Das, S, Eswaran, J, Gileadi, O, Papagrigoriou, E, Savitsky, P, Smee, C, Turnbull, A, Sundstrom, M, Arrowsmith, C, Weigelt, J, Edwards, A, von Delft, F, Knapp, S.
Deposit date:2005-10-02
Release date:2006-02-08
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal Structures of the P21-Activated Kinases Pak4, Pak5, and Pak6 Reveal Catalytic Domain Plasticity of Active Group II Paks.
Structure, 15, 2007
2AHS
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BU of 2ahs by Molmil
Crystal Structure of the Catalytic Domain of Human Tyrosine Receptor Phosphatase Beta
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Receptor-type tyrosine-protein phosphatase beta, ...
Authors:Ugochukwu, E, Eswaran, J, Barr, A, Gileadi, O, Sobott, F, Burgess, N, Ball, L, Bray, J, von Delft, F, Debreczeni, J, Bunkoczi, G, Turnbull, A, Das, S, Weigelt, J, Edwards, A, Arrowsmith, C, Sundstrom, M, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2005-07-28
Release date:2005-08-09
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Large-scale structural analysis of the classical human protein tyrosine phosphatome.
Cell(Cambridge,Mass.), 136, 2009

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