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4O8T
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BU of 4o8t by Molmil
Structure of sortase A C207A mutant from Streptococcus pneumoniae
Descriptor: GLYCEROL, Sortase
Authors:Misra, A, Biswas, T, Das, S, Marathe, U, Roy, R.P, Ramakumar, S.
Deposit date:2013-12-30
Release date:2015-01-14
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.48 Å)
Cite:Structure of sortase A C207A mutant from Streptococcus pneumoniae
To be Published
6ULB
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BU of 6ulb by Molmil
Sex Hormone-binding globulin mutant E176K in complex with Danazol
Descriptor: CALCIUM ION, Danazol, Sex hormone-binding globulin
Authors:Round, P.W, Das, S, Van Petegem, F.
Deposit date:2019-10-07
Release date:2020-10-21
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structural and biochemical analyses of danazol interactions with sex hormone-binding globulin and effects on androgen action
To Be Published
2ZSA
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BU of 2zsa by Molmil
Pantothenate kinase from Mycobacterium tuberculosis (MtPanK) in complex with ADP and Phosphopantothenate
Descriptor: ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, GLYCEROL, ...
Authors:Chetnani, B, Das, S, Kumar, P, Surolia, A, Vijayan, M.
Deposit date:2008-09-04
Release date:2009-07-21
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Mycobacterium tuberculosis pantothenate kinase: possible changes in location of ligands during enzyme action
Acta Crystallogr.,Sect.D, 65, 2009
2ZSB
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BU of 2zsb by Molmil
Pantothenate kinase from Mycobacterium tuberculosis (MtPanK) in complex with ADP, obtained through soaking of native enzyme crystals with the ligand
Descriptor: ADENOSINE-5'-DIPHOSPHATE, GLYCEROL, Pantothenate kinase
Authors:Chetnani, B, Das, S, Kumar, P, Surolia, A, Vijayan, M.
Deposit date:2008-09-04
Release date:2009-07-21
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Mycobacterium tuberculosis pantothenate kinase: possible changes in location of ligands during enzyme action
Acta Crystallogr.,Sect.D, 65, 2009
2ZS9
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BU of 2zs9 by Molmil
Pantothenate kinase from Mycobacterium tuberculosis (MtPanK) in complex with ADP and Pantothenate
Descriptor: ADENOSINE-5'-DIPHOSPHATE, GLYCEROL, PANTOTHENOIC ACID, ...
Authors:Chetnani, B, Das, S, Kumar, P, Surolia, A, Vijayan, M.
Deposit date:2008-09-04
Release date:2009-07-21
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Mycobacterium tuberculosis pantothenate kinase: possible changes in location of ligands during enzyme action
Acta Crystallogr.,Sect.D, 65, 2009
2ZS8
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BU of 2zs8 by Molmil
Pantothenate kinase from Mycobacterium tuberculosis (MtPanK) co-crystallized with ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, GLYCEROL, Pantothenate kinase
Authors:Chetnani, B, Das, S, Kumar, P, Surolia, A, Vijayan, M.
Deposit date:2008-09-03
Release date:2009-07-21
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Mycobacterium tuberculosis pantothenate kinase: possible changes in location of ligands during enzyme action
Acta Crystallogr.,Sect.D, 65, 2009
2ZSF
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BU of 2zsf by Molmil
Pantothenate kinase from Mycobacterium tuberculosis (MtPanK) in complex with ATP and ADP
Descriptor: ACETATE ION, ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ...
Authors:Chetnani, B, Das, S, Kumar, P, Surolia, A, Vijayan, M.
Deposit date:2008-09-05
Release date:2009-07-21
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Mycobacterium tuberculosis pantothenate kinase: possible changes in location of ligands during enzyme action
Acta Crystallogr.,Sect.D, 65, 2009
2ZSE
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BU of 2zse by Molmil
Pantothenate kinase from Mycobacterium tuberculosis (MtPanK) in complex with AMPPCP and Pantothenate
Descriptor: 1,2-ETHANEDIOL, CITRATE ANION, GLYCEROL, ...
Authors:Chetnani, B, Das, S, Kumar, P, Surolia, A, Vijayan, M.
Deposit date:2008-09-05
Release date:2009-07-21
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Mycobacterium tuberculosis pantothenate kinase: possible changes in location of ligands during enzyme action
Acta Crystallogr.,Sect.D, 65, 2009
2ZSD
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BU of 2zsd by Molmil
Pantothenate kinase from Mycobacterium tuberculosis (MtPanK) in complex with Coenzyme A
Descriptor: 1,2-ETHANEDIOL, COENZYME A, GLYCEROL, ...
Authors:Chetnani, B, Das, S, Kumar, P, Surolia, A, Vijayan, M.
Deposit date:2008-09-05
Release date:2009-07-21
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Mycobacterium tuberculosis pantothenate kinase: possible changes in location of ligands during enzyme action
Acta Crystallogr.,Sect.D, 65, 2009
2ZS7
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BU of 2zs7 by Molmil
Pantothenate kinase from Mycobacterium tuberculosis (MtPanK) in complex with citrate anion
Descriptor: CITRATE ANION, GLYCEROL, Pantothenate kinase, ...
Authors:Chetnani, B, Das, S, Kumar, P, Surolia, A, Vijayan, M.
Deposit date:2008-09-03
Release date:2009-07-21
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Mycobacterium tuberculosis pantothenate kinase: possible changes in location of ligands during enzyme action
Acta Crystallogr.,Sect.D, 65, 2009
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
6WWB
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BU of 6wwb by Molmil
Crystal Structure of the second bromodomain of human BRD2 in complex with the compound 3b
Descriptor: 1,2-ETHANEDIOL, 2-((S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl)-N-((1-(4-(2-((2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindolin-4-yl)amino)acetamido)butyl)-1H-1,2,3-triazol-4-yl)methyl)acetamide, Bromodomain-containing protein 2
Authors:White, S.W, Yun, M.
Deposit date:2020-05-08
Release date:2021-11-17
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.31 Å)
Cite:Phenyl-Glutarimides: Alternative Cereblon Binders for the Design of PROTACs.
Angew.Chem.Int.Ed.Engl., 60, 2021
2QEP
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BU of 2qep by Molmil
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
6DDJ
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BU of 6ddj by Molmil
Crystal Structure of the human BRD2 BD2 bromodimain in complex with a Tetrahydroquinoline analogue
Descriptor: 1,2-ETHANEDIOL, 4-{[(2S,4R)-1-acetyl-2-methyl-6-(1H-pyrazol-3-yl)-1,2,3,4-tetrahydroquinolin-4-yl]amino}benzonitrile, Bromodomain-containing protein 2
Authors:White, S.W, Yun, M.
Deposit date:2018-05-10
Release date:2019-11-13
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:Bromodomain-Selective BET Inhibitors Are Potent Antitumor Agents against MYC-Driven Pediatric Cancer.
Cancer Res., 80, 2020
7SWY
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BU of 7swy by Molmil
2.6 A structure of a 40-601[TA-rich+1]-40 nucleosome
Descriptor: DNA Guide Strand, DNA Tracking Strand, Histone H2A, ...
Authors:Nodelman, I.M, Bowman, G.D, Armache, J.-P.
Deposit date:2021-11-21
Release date:2022-03-02
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (2.6 Å)
Cite:Nucleosome recognition and DNA distortion by the Chd1 remodeler in a nucleotide-free state.
Nat.Struct.Mol.Biol., 29, 2022
7TN2
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BU of 7tn2 by Molmil
Composite model of a Chd1-nucleosome complex in the nucleotide-free state derived from 2.3A and 2.7A Cryo-EM maps
Descriptor: Chromo domain-containing protein 1, DNA Lagging Strand, DNA Tracking Strand, ...
Authors:Nodelman, I.M, Bowman, G.D, Armache, J.-P.
Deposit date:2022-01-20
Release date:2022-03-02
Last modified:2024-02-21
Method:ELECTRON MICROSCOPY (2.3 Å)
Cite:Nucleosome recognition and DNA distortion by the Chd1 remodeler in a nucleotide-free state.
Nat.Struct.Mol.Biol., 29, 2022
2MI1
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BU of 2mi1 by Molmil
Somatostatin-14 solution structure in 5% D-mannitol
Descriptor: Somatostatin-14
Authors:Anoop, A, Ranganathan, S, Pratihar, S.
Deposit date:2013-12-08
Release date:2014-05-07
Last modified:2023-11-15
Method:SOLUTION NMR
Cite:Elucidating the role of disulfide bond on amyloid formation and fibril reversibility of somatostatin-14: relevance to its storage and secretion.
J.Biol.Chem., 289, 2014
6YFY
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BU of 6yfy by Molmil
Solid-state NMR structure of the D-Arg4,L10-teixobactin - Lipid II complex in lipid bilayers.
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-N-acetyl-alpha-muramic acid, 3-methylbut-2-en-1-ol, D-Arg4,Leu10-Teixobactin, ...
Authors:Weingarth, M.H, Shukla, R.
Deposit date:2020-03-26
Release date:2020-06-10
Last modified:2023-11-15
Method:SOLID-STATE NMR
Cite:Mode of action of teixobactins in cellular membranes.
Nat Commun, 11, 2020
6CHZ
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BU of 6chz by Molmil
Estrogen Receptor Alpha Y537S bound to antagonist H3B-9224.
Descriptor: 1,2-ETHANEDIOL, 4-[(2-{4-[(1E)-1-(1H-indazol-5-yl)-2-phenylbut-1-en-1-yl]phenoxy}ethyl)amino]-N,N-dimethylbutanamide, Estrogen receptor
Authors:Larsen, N.A.
Deposit date:2018-02-23
Release date:2018-03-21
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Discovery of Selective Estrogen Receptor Covalent Antagonists for the Treatment of ER alphaWTand ER alphaMUTBreast Cancer.
Cancer Discov, 8, 2018
6CHW
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BU of 6chw by Molmil
Estrogen Receptor Alpha Y537S covalently bound to antagonist H3B-5942.
Descriptor: 1,2-ETHANEDIOL, 4-[(2-{4-[(1E)-1-(1H-indazol-5-yl)-2-phenylbut-1-en-1-yl]phenoxy}ethyl)amino]-N,N-dimethylbutanamide, DIMETHYL SULFOXIDE, ...
Authors:Larsen, N.A.
Deposit date:2018-02-23
Release date:2018-03-21
Last modified:2020-02-26
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Discovery of Selective Estrogen Receptor Covalent Antagonists for the Treatment of ER alphaWTand ER alphaMUTBreast Cancer.
Cancer Discov, 8, 2018
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
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
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

221051

数据于2024-06-12公开中

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