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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
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
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
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
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
4I4N
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BU of 4i4n by Molmil
Crystal Structure of the catalytic Cys to Ala mutant of VcHsp31 from Vibrio cholerae
Descriptor: Intracellular protease/amidase
Authors:Sen, U, Das, S.
Deposit date:2012-11-28
Release date:2013-12-04
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Structural and Functional studies on Hsp31 of Vibrio cholere: Identification of a novel glutamate that attenuates the peptidase activity
To be Published
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
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:2023-03-29
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
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
7DK1
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BU of 7dk1 by Molmil
Crystal structure of Zinc bound SARS-CoV-2 main protease
Descriptor: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3C-like proteinase, CHLORIDE ION, ...
Authors:Sonkar, K.S, Panchariya, L, Kuila, S, Khan, W.A, Arockiasamy, A.
Deposit date:2020-11-22
Release date:2021-06-30
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.902 Å)
Cite:Zinc 2+ ion inhibits SARS-CoV-2 main protease and viral replication in vitro.
Chem.Commun.(Camb.), 57, 2021
6SDG
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BU of 6sdg by Molmil
Crystal structure of the DNA binding domain of M. polymorpha Auxin Response Factor 2 (MpARF2) in complex with High Affinity DNA
Descriptor: 21-7_A, 21-7_B, Auxin response factor
Authors:Crespo, I, Weijers, D, Boer, D.R.
Deposit date:2019-07-27
Release date:2020-04-08
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.96 Å)
Cite:Design principles of a minimal auxin response system.
Nat.Plants, 6, 2020
8P03
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BU of 8p03 by Molmil
48S late-stage initiation complex with m6A mRNA
Descriptor: 18S ribosomal RNA, 40S ribosomal protein S11, 40S ribosomal protein S12, ...
Authors:Guca, E, Lima, L.H.F, Boissier, F, Hashem, Y.
Deposit date:2023-05-09
Release date:2024-03-20
Last modified:2024-04-24
Method:ELECTRON MICROSCOPY (3.04 Å)
Cite:N 6 -methyladenosine in 5' UTR does not promote translation initiation.
Mol.Cell, 84, 2024
8P09
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BU of 8p09 by Molmil
48S late-stage initiation complex with non methylated mRNA
Descriptor: 18S ribosomal RNA, 40S ribosomal protein S11, 40S ribosomal protein S12, ...
Authors:Guca, E, Lima, L.H.F, Boissier, F, Hashem, Y.
Deposit date:2023-05-09
Release date:2024-03-20
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:N 6 -methyladenosine in 5' UTR does not promote translation initiation.
Mol.Cell, 84, 2024
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
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
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
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
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

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