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1PMC
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BU of 1pmc by Molmil
PROTEINASE INHIBITOR PMP-C (NMR, 36 STRUCTURES)
Descriptor: PROTEINASE INHIBITOR PMP-C
Authors:Mer, G, Hietter, H, Lefevre, J.-F.
Deposit date:1995-09-17
Release date:1996-01-29
Last modified:2024-10-23
Method:SOLUTION NMR
Cite:Solution structure of PMP-C: a new fold in the group of small serine proteinase inhibitors.
J.Mol.Biol., 258, 1996
1DPU
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BU of 1dpu by Molmil
SOLUTION STRUCTURE OF THE C-TERMINAL DOMAIN OF HUMAN RPA32 COMPLEXED WITH UNG2(73-88)
Descriptor: REPLICATION PROTEIN A (RPA32) C-TERMINAL DOMAIN, URACIL DNA GLYCOSYLASE (UNG2)
Authors:Mer, G, Edwards, A.M, Chazin, W.J.
Deposit date:1999-12-27
Release date:2000-11-10
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Structural basis for the recognition of DNA repair proteins UNG2, XPA, and RAD52 by replication factor RPA.
Cell(Cambridge,Mass.), 103, 2000
4QO6
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BU of 4qo6 by Molmil
Structural studies of CdsD, a structural protein of the Type III secretion system (TTSS) of Chlamydia trachomatis
Descriptor: Adenylate cyclase-like protein, DI(HYDROXYETHYL)ETHER, ISOPROPYL ALCOHOL
Authors:Merilainen, G, Wierenga, R.K.
Deposit date:2014-06-19
Release date:2015-06-24
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:The extended structure of the periplasmic region of CdsD, a structural protein of the type III secretion system of Chlamydia trachomatis.
Protein Sci., 25, 2016
4QQ0
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BU of 4qq0 by Molmil
CdsD - The structural protein of the Type III secretion system of Chlamydia trachomatis: C-terminal domain
Descriptor: Adenylate cyclase-like protein, SULFATE ION
Authors:Merilainen, G, Wierenga, R.K.
Deposit date:2014-06-26
Release date:2015-07-01
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2 Å)
Cite:The extended structure of the periplasmic region of CdsD, a structural protein of the type III secretion system of Chlamydia trachomatis.
Protein Sci., 25, 2016
2WKT
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BU of 2wkt by Molmil
BIOSYNTHETIC THIOLASE FROM Z. RAMIGERA. COMPLEX OF THE N316A MUTANT WITH COENZYME A.
Descriptor: ACETYL-COA ACETYLTRANSFERASE, CHLORIDE ION, COENZYME A, ...
Authors:Merilainen, G, Poikela, V, Kursula, P, Wierenga, R.K.
Deposit date:2009-06-18
Release date:2009-11-03
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2 Å)
Cite:The Thiolase Reaction Mechanism: The Importance of Asn316 and His348 for Stabilizing the Enolate Intermediate of the Claisen Condensation.
Biochemistry, 48, 2009
2WL6
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BU of 2wl6 by Molmil
BIOSYNTHETIC THIOLASE FROM Z. RAMIGERA. THE N316H-H348N MUTANT.
Descriptor: ACETYL-COA ACETYLTRANSFERASE
Authors:Merilainen, G, Poikela, V, Kursula, P, Wierenga, R.K.
Deposit date:2009-06-22
Release date:2009-11-03
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.98 Å)
Cite:The Thiolase Reaction Mechanism: The Importance of Asn316 and His348 for Stabilizing the Enolate Intermediate of the Claisen Condensation.
Biochemistry, 48, 2009
2WKV
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BU of 2wkv by Molmil
BIOSYNTHETIC THIOLASE FROM Z. RAMIGERA. COMPLEX OF THE N316D MUTANT WITH COENZYME A.
Descriptor: ACETYL-COA ACETYLTRANSFERASE, COENZYME A, SODIUM ION, ...
Authors:Merilainen, G, Poikela, V, Kursula, P, Wierenga, R.K.
Deposit date:2009-06-18
Release date:2009-11-03
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:The Thiolase Reaction Mechanism: The Importance of Asn316 and His348 for Stabilizing the Enolate Intermediate of the Claisen Condensation.
Biochemistry, 48, 2009
2WL5
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BU of 2wl5 by Molmil
BIOSYNTHETIC THIOLASE FROM Z. RAMIGERA. COMPLEX OF THE H348N MUTANT WITH COENZYME A.
Descriptor: ACETYL-COA ACETYLTRANSFERASE, CHLORIDE ION, COENZYME A, ...
Authors:Merilainen, G, Poikela, V, Kursula, P, Wierenga, R.K.
Deposit date:2009-06-22
Release date:2009-11-03
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The Thiolase Reaction Mechanism: The Importance of Asn316 and His348 for Stabilizing the Enolate Intermediate of the Claisen Condensation.
Biochemistry, 48, 2009
2WKU
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BU of 2wku by Molmil
BIOSYNTHETIC THIOLASE FROM Z. RAMIGERA. THE N316H MUTANT.
Descriptor: ACETYL-COA ACETYLTRANSFERASE, D-mannose, SULFATE ION
Authors:Merilainen, G, Poikela, V, Kursula, P, Wierenga, R.K.
Deposit date:2009-06-18
Release date:2009-11-03
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The Thiolase Reaction Mechanism: The Importance of Asn316 and His348 for Stabilizing the Enolate Intermediate of the Claisen Condensation.
Biochemistry, 48, 2009
2WL4
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BU of 2wl4 by Molmil
BIOSYNTHETIC THIOLASE FROM Z. RAMIGERA. COMPLEX OF THE H348A MUTANT WITH COENZYME A.
Descriptor: ACETYL-COA ACETYLTRANSFERASE, CHLORIDE ION, COENZYME A, ...
Authors:Merilainen, G, Poikela, V, Kursula, P, Wierenga, R.K.
Deposit date:2009-06-22
Release date:2009-11-03
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The Thiolase Reaction Mechanism: The Importance of Asn316 and His348 for Stabilizing the Enolate Intermediate of the Claisen Condensation.
Biochemistry, 48, 2009
2K3Y
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BU of 2k3y by Molmil
Solution structure of EAF3 chromo barrel domain bound to histone h3 with a dimethyllysine analog H3K36ME2
Descriptor: Chromatin modification-related protein EAF3
Authors:Mer, G, Xu, C.
Deposit date:2008-05-19
Release date:2008-09-16
Last modified:2024-11-06
Method:SOLUTION NMR
Cite:Structural Basis for the Recognition of Methylated Histone H3K36 by the Eaf3 Subunit of Histone Deacetylase Complex Rpd3S.
Structure, 16, 2008
2K3X
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BU of 2k3x by Molmil
Solution structure of EAF3 chromo barrel domain
Descriptor: Chromatin modification-related protein EAF3
Authors:Mer, G, Xu, C.
Deposit date:2008-05-19
Release date:2008-09-16
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Structural Basis for the Recognition of Methylated Histone H3K36 by the Eaf3 Subunit of Histone Deacetylase Complex Rpd3S.
Structure, 16, 2008
2IG0
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BU of 2ig0 by Molmil
Structure of 53BP1/methylated histone peptide complex
Descriptor: Dimethylated Histone H4-K20 peptide, SULFATE ION, Tumor suppressor p53-binding protein 1
Authors:Mer, G.
Deposit date:2006-09-22
Release date:2007-01-02
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural Basis for the Methylation State-Specific Recognition of Histone H4-K20 by 53BP1 and Crb2 in DNA Repair.
Cell(Cambridge,Mass.), 127, 2006
2VU2
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BU of 2vu2 by Molmil
Biosynthetic thiolase from Z. ramigera. Complex with S-pantetheine-11- pivalate.
Descriptor: (3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-({3-oxo-3-[(2-sulfanylethyl)amino]propyl}amino)butyl 2,2-dimethylpropanoate, ACETYL-COA ACETYLTRANSFERASE, SULFATE ION
Authors:Kursula, P, Merilainen, G, Schmitz, W, Wierenga, R.K.
Deposit date:2008-05-19
Release date:2008-10-28
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:The Sulfur Atoms of the Substrate Coa and the Catalytic Cysteine are Required for a Productive Mode of Substrate Binding in Bacterial Biosynthetic Thiolase, a Thioester-Dependent Enzyme.
FEBS J., 275, 2008
2VTZ
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BU of 2vtz by Molmil
Biosynthetic thiolase from Z. ramigera. Complex of the C89A mutant with coenzyme A.
Descriptor: ACETYL-COA ACETYLTRANSFERASE, COENZYME A, SULFATE ION
Authors:Kursula, P, Merilainen, G, Wierenga, R.K.
Deposit date:2008-05-19
Release date:2008-10-28
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The Sulfur Atoms of the Substrate Coa and the Catalytic Cysteine are Required for a Productive Mode of Substrate Binding in Bacterial Biosynthetic Thiolase, a Thioester-Dependent Enzyme.
FEBS J., 275, 2008
5VEY
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BU of 5vey by Molmil
Solution NMR structure of histone H2A-H2B mono-ubiquitylated at H2A Lys15 in complex with RNF169 (653-708)
Descriptor: E3 ubiquitin-protein ligase RNF169, Histone H2B type 1-J,Histone H2A type 1-B/E, Polyubiquitin-B
Authors:Hu, Q, Botuyan, M.V, Cui, G, Mer, G.
Deposit date:2017-04-06
Release date:2017-05-17
Last modified:2024-10-09
Method:SOLUTION NMR
Cite:Mechanisms of Ubiquitin-Nucleosome Recognition and Regulation of 53BP1 Chromatin Recruitment by RNF168/169 and RAD18.
Mol. Cell, 66, 2017
5VX7
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BU of 5vx7 by Molmil
Solution NMR structure of the BRCT domain of S. cerevisiae Rev1
Descriptor: DNA repair protein REV1
Authors:Xu, C, Cui, G, Botuyan, M.V, Mer, G.
Deposit date:2017-05-23
Release date:2018-01-31
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Solution NMR structure of the BRCT domain of S. cerevisiae Rev1
To Be Published
8V9U
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BU of 8v9u by Molmil
Solution NMR structure of human DNMT1 N-terminal alpha-helical domain
Descriptor: DNA (cytosine-5)-methyltransferase 1
Authors:Hu, Q, Botuyan, M.V, Mer, G.
Deposit date:2023-12-09
Release date:2024-02-28
Last modified:2024-06-05
Method:SOLUTION NMR
Cite:Identification of a conserved alpha-helical domain at the N terminus of human DNA methyltransferase 1.
J.Biol.Chem., 300, 2024
2LVM
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BU of 2lvm by Molmil
Solution structure of human 53BP1 tandem Tudor domains in complex with a histone H4K20me2 peptide
Descriptor: Histone H4, Tumor suppressor p53-binding protein 1
Authors:Cui, G, Botuyan, M, Mer, G.
Deposit date:2012-07-07
Release date:2012-12-12
Last modified:2013-04-03
Method:SOLUTION NMR
Cite:Acetylation limits 53BP1 association with damaged chromatin to promote homologous recombination.
Nat.Struct.Mol.Biol., 20, 2013
2LY1
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BU of 2ly1 by Molmil
NMR structure of the second and third lotus domains of tudor domain-containing protein 7 (NMR ensemble overlay for Lotus #2)
Descriptor: Tudor domain-containing protein 7
Authors:Cui, G, Botuyan, M, Mer, G.
Deposit date:2012-09-10
Release date:2013-09-11
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:NMR structure of the second and third lotus domains of tudor domain-containing protein 7
To be Published
2LY2
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BU of 2ly2 by Molmil
NMR structure of the second and third lotus domains of tudor domain-containing protein 7 (NMR ensemble overlay for Lotus #3)
Descriptor: Tudor domain-containing protein 7
Authors:Cui, G, Botuyan, M, Mer, G.
Deposit date:2012-09-10
Release date:2013-09-11
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:NMR structure of the second and third lotus domains of tudor domain-containing protein 7
To be Published
4UV9
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BU of 4uv9 by Molmil
LSD1(KDM1A)-CoREST in complex with 1-Ethyl-Tranylcypromine
Descriptor: LYSINE-SPECIFIC HISTONE DEMETHYLASE 1A, REST COREPRESSOR 1, [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3S,4S)-2,3,4-trihydroxy-5-[(4aS,10aS)-4a-[(1S,3E)-3-imino-1-phenylpentyl]-7,8-dimethyl-2,4-dioxo-1,3,4,4a,5,10a-hexahydrobenzo[g]pteridin-10(2H)-yl]pentyl dihydrogen diphosphate
Authors:Vianello, P, Botrugno, O, Cappa, A, Ciossani, G, Dessanti, P, Mai, A, Mattevi, A, Meroni, G, Minucci, S, Thaler, F, Tortorici, M, Trifiro, P, Valente, S, Villa, M, Varasi, M, Mercurio, C.
Deposit date:2014-08-05
Release date:2014-09-10
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3 Å)
Cite:Synthesis, Biological Activity and Mechanistic Insights of 1-Substituted Cyclopropylamine Derivatives: A Novel Class of Irreversible Inhibitors of Histone Demethylase Kdm1A.
Eur.J.Med.Chem., 86C, 2014
6D0L
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BU of 6d0l by Molmil
Structure of human TIRR
Descriptor: Tudor-interacting repair regulator protein
Authors:Cui, G, Botuyan, M.V, Mer, G.
Deposit date:2018-04-10
Release date:2018-06-06
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Mechanism of 53BP1 activity regulation by RNA-binding TIRR and a designer protein.
Nat. Struct. Mol. Biol., 25, 2018
2B02
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BU of 2b02 by Molmil
Crystal Structure of ARNT PAS-B Domain
Descriptor: Aryl hydrocarbon receptor nuclear translocator
Authors:Lee, J, Botuyan, M.V, Nomine, Y, Ohh, M, Thompson, J.R, Mer, G.
Deposit date:2005-09-12
Release date:2006-10-24
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystal Structure and Binding Properties of ARNT PAS-B Heterodimerization Domain
To be Published
4UV8
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BU of 4uv8 by Molmil
LSD1(KDM1A)-CoREST in complex with 1-Benzyl-Tranylcypromine
Descriptor: LYSINE-SPECIFIC HISTONE DEMETHYLASE 1A, REST COREPRESSOR 1, [[(2R,3S,4S)-5-[(4aS,10aS)-4a-[(1S)-3-azanylidene-1,4-diphenyl-butyl]-7,8-dimethyl-2,4-bis(oxidanylidene)-5,10a-dihydro-1H-benzo[g]pteridin-10-yl]-2,3,4-tris(oxidanyl)pentoxy]-oxidanyl-phosphoryl] [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate
Authors:Vianello, P, Botrugno, O, Cappa, A, Ciossani, G, Dessanti, P, Mai, A, Mattevi, A, Meroni, G, Minucci, S, Thaler, F, Tortorici, M, Trifiro, P, Valente, S, Villa, M, Varasi, M, Mercurio, C.
Deposit date:2014-08-05
Release date:2014-09-10
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Synthesis, Biological Activity and Mechanistic Insights of 1-Substituted Cyclopropylamine Derivatives: A Novel Class of Irreversible Inhibitors of Histone Demethylase Kdm1A.
Eur.J.Med.Chem., 86C, 2014

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