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3KQO
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BU of 3kqo by Molmil
Crystal Structure of hPNMT in Complex AdoHcy and 6-Chloropurine
Descriptor: 6-chloro-9H-purine, Phenylethanolamine N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE
Authors:Drinkwater, N, Martin, J.L.
Deposit date:2009-11-17
Release date:2010-09-29
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Fragment-based screening by X-ray crystallography, MS and isothermal titration calorimetry to identify PNMT (phenylethanolamine N-methyltransferase) inhibitors.
Biochem.J., 431, 2010
3KR1
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BU of 3kr1 by Molmil
Crystal Structure of hPNMT in Complex AdoHcy and 5-chloro-1H-benzo[d]imidazol-2-amine
Descriptor: 6-chloro-1H-benzimidazol-2-amine, Phenylethanolamine N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE
Authors:Drinkwater, N, Martin, J.L.
Deposit date:2009-11-17
Release date:2010-09-29
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Fragment-based screening by X-ray crystallography, MS and isothermal titration calorimetry to identify PNMT (phenylethanolamine N-methyltransferase) inhibitors.
Biochem.J., 431, 2010
5M7V
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BU of 5m7v by Molmil
Translation initiation factor 4E in complex with (RP)-m2(7,2'O)GppSpG mRNA 5' cap analog (beta-S-ARCA D1)
Descriptor: Eukaryotic translation initiation factor 4E, GLYCEROL, [(2~{R},3~{R},4~{R},5~{R})-5-(2-azanyl-7-methyl-6-oxidanylidene-1~{H}-purin-7-ium-9-yl)-4-methoxy-3-oxidanyl-oxolan-2-yl]methyl [phosphonooxy(sulfanyl)phosphoryl] hydrogen phosphate
Authors:Warminski, M, Nowak, E, Kowalska, J, Jemielity, J, Nowotny, M.
Deposit date:2016-10-28
Release date:2017-12-20
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Translation initiation factor 4E in complex with (RP)-m2(7,2'O)GppSpG mRNA 5' cap analog (beta-S-ARCA D1)
To Be Published
2QFA
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BU of 2qfa by Molmil
Crystal structure of a Survivin-Borealin-INCENP core complex
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Baculoviral IAP repeat-containing protein 5, Borealin, ...
Authors:Jeyaprakash, A.A, Klein, U.R, Lindner, D, Ebert, J, Nigg, E.A, Conti, E.
Deposit date:2007-06-27
Release date:2007-11-06
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structure of a Survivin-Borealin-INCENP Core Complex Reveals How Chromosomal Passengers Travel Together.
Cell(Cambridge,Mass.), 131, 2007
5M9Q
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BU of 5m9q by Molmil
Human angiogenin PD variant R95Q
Descriptor: Angiogenin, DI(HYDROXYETHYL)ETHER, SULFATE ION, ...
Authors:Bradshaw, W.J, Rehman, S, Pham, T.T.K, Thiyagarajan, N, Lee, R.L, Subramanian, V, Acharya, K.R.
Deposit date:2016-11-02
Release date:2017-02-22
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Structural insights into human angiogenin variants implicated in Parkinson's disease and Amyotrophic Lateral Sclerosis.
Sci Rep, 7, 2017
2QFH
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BU of 2qfh by Molmil
Solution Structure of the C-terminal SCR-16/20 fragment of Complement Factor H.
Descriptor: Complement factor H
Authors:Okemefuna, A.I, Gilbert, H.E, Griggs, K.M, Ormsby, R.J, Gordon, D.L, Perkins, S.J.
Deposit date:2007-06-27
Release date:2007-09-25
Last modified:2024-02-21
Method:SOLUTION SCATTERING
Cite:The regulatory SCR-1/5 and cell surface-binding SCR-16/20 fragments of factor H reveal partially folded-back solution structures and different self-associative properties.
J.Mol.Biol., 375, 2008
5M84
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Translation initiation factor 4E in complex with (SP)-m2(7,2'O)GppSpA mRNA 5' cap analog
Descriptor: Eukaryotic translation initiation factor 4E, GLYCEROL, [[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-sulfanyl-phosphoryl] [(2~{R},3~{R},4~{R},5~{R})-5-(2-azanyl-7-methyl-6-oxidanyl-purin-7-ium-9-yl)-4-methoxy-3-oxidanyl-oxolan-2-yl]methyl hydrogen phosphate
Authors:Warminski, M, Nowak, E, Kowalska, J, Jemielity, J, Nowotny, M.
Deposit date:2016-10-28
Release date:2017-12-20
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Translation initiation factor 4E in complex with (SP)-m2(7,2'O)GppSpA mRNA 5' cap analog
To Be Published
3GWS
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BU of 3gws by Molmil
Crystal Structure of T3-Bound Thyroid Hormone Receptor
Descriptor: 3,5,3'TRIIODOTHYRONINE, Thyroid hormone receptor beta
Authors:Nascimento, A.S, Dias, S.M.G, Nunes, F.M, Aparicio, R, Polikarpov, I, Baxter, J.D, Webb, P.
Deposit date:2009-04-01
Release date:2009-04-28
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural rearrangements in the thyroid hormone receptor hinge domain and their putative role in the receptor function
J.Mol.Biol., 360, 2006
5M9T
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BU of 5m9t by Molmil
Human angiogenin ALS variant H114R
Descriptor: Angiogenin, BORATE ION, GLYCEROL
Authors:Bradshaw, W.J, Rehman, S, Pham, T.T.K, Thiyagarajan, N, Lee, R.L, Subramanian, V, Acharya, K.R.
Deposit date:2016-11-02
Release date:2017-02-22
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural insights into human angiogenin variants implicated in Parkinson's disease and Amyotrophic Lateral Sclerosis.
Sci Rep, 7, 2017
3GMH
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BU of 3gmh by Molmil
Crystal Structure of the Mad2 Dimer
Descriptor: Mitotic spindle assembly checkpoint protein MAD2A, SULFATE ION
Authors:Ozkan, E, Luo, X, Machius, M, Yu, H, Deisenhofer, J.
Deposit date:2009-03-13
Release date:2010-11-17
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (3.95 Å)
Cite:Structure of an intermediate conformer of the spindle checkpoint protein Mad2.
Proc.Natl.Acad.Sci.USA, 112, 2015
3L1Y
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BU of 3l1y by Molmil
Crystal structure of human UBC4 E2 conjugating enzyme
Descriptor: Ubiquitin-conjugating enzyme E2 D2
Authors:Benirschke, R, Thompson, J.R, Mer, G.
Deposit date:2009-12-14
Release date:2010-05-05
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Molecular Basis for the Association of Human E4B U Box Ubiquitin Ligase with E2-Conjugating Enzymes UbcH5c and Ubc4.
Structure, 18, 2010
5MLI
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BU of 5mli by Molmil
N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH 4-chloro-2-methyl-5-(methylamino)pyridazin-3(2H)-one
Descriptor: 4-chloranyl-2-methyl-5-(methylamino)pyridazin-3-one, Bromodomain-containing protein 4
Authors:Chung, C.-W.
Deposit date:2016-12-06
Release date:2017-12-20
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Discovery of a Potent, Cell Penetrant, and Selective p300/CBP-Associated Factor (PCAF)/General Control Nonderepressible 5 (GCN5) Bromodomain Chemical Probe.
J. Med. Chem., 60, 2017
5MLU
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BU of 5mlu by Molmil
Crystal structure of the PFV GAG CBS bound to a mononucleosome
Descriptor: DNA (145-MER), Histone H2A type 1, Histone H2B, ...
Authors:Pye, V.E, Maskell, D.P, Lesbats, P, Cherepanov, P.
Deposit date:2016-12-07
Release date:2017-05-10
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural basis for spumavirus GAG tethering to chromatin.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
1J1A
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BU of 1j1a by Molmil
PANCREATIC SECRETORY PHOSPHOLIPASE A2 (IIa) WITH ANTI-INFLAMMATORY ACTIVITY
Descriptor: (S)-5-(4-BENZYLOXY-PHENYL)-4-(7-PHENYL-HEPTANOYLAMINO)-PENTANOIC ACID, CALCIUM ION, Phospholipase A2
Authors:Hansford, K.A, Reid, R.C, Clark, C.I, Tyndall, J.D.A, Whitehouse, M.W, Guthrie, T, McGeary, R.P, Schafer, K, Martin, J.L, Fairlie, D.P.
Deposit date:2002-12-03
Release date:2003-03-18
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:D-Tyrosine as a Chiral Precusor to Potent Inhibitors of Human Nonpancreatic Secretory Phospholipase A2 (IIa) with Antiinflammatory Activity
Chembiochem, 4, 2003
3GM1
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BU of 3gm1 by Molmil
Crystal Structure of the Focal Adhesion Targeting (FAT) Domain of Pyk2 in Complex with Paxillin LD4 Motif-Derived Peptides
Descriptor: Paxillin, Protein tyrosine kinase 2 beta
Authors:Lulo, J.E, Yuzawa, S, Schlessinger, J.
Deposit date:2009-03-12
Release date:2009-05-05
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Crystal structures of free and ligand-bound focal adhesion targeting domain of Pyk2
Biochem.Biophys.Res.Commun., 383, 2009
5MTV
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BU of 5mtv by Molmil
Active structure of EHD4 complexed with ATP-gamma-S
Descriptor: EH domain-containing protein 4, MAGNESIUM ION, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER
Authors:Melo, A.A, Daumke, O.
Deposit date:2017-01-10
Release date:2017-03-08
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.79 Å)
Cite:Structural insights into the activation mechanism of dynamin-like EHD ATPases.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
3L6C
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BU of 3l6c by Molmil
X-ray crystal structure of rat serine racemase in complex with malonate a potent inhibitor
Descriptor: MALONATE ION, MANGANESE (II) ION, PYRIDOXAL-5'-PHOSPHATE, ...
Authors:Smith, M.A, Mack, V, Ebneth, A, Moraes, I, Felicetti, B, Wood, M, Schonfeld, D, Mather, O, Cesura, A, Barker, J.
Deposit date:2009-12-23
Release date:2010-01-26
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The structure of mammalian serine racemase: evidence for conformational changes upon inhibitor binding.
J.Biol.Chem., 285, 2010
5MOL
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BU of 5mol by Molmil
Human IgE-Fc crystal structure
Descriptor: 1,2-ETHANEDIOL, 2-(2-ETHOXYETHOXY)ETHANOL, 2-(2-METHOXYETHOXY)ETHANOL, ...
Authors:Dore, K.A, Davies, A.M, Drinkwater, N, Beavil, A.J, McDonnell, J.M, Sutton, B.J.
Deposit date:2016-12-14
Release date:2018-01-10
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Thermal sensitivity and flexibility of the C epsilon 3 domains in immunoglobulin E.
Biochim. Biophys. Acta, 1865, 2017
3GOK
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BU of 3gok by Molmil
Binding site mapping of protein ligands
Descriptor: 2-(2-QUINOLIN-3-YLPYRIDIN-4-YL)-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-C]PYRIDIN-4-ONE, MAP kinase-activated protein kinase 2
Authors:Scheich, C.
Deposit date:2009-03-19
Release date:2010-03-02
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Binding site mapping of protein ligands
To be published
3LRE
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BU of 3lre by Molmil
Crystal Structure Analysis of Human Kinesin-8 Motor Domain
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Kinesin-like protein KIF18A, MAGNESIUM ION
Authors:Brejc, K, Moores, C.A, Hartman, J.
Deposit date:2010-02-11
Release date:2010-11-10
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Insight into the molecular mechanism of the multitasking kinesin-8 motor.
Embo J., 29, 2010
3GQQ
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BU of 3gqq by Molmil
Crystal structure of the human retinal protein 4 (unc-119 homolog A). Northeast Structural Genomics Consortium target HR3066a
Descriptor: Protein unc-119 homolog A, UNKNOWN LIGAND
Authors:Vorobiev, S.M, Chen, Y, Seetharaman, J, Shastry, R, Foote, E.L, Ciccosanti, C, Sahdev, S, Xiao, R, Acton, T.B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG)
Deposit date:2009-03-24
Release date:2009-04-07
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.945 Å)
Cite:Crystal structure of the human retinal protein 4 (unc-119 homolog A).
To be Published
3GRO
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BU of 3gro by Molmil
Human palmitoyl-protein thioesterase 1
Descriptor: Palmitoyl-protein thioesterase 1, UNKNOWN ATOM OR ION
Authors:Dobrovetsky, E, Seitova, A, Tong, Y, Tempel, W, Dong, A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Bochkarev, A, Cossar, D, Park, H, Structural Genomics Consortium (SGC)
Deposit date:2009-03-26
Release date:2009-04-07
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.53 Å)
Cite:Human palmitoyl-protein thioesterase 1
To be Published
2QV4
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BU of 2qv4 by Molmil
Human pancreatic alpha-amylase complexed with nitrite and acarbose
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 4,6-dideoxy-4-{[(1S,4R,5R,6S)-4-{[alpha-D-glucopyranosyl-(1->4)-alpha-D-glucopyranosyl-(1->4)-alpha-D-glucopyranosyl]oxy}-5,6-dihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose, CALCIUM ION, ...
Authors:Williams, L.K, Maurus, R, Brayer, G.D.
Deposit date:2007-08-07
Release date:2008-03-25
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Alternative catalytic anions differentially modulate human alpha-amylase activity and specificity
Biochemistry, 47, 2008
2QRV
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BU of 2qrv by Molmil
Structure of Dnmt3a-Dnmt3L C-terminal domain complex
Descriptor: DNA (cytosine-5)-methyltransferase 3-like, DNA (cytosine-5)-methyltransferase 3A, S-ADENOSYL-L-HOMOCYSTEINE
Authors:Jia, D, Cheng, X.
Deposit date:2007-07-29
Release date:2007-12-04
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.89 Å)
Cite:Structure of Dnmt3a bound to Dnmt3L suggests a model for de novo DNA methylation.
Nature, 449, 2007
2QYF
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BU of 2qyf by Molmil
Crystal structure of the Mad2/p31(comet)/Mad2-binding peptide ternary complex
Descriptor: MAD2L1-binding protein, Mitotic spindle assembly checkpoint protein MAD2A, peptide
Authors:Tomchick, D.R, Luo, X.
Deposit date:2007-08-14
Release date:2008-01-29
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:p31comet blocks Mad2 activation through structural mimicry.
Cell(Cambridge,Mass.), 131, 2007

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