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1HI7
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BU of 1hi7 by Molmil
NMR SOLUTION STRUCTURE OF THE DISULPHIDE-LINKED HOMODIMER OF HUMAN TFF1, 10 STRUCTURES
Descriptor: PS2 PROTEIN
Authors:Williams, M.A, Feeney, J.
Deposit date:2001-01-03
Release date:2001-01-03
Last modified:2024-10-09
Method:SOLUTION NMR
Cite:The Solution Structure of the Disulphide-Linked Dimeric of the Human Trefoil Protein Tff1
FEBS Lett., 493, 2001
5M7M
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BU of 5m7m by Molmil
Novel Imidazo[1,2-a]pyridine Derivatives with Potent Autotaxin/ENPP2 Inhibitor Activity
Descriptor: CHLORIDE ION, Ectonucleotide pyrophosphatase/phosphodiesterase family member 2, IODIDE ION, ...
Authors:Wolhkoning, A, Fleury, D, Leonard, P, Triballeau, N, Mollat, P, Vercheval, L.
Deposit date:2016-10-28
Release date:2017-08-30
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Discovery, Structure-Activity Relationship, and Binding Mode of an Imidazo[1,2-a]pyridine Series of Autotaxin Inhibitors.
J. Med. Chem., 60, 2017
5MRG
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BU of 5mrg by Molmil
Solution structure of TDP-43 (residues 1-102)
Descriptor: TAR DNA-binding protein 43
Authors:Mompean, M, Romano, V, Pantoja-Uceda, D, Stuani, C, Baralle, F.E, Laurents, D.V.
Deposit date:2016-12-22
Release date:2017-06-07
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Point mutations in the N-terminal domain of transactive response DNA-binding protein 43 kDa (TDP-43) compromise its stability, dimerization, and functions.
J. Biol. Chem., 292, 2017
5M7X
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BU of 5m7x by Molmil
Translation initiation factor 4E in complex with (RP)-m2(7,2'O)GppSepG mRNA 5' cap analog (beta-Se-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(selanyl)phosphoryl] hydrogen phosphate
Authors:Warminski, M, Nowak, E, Kowalska, J, Jemielity, J, Nowotny, M.
Deposit date:2016-10-28
Release date:2017-11-29
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Translation initiation factor 4E in complex with (RP)-m2(7,2'O)GppSepG mRNA 5' cap analog (beta-Se-ARCA D1)
To Be Published
1IHZ
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BU of 1ihz by Molmil
Structure of S. nuclease mutant quintuple mutant V23L/V66L/I72L/I92L/V99L
Descriptor: STAPHYLOCOCCAL NUCLEASE
Authors:Chen, J, Lu, Z, Sakon, J, Stites, W.E.
Deposit date:2001-04-20
Release date:2003-06-17
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Proteins with simplified hydrophobic cores compared to other packing mutants.
Biophys.Chem., 110, 2004
5M9A
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BU of 5m9a by Molmil
Human angiogenin PD variant H13R
Descriptor: Angiogenin, D(-)-TARTARIC ACID
Authors:Bradshaw, W.J, Rehman, S, Pham, T.T.K, Thiyagarajan, N, Lee, R.L, Subramanian, V, Acharya, K.R.
Deposit date:2016-11-01
Release date:2017-02-22
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structural insights into human angiogenin variants implicated in Parkinson's disease and Amyotrophic Lateral Sclerosis.
Sci Rep, 7, 2017
5M9C
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BU of 5m9c by Molmil
Human angiogenin ALS variant K40R
Descriptor: Angiogenin, D(-)-TARTARIC ACID, DI(HYDROXYETHYL)ETHER
Authors:Bradshaw, W.J, Rehman, S, Pham, T.T.K, Thiyagarajan, N, Lee, R.L, Subramanian, V, Acharya, K.R.
Deposit date:2016-11-01
Release date:2017-02-22
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Structural insights into human angiogenin variants implicated in Parkinson's disease and Amyotrophic Lateral Sclerosis.
Sci Rep, 7, 2017
5M9J
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BU of 5m9j by Molmil
Human angiogenin PD variant K60E
Descriptor: Angiogenin, L(+)-TARTARIC ACID
Authors:Bradshaw, W.J, Rehman, S, Pham, T.T.K, Thiyagarajan, N, Lee, R.L, Subramanian, V, Acharya, K.R.
Deposit date:2016-11-01
Release date:2017-02-22
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural insights into human angiogenin variants implicated in Parkinson's disease and Amyotrophic Lateral Sclerosis.
Sci Rep, 7, 2017
1IN1
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BU of 1in1 by Molmil
NMR STRUCTURE OF HUMAN DNA LIGASE IIIALPHA BRCT DOMAIN
Descriptor: DNA LIGASE III
Authors:Krishnan, V.V, Thornton, K.H, Thelen, M.P, Cosman, M.
Deposit date:2001-05-11
Release date:2001-05-25
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Solution structure and backbone dynamics of the human DNA ligase IIIalpha BRCT domain
Biochemistry, 40, 2001
3KPV
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BU of 3kpv by Molmil
Crystal Structure of hPNMT in Complex AdoHcy and Adenine
Descriptor: ADENINE, 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 (2.4 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
3KQQ
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BU of 3kqq by Molmil
Crystal Structure of hPNMT in Complex AdoHcy and 2-Hydroxynicotinic acid
Descriptor: 2-oxo-1,2-dihydropyridine-3-carboxylic acid, 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 (2.5 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
3KQY
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BU of 3kqy by Molmil
Crystal Structure of hPNMT in Complex AdoHcy and 2-amino-1H-benzo[d]imidazol-7-ol
Descriptor: 2-amino-1H-benzimidazol-7-ol, 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:2024-10-16
Method:X-RAY DIFFRACTION (2.2 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
2QJB
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BU of 2qjb by Molmil
Crystal structure analysis of BMP-2 in complex with BMPR-IA variant IA/IB
Descriptor: Bone morphogenetic protein 2, Bone morphogenetic protein receptor type IA, CHLORIDE ION
Authors:Kotzsch, A, Mueller, T.D.
Deposit date:2007-07-06
Release date:2008-01-15
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure analysis of bone morphogenetic protein-2 type I receptor complexes reveals a mechanism of receptor inactivation in juvenile polyposis syndrome.
J.Biol.Chem., 283, 2008
3KVJ
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BU of 3kvj by Molmil
Crystal Structure of Human Dihydroorotate Dehydrogenase (DHODH) with Amino-Benzoic Acid Inhibitor 105 at 1.94A Resolution
Descriptor: (4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-4-CARBOXYLIC ACID, 2-[(cyclopropylcarbonyl)amino]-5-[methyl(pyridin-3-ylmethyl)amino]benzoic acid, ACETATE ION, ...
Authors:McLean, L, Zhang, Y.
Deposit date:2009-11-30
Release date:2010-03-02
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Discovery of novel inhibitors for DHODH via virtual screening and X-ray crystallographic structures.
Bioorg.Med.Chem.Lett., 20, 2010
3KRX
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BU of 3krx by Molmil
Human GRK2 in complex with Gbetgamma subunits and balanol (co-crystal)
Descriptor: BALANOL, Beta-adrenergic receptor kinase 1, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Tesmer, J.J.G, Tesmer, V.M.
Deposit date:2009-11-19
Release date:2010-02-16
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structure of human g protein-coupled receptor kinase 2 in complex with the kinase inhibitor balanol.
J.Med.Chem., 53, 2010
5MGK
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BU of 5mgk by Molmil
Crystal Structure of BAZ2A bromodomain in complex with 4-propionyl-pyrrole derivative 2
Descriptor: Bromodomain adjacent to zinc finger domain protein 2A, methyl 4-propanoyl-1~{H}-pyrrole-2-carboxylate
Authors:Lolli, G, Spiliotopoulos, D, Caflisch, A.
Deposit date:2016-11-21
Release date:2017-04-12
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.301 Å)
Cite:Discovery of BAZ2A bromodomain ligands.
Eur J Med Chem, 139, 2017
2QOH
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BU of 2qoh by Molmil
Crystal Structure of Abl kinase bound with PPY-A
Descriptor: 5-[3-(2-METHOXYPHENYL)-1H-PYRROLO[2,3-B]PYRIDIN-5-YL]-N,N-DIMETHYLPYRIDINE-3-CARBOXAMIDE, Proto-oncogene tyrosine-protein kinase ABL1
Authors:Zhou, T, Dalgarno, D, Zhu, X.
Deposit date:2007-07-20
Release date:2007-09-18
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Crystal Structure of the T315I Mutant of Abl Kinase
Chem.Biol.Drug Des., 70, 2007
3GN8
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BU of 3gn8 by Molmil
X-ray Crystal Structure of AncGR2 in Complex with Dexamethasone
Descriptor: DEXAMETHASONE, Glucocorticoid receptor 2, Nuclear receptor coactivator 2
Authors:Ortlund, E.A.
Deposit date:2009-03-16
Release date:2009-09-22
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:An epistatic ratchet constrains the direction of glucocorticoid receptor evolution
Nature, 461, 2009
3KXV
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BU of 3kxv by Molmil
Structure of complement Factor H variant Q1139A
Descriptor: Complement factor H, SULFATE ION
Authors:Bhattacharjee, A, Lehtinen, M.J, Kajander, T, Goldman, A, Jokiranta, T.S.
Deposit date:2009-12-04
Release date:2010-05-19
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.004 Å)
Cite:Both domain 19 and domain 20 of factor H are involved in binding to complement C3b and C3d
Mol.Immunol., 47, 2010
1IXT
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BU of 1ixt by Molmil
Structure of a Novel P-Superfamily Spasmodic Conotoxin Reveals an Inhibitory Cystine Knot Motif
Descriptor: spasmodic protein tx9a-like protein
Authors:Miles, L.A, Dy, C.Y, Nielsen, J, Barnham, K.J, Hinds, M.G, Olivera, B.M, Bulaj, G, Norton, R.S.
Deposit date:2002-07-04
Release date:2003-01-28
Last modified:2023-12-27
Method:SOLUTION NMR
Cite:Structure of a Novel P-Superfamily Spasmodic Conotoxin Reveals an Inhibitory Cystine Knot Motif
J.Biol.Chem., 277, 2002
1IYJ
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BU of 1iyj by Molmil
STRUCTURE OF A BRCA2-DSS1 COMPLEX
Descriptor: Deleted in split hand/split foot protein 1, breast cancer susceptibility
Authors:Pavletich, N.P, Jeffrey, P.D, Yang, H.J.
Deposit date:2002-08-28
Release date:2002-10-02
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:BRCA2 function in DNA binding and recombination from a BRCA2-DSS1-ssDNA structure.
Science, 297, 2002
5MKZ
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BU of 5mkz by Molmil
N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH 4-chloro-2-methyl-5-(((3-methylthiophen-2-yl)methyl)amino)pyridazin-3(2H)-one
Descriptor: 4-chloranyl-2-methyl-5-[(3-methylthiophen-2-yl)methylamino]pyridazin-3-one, Bromodomain-containing protein 4, GLYCEROL
Authors:Chung, C.-W.
Deposit date:2016-12-05
Release date:2017-12-20
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.62 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
2QFB
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BU of 2qfb by Molmil
Crystal structure of the regulatory domain of human RIG-I with bound Zn
Descriptor: Probable ATP-dependent RNA helicase DDX58, ZINC ION
Authors:Cui, S, Lammens, A, Lammens, K, Hopfner, K.P.
Deposit date:2007-06-27
Release date:2008-02-12
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (3 Å)
Cite:The C-Terminal Regulatory Domain Is the RNA 5'-Triphosphate Sensor of RIG-I.
Mol.Cell, 29, 2008
5MOI
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BU of 5moi by Molmil
Crystal structure of human IgE-Fc epsilon 3-4
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Ig epsilon chain C region, ...
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 (2.2 Å)
Cite:Thermal sensitivity and flexibility of the C epsilon 3 domains in immunoglobulin E.
Biochim. Biophys. Acta, 1865, 2017
2R02
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BU of 2r02 by Molmil
Crystal Structure of ALIX/AIP1 in complex with the HIV-1 YPLTSL Late Domain
Descriptor: Programmed cell death 6-interacting protein, p6-gag
Authors:Hill, C.P, Zhai, Q, Fisher, R.D.
Deposit date:2007-08-17
Release date:2007-12-18
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural and functional studies of ALIX interactions with YPX(n)L late domains of HIV-1 and EIAV.
Nat.Struct.Mol.Biol., 15, 2008

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