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3HFI
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BU of 3hfi by Molmil
The crystal structure of the putative regulator from Escherichia coli CFT073
Descriptor: Putative regulator
Authors:Zhang, R, Xu, X, Zheng, H, Savchenko, A, Edwards, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2009-05-11
Release date:2009-05-26
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The crystal structure of the putative regulator from Escherichia coli CFT073
To be Published
3D7O
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BU of 3d7o by Molmil
Human hemoglobin, nitrogen dioxide anion modified
Descriptor: Hemoglobin subunit alpha, Hemoglobin subunit beta, NITRITE ION, ...
Authors:Yi, J, Safo, M.K, Richter-Addo, G.B.
Deposit date:2008-05-21
Release date:2009-05-05
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The nitrite anion binds to human hemoglobin via the uncommon O-nitrito mode.
Biochemistry, 47, 2008
3D7V
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BU of 3d7v by Molmil
Crystal structure of Mcl-1 in complex with an Mcl-1 selective BH3 ligand
Descriptor: Bcl-2-like protein 11, Induced myeloid leukemia cell differentiation protein Mcl-1, ZINC ION
Authors:Lee, E.F, Czabotar, P.E, Colman, P.M, Fairlie, W.D.
Deposit date:2008-05-22
Release date:2008-06-24
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:A novel BH3 ligand that selectively targets Mcl-1 reveals that apoptosis can proceed without Mcl-1 degradation.
J.Cell Biol., 180, 2008
3D3E
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BU of 3d3e by Molmil
Crystal Structure of Human 11-beta-Hydroxysteroid Dehydrogenase (HSD1) in Complex with Benzamide Inhibitor
Descriptor: Corticosteroid 11-beta-dehydrogenase isozyme 1, N-cyclopropyl-N-(trans-4-pyridin-3-ylcyclohexyl)-4-[(1S)-2,2,2-trifluoro-1-hydroxy-1-methylethyl]benzamide, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Wang, Z, Sudom, A, Liu, J, Walker, N.P.
Deposit date:2008-05-09
Release date:2008-07-01
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Discovery of Novel, Potent Benzamide Inhibitors of 11beta-Hydroxysteroid Dehydrogenase Type 1 (11beta-HSD1) Exhibiting Oral Activity in an Enzyme Inhibition ex Vivo Model
J.Med.Chem., 51, 2008
3CFQ
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BU of 3cfq by Molmil
Crystal structure of human wild-type transthyretin in complex with diclofenac
Descriptor: 2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACID, Transthyretin
Authors:Lima, L.-M.T.R, Foguel, D, Polikarpov, I.
Deposit date:2008-03-04
Release date:2009-03-03
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Identification of a novel ligand binding motif in the transthyretin channel.
Bioorg.Med.Chem., 18, 2010
2K1L
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BU of 2k1l by Molmil
NMR structures of dimeric transmembrane domain of the receptor tyrosine kinase EphA1 in lipid bicelles at pH 6.3
Descriptor: Ephrin type-A receptor 1
Authors:Mayzel, M.L, Bocharov, E.V, Arseniev, A.S, Goncharuk, M.V.
Deposit date:2008-03-07
Release date:2008-09-09
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Spatial Structure and pH-dependent Conformational Diversity of Dimeric Transmembrane Domain of the Receptor Tyrosine Kinase EphA1.
J.Biol.Chem., 283, 2008
2K1R
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BU of 2k1r by Molmil
The solution NMR structure of the complex between MNK1 and HAH1 mediated by Cu(I)
Descriptor: COPPER (II) ION, Copper transport protein ATOX1, Copper-transporting ATPase 1
Authors:Bertini, I, Banci, L.C, Felli, I.C, Pavelkova, A, Rosato, A, Structural Proteomics in Europe (SPINE)
Deposit date:2008-03-14
Release date:2009-03-31
Last modified:2022-03-16
Method:SOLUTION NMR
Cite:The solution structure of the copper(I)-mediated complex between the first soluble domain of the Menkes protein and the metallochaperone HAH1.
To be Published
3CKL
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BU of 3ckl by Molmil
Crystal structure of human cytosolic sulfotransferase SULT1B1 in complex with PAP and resveratrol
Descriptor: ADENOSINE-3'-5'-DIPHOSPHATE, RESVERATROL, Sulfotransferase family cytosolic 1B member 1
Authors:Pan, P.W, Tempel, W, Dong, A, Loppnau, P, Kozieradzki, I, Edwards, A.M, Arrowsmith, C.H, Weigelt, J, Bountra, C, Bochkarev, A, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2008-03-16
Release date:2008-04-01
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of human cytosolic sulfotransferase SULT1B1 in complex with PAP and resveratrol.
To be Published
3COM
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BU of 3com by Molmil
Crystal structure of Mst1 kinase
Descriptor: Serine/threonine-protein kinase 4
Authors:Atwell, S, Burley, S.K, Dickey, M, Leon, B, Sauder, J.M, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2008-03-28
Release date:2008-04-15
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of Mst1 kinase.
To be Published
2JWA
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BU of 2jwa by Molmil
ErbB2 transmembrane segment dimer spatial structure
Descriptor: Receptor tyrosine-protein kinase erbB-2
Authors:Mineev, K.S, Bocharov, E.V, Arseniev, A.S.
Deposit date:2007-10-09
Release date:2008-01-22
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Spatial Structure of the Dimeric Transmembrane Domain of the Growth Factor Receptor ErbB2 Presumably Corresponding to the Receptor Active State
J.Biol.Chem., 283, 2008
2JXJ
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BU of 2jxj by Molmil
NMR structure of the ARID domain from the histone H3K4 demethylase RBP2
Descriptor: Histone demethylase JARID1A
Authors:Tu, S, Yuan, C, Tsai, M.
Deposit date:2007-11-20
Release date:2008-09-30
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:The ARID domain of the H3K4 demethylase RBP2 binds to a DNA CCGCCC motif
Nat.Struct.Mol.Biol., 15, 2008
3CQA
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BU of 3cqa by Molmil
Crystal structure of human fibroblast growth factor-1 with mutations Glu81Ala and Lys101Ala
Descriptor: FORMIC ACID, Heparin-binding growth factor 1, SULFATE ION
Authors:Meher, A.K, Honjo, E, Kuroki, R, Lee, J, Somasundaram, T, Blaber, M.
Deposit date:2008-04-02
Release date:2009-04-07
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Engineering an improved crystal contact across a solvent-mediated interface of human fibroblast growth factor 1.
Acta Crystallogr.,Sect.F, 65, 2009
2JY8
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BU of 2jy8 by Molmil
NMR structure of the ubiquitin associated (UBA) domain of p62 (SQSTM1) in complex with ubiquitin. RDC refined
Descriptor: Ubiquitin-binding protein p62
Authors:Long, J.E, Layfield, R, Searle, M.S.
Deposit date:2007-12-07
Release date:2007-12-18
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Ubiquitin Recognition by the Ubiquitin-associated Domain of p62 Involves a Novel Conformational Switch
J.Biol.Chem., 283, 2008
3CS4
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BU of 3cs4 by Molmil
Structure-based design of a superagonist ligand for the vitamin D nuclear receptor
Descriptor: (1S,3R,5Z,7E,14beta,17alpha)-17-[(2S,4S)-4-(2-hydroxy-2-methylpropyl)-2-methyltetrahydrofuran-2-yl]-9,10-secoandrosta-5,7,10-triene-1,3-diol, Vitamin D3 receptor
Authors:Hourai, S, Rodriguez, L.C, Antony, P, Reina-San-Martin, B, Ciesielski, F, Magnier, B.C, Schoonjans, K, Mourino, A, Rochel, N, Moras, D.
Deposit date:2008-04-09
Release date:2008-05-27
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure-based design of a superagonist ligand for the vitamin d nuclear receptor.
Chem.Biol., 15, 2008
2JYI
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BU of 2jyi by Molmil
Solution structure of MLL CXXC domain
Descriptor: ZINC ION, Zinc finger protein HRX
Authors:Cierpicki, T, Bushweller, J.H.
Deposit date:2007-12-13
Release date:2008-12-09
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Structural basis for maintenance of unmethylated CpG elements by the CXXC domain of MLL and its critical contributions to MLL-AF9 immortalization activity
To be Published
2JYV
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BU of 2jyv by Molmil
Human Granulin F
Descriptor: Granulin-2
Authors:Tolkatchev, D, Wang, P, Chen, Z, Xu, P, Ni, F.
Deposit date:2007-12-19
Release date:2008-04-22
Last modified:2022-03-16
Method:SOLUTION NMR
Cite:Structure dissection of human progranulin identifies well-folded granulin/epithelin modules with unique functional activities.
Protein Sci., 17, 2008
2JYE
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BU of 2jye by Molmil
Human Granulin A
Descriptor: Granulin A
Authors:Tolkatchev, D, Wang, P, Chen, Z, Xu, P, Ni, F.
Deposit date:2007-12-13
Release date:2008-04-22
Last modified:2022-03-16
Method:SOLUTION NMR
Cite:Structure dissection of human progranulin identifies well-folded granulin/epithelin modules with unique functional activities.
Protein Sci., 17, 2008
2K1M
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BU of 2k1m by Molmil
3D NMR structure of domain cC0 of cardiac myosin binding protein C (MyBPC)
Descriptor: Myosin-binding protein C, cardiac-type
Authors:Ratti, J, Gautel, M, Pfuhl, M.
Deposit date:2008-03-10
Release date:2009-03-17
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:3D NMR structure of domain cC0 of cardiac myosin binding protein C (MyBPC)
To be Published
2K2J
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BU of 2k2j by Molmil
NMR solution structure of the split PH domain from Phospholipase C gamma 2
Descriptor: 1-phosphatidylinositol-4,5-bisphosphate phosphodiesterase gamma-2
Authors:Harris, R, Bunney, T.D, Katan, M, Driscoll, P.C.
Deposit date:2008-04-02
Release date:2008-09-09
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Rac Regulates Its Effector Phospholipase C{gamma}2 through Interaction with a Split Pleckstrin Homology Domain.
J.Biol.Chem., 283, 2008
3CXF
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BU of 3cxf by Molmil
Crystal structure of transthyretin variant Y114H
Descriptor: Transthyretin
Authors:Cendron, L, Zanotti, G, Folli, C, Alfieri, B, Pasquato, N, Berni, R.
Deposit date:2008-04-24
Release date:2009-04-07
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural and mutational analyses of protein-protein interactions between transthyretin and retinol-binding protein.
Febs J., 275, 2008
3D09
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BU of 3d09 by Molmil
Human p53 core domain with hot spot mutation R249S and second-site suppressor mutations H168R and T123A
Descriptor: Cellular tumor antigen p53, ZINC ION
Authors:Rozenberg, H, Suad, O, Shakked, Z.
Deposit date:2008-05-01
Release date:2009-01-20
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural basis of restoring sequence-specific DNA binding and transactivation to mutant p53 by suppressor mutations
J.Mol.Biol., 385, 2009
3CGN
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BU of 3cgn by Molmil
Crystal Structure of thermophilic SlyD
Descriptor: Peptidyl-prolyl cis-trans isomerase, SULFATE ION
Authors:Neumann, P, Loew, C, Stubbs, M.T, Balbach, J.
Deposit date:2008-03-06
Release date:2009-03-10
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal Structure Determination and Functional Characterization of the Metallochaperone SlyD from Thermus thermophilus
J.Mol.Biol., 398, 2010
2K1K
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NMR structures of dimeric transmembrane domain of the receptor tyrosine kinase EphA1 in lipid bicelles at pH 4.3
Descriptor: Ephrin type-A receptor 1
Authors:Mayzel, M.L, Bocharov, E.V, Arseniev, A.S, Goncharuk, M.V.
Deposit date:2008-03-06
Release date:2008-09-09
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Spatial Structure and pH-dependent Conformational Diversity of Dimeric Transmembrane Domain of the Receptor Tyrosine Kinase EphA1
J.Biol.Chem., 283, 2008
3D24
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BU of 3d24 by Molmil
Crystal structure of ligand-binding domain of estrogen-related receptor alpha (ERRalpha) in complex with the peroxisome proliferators-activated receptor coactivator-1alpha box3 peptide (PGC-1alpha)
Descriptor: Peroxisome proliferator-activated receptor gamma coactivator 1-alpha, Steroid hormone receptor ERR1
Authors:Moras, D, Greschik, H, Flaig, R, Sato, Y, Rochel, N, Structural Proteomics in Europe (SPINE)
Deposit date:2008-05-07
Release date:2008-06-10
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:Communication between the ERR{alpha} Homodimer Interface and the PGC-1{alpha} Binding Surface via the Helix 8-9 Loop.
J.Biol.Chem., 283, 2008
3D6D
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BU of 3d6d by Molmil
Crystal Structure of the complex between PPARgamma LBD and the LT175(R-enantiomer)
Descriptor: (2S)-2-(biphenyl-4-yloxy)-3-phenylpropanoic acid, Peroxisome proliferator-activated receptor gamma
Authors:Pochetti, G, Montanari, R.
Deposit date:2008-05-19
Release date:2008-12-30
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal Structure of the Peroxisome Proliferator-Activated Receptor gamma (PPARgamma) Ligand Binding Domain Complexed with a Novel Partial Agonist: A New Region of the Hydrophobic Pocket Could Be Exploited for Drug Design
J.Med.Chem., 51, 2008

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