2AI1
 
 | | Purine nucleoside phosphorylase from calf spleen | | Descriptor: | ((2R,4R,6R,6AS)-4-(2-AMINO-6-OXO-1,6-DIHYDROPURIN-9-YL)-6-(HYDROXYMETHYL)-TETRAHYDROFURO[3,4-D][1,3]DIOXOL-2-YL)METHYLPHOSPHONIC ACID, MAGNESIUM ION, Purine nucleoside phosphorylase, ... | | Authors: | Toms, A.V, Wang, W, Li, Y, Ganem, B, Ealick, S.E. | | Deposit date: | 2005-07-28 | | Release date: | 2005-10-25 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Novel multisubstrate inhibitors of mammalian purine nucleoside phosphorylase.
Acta Crystallogr.,Sect.D, 61, 2005
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4L7G
 | | Diethylaminosulfur Trifluoride-Mediated Intramolecular Cyclization of 2-hydroxy-benzylureas to Fused Bicyclic Aminooxazoline Compounds and Evaluation of Their Biochemical Activity Against Beta-Secretase-1 (BACE1) | | Descriptor: | (3aS,7aR)-7a-[3-(pyrimidin-5-yl)phenyl]-3a,6,7,7a-tetrahydro-4H-pyrano[4,3-d][1,3]oxazol-2-amine, Beta-secretase 1, DIMETHYL SULFOXIDE | | Authors: | Huestis, M.P, Liu, W, Volgraf, M, Purkey, H, Wang, W, Yu, C, Wu, P, Smith, D, Vigers, G, Dutcher, D, Geck Do, M.K, Hunt, K.W, Siu, M. | | Deposit date: | 2013-06-13 | | Release date: | 2013-09-18 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.38 Å) | | Cite: | Diethylaminosulfur Trifluoride-Mediated Intramolecular Cyclization of 2-hydroxycycloalkylureas to Fused Bicyclic Aminooxazoline Compounds and Evaluation of Their Biochemical Activity Against β-Secretase-1 (BACE-1)
Tetrahedron Lett., 2013
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4LC7
 | | Aminooxazoline inhibitor of BACE-1 | | Descriptor: | (3aR,7aR)-3a-[3-(5-chloropyridin-3-yl)phenyl]-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazol-2-amine, Beta-Secretase-1, NICKEL (II) ION | | Authors: | Huestis, M.P, Liu, W, Volgraf, M, Purkey, H.E, Wu, C, Wang, W, Smith, D, Vigers, G.P.A, Dutcher, D, Hunt, K.W, Siu, M. | | Deposit date: | 2013-06-21 | | Release date: | 2013-09-18 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Diethylaminosulfur Trifluoride-Mediated Intramolecular Cyclization of 2-hydroxycycloalkylureas to Fused Bicyclic Aminooxazoline Compounds and Evaluation of Their Biochemical Activity Against β-Secretase-1 (BACE-1)
Tetrahedron Lett., 2013
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3RO3
 | | crystal structure of LGN/mInscuteable complex | | Descriptor: | CHLORIDE ION, ETHANOL, G-protein-signaling modulator 2, ... | | Authors: | Zhu, J, Wen, W, Shang, Y, Wei, Z, Pan, Z, Wang, W, Zhang, M. | | Deposit date: | 2011-04-25 | | Release date: | 2012-03-07 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | LGN/mInsc and LGN/NuMA complex structures suggest distinct functions in asymmetric cell division for the Par3/mInsc/LGN and G[alpha]i/LGN/NuMA pathways
Mol.Cell, 43, 2011
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2AI3
 | | Purine nucleoside phosphorylase from calf spleen | | Descriptor: | (2S,4R,6R,6AS)-4-(2-AMINO-6-OXO-1,6-DIHYDROPURIN-9-YL)-6-(HYDROXYMETHYL)-TETRAHYDROFURO[3,4-D][1,3]DIOXOL-2-YLPHOSPHONI C ACID, MAGNESIUM ION, Purine nucleoside phosphorylase, ... | | Authors: | Toms, A.V, Wang, W, Li, Y, Ganem, B, Ealick, S.E. | | Deposit date: | 2005-07-28 | | Release date: | 2005-10-25 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Novel multisubstrate inhibitors of mammalian purine nucleoside phosphorylase.
Acta Crystallogr.,Sect.D, 61, 2005
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2ARG
 | | FORMATION OF AN AMINO ACID BINDING POCKET THROUGH ADAPTIVE ZIPPERING-UP OF A LARGE DNA HAIRPIN LOOP, NMR, 9 STRUCTURES | | Descriptor: | ARGININEAMIDE, DNA APTAMER [5'-D (*TP*GP*AP*CP*CP*AP*GP*GP*GP*CP*AP*AP*AP*CP*GP*GP*TP*AP* GP*GP*TP*GP*AP*GP*TP*GP*GP*TP*CP*A)-3'] | | Authors: | Lin, C.H, Wang, W, Jones, R.A, Patel, D.J. | | Deposit date: | 1998-08-19 | | Release date: | 1999-03-23 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Formation of an amino-acid-binding pocket through adaptive zippering-up of a large DNA hairpin loop.
Chem.Biol., 5, 1998
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4DSO
 | | Small-molecule ligands bind to a distinct pocket in Ras and inhibit SOS-mediated nucleotide exchange activity | | Descriptor: | 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, BENZAMIDINE, GLYCEROL, ... | | Authors: | Oh, A, Maurer, T, Garrenton, L.S, Pitts, K, Anderson, D.J, Skelton, N.J, Fauber, B.P, Pan, B, Malek, S, Stokoe, D, Ludlam, M, Bowman, K.K, Wu, J, Giannetti, A.M, Starovasnik, M.A, Mellman, I, Jackson, P.K, Ruldolph, J, Fang, G, Wang, W. | | Deposit date: | 2012-02-19 | | Release date: | 2012-04-04 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Small-molecule ligands bind to a distinct pocket in Ras and inhibit SOS-mediated nucleotide exchange activity.
Proc.Natl.Acad.Sci.USA, 109, 2012
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4DSU
 | | Small-molecule ligands bind to a distinct pocket in Ras and inhibit SOS-mediated nucleotide exchange activity | | Descriptor: | BENZIMIDAZOLE, GTPase KRas, isoform 2B, ... | | Authors: | Oh, A, Maurer, T, Garrenton, L.S, Pitts, K, Anderson, D.J, Skelton, N.J, Fauber, B.P, Pan, B, Malek, S, Stokoe, D, Ludlam, M, Bowman, K.K, Wu, J, Giannetti, A.M, Starovasnik, M.A, Mellman, I, Jackson, P.K, Ruldolph, J, Fang, G, Wang, W. | | Deposit date: | 2012-02-19 | | Release date: | 2012-04-04 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Small-molecule ligands bind to a distinct pocket in Ras and inhibit SOS-mediated nucleotide exchange activity.
Proc.Natl.Acad.Sci.USA, 109, 2012
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4DST
 | | Small-molecule ligands bind to a distinct pocket in Ras and inhibit SOS-mediated nucleotide exchange activity | | Descriptor: | 1,2-ETHANEDIOL, 2-(4,6-dichloro-2-methyl-1H-indol-3-yl)ethanamine, ACETATE ION, ... | | Authors: | Oh, A, Maurer, T, Garrenton, L.S, Pitts, K, Anderson, D.J, Skelton, N.J, Fauber, B.P, Pan, B, Malek, S, Stokoe, D, Ludlam, M, Bowman, K.K, Wu, J, Giannetti, A.M, Starovasnik, M.A, Mellman, I, Jackson, P.K, Ruldolph, J, Fang, G, Wang, W. | | Deposit date: | 2012-02-19 | | Release date: | 2012-04-04 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Small-molecule ligands bind to a distinct pocket in Ras and inhibit SOS-mediated nucleotide exchange activity.
Proc.Natl.Acad.Sci.USA, 109, 2012
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4DSN
 | | Small-molecule ligands bind to a distinct pocket in Ras and inhibit SOS-mediated nucleotide exchange activity | | Descriptor: | 1,2-ETHANEDIOL, GTPase KRas, isoform 2B, ... | | Authors: | Oh, A, Maurer, T, Garrenton, L.S, Pitts, K, Anderson, D.J, Skelton, N.J, Fauber, B.P, Pan, B, Malek, S, Stokoe, D, Ludlam, M, Bowman, K.K, Wu, J, Giannetti, A.M, Starovasnik, M.A, Mellman, I, Jackson, P.K, Ruldolph, J, Fang, G, Wang, W. | | Deposit date: | 2012-02-19 | | Release date: | 2012-04-25 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.03 Å) | | Cite: | Small-molecule ligands bind to a distinct pocket in Ras and inhibit SOS-mediated nucleotide exchange activity.
Proc.Natl.Acad.Sci.USA, 109, 2012
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3MXN
 | | Crystal structure of the RMI core complex | | Descriptor: | BENZAMIDINE, RecQ-mediated genome instability protein 1, RecQ-mediated genome instability protein 2 | | Authors: | Hoadley, K.A, Xu, D, Xue, Y, Satyshur, K.A, Wang, W, Keck, J.L. | | Deposit date: | 2010-05-07 | | Release date: | 2010-09-15 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Structure and cellular roles of the RMI core complex from the bloom syndrome dissolvasome.
Structure, 18, 2010
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8UV1
 | | Structure of TDP1 complexed with compound IB01 | | Descriptor: | 1,2-ETHANEDIOL, 8-(fluorosulfonyl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid, Tyrosyl-DNA phosphodiesterase 1 | | Authors: | Lountos, G.T, Zhao, X.Z, Barakat, I, Wang, W, Agama, K, Al Mahmud, M.R, Pommier, Y, Burke, T.R. | | Deposit date: | 2023-11-02 | | Release date: | 2024-09-25 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.83 Å) | | Cite: | Structure of TDP1 complexed with compound IB01
To Be Published
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6B16
 | | P21-activated kinase 1 in complex with a 4-azaindole inhibitor | | Descriptor: | N~4~-(5-cyclopropyl-1H-pyrazol-3-yl)-N~2~-[(1S)-1-(1H-pyrrolo[3,2-b]pyridin-5-yl)ethyl]pyrimidine-2,4-diamine, SULFATE ION, Serine/threonine-protein kinase PAK 1 | | Authors: | Rouge, L, Wang, W. | | Deposit date: | 2017-09-16 | | Release date: | 2017-10-25 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.285 Å) | | Cite: | Synthesis and evaluation of a series of 4-azaindole-containing p21-activated kinase-1 inhibitors.
Bioorg. Med. Chem. Lett., 26, 2016
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3MWP
 | | Nucleoprotein structure of lassa fever virus | | Descriptor: | Nucleoprotein, ZINC ION | | Authors: | Qi, X, Lan, S, Wang, W, Schelde, L.M, Dong, H, Wallat, G, Liang, Y, Ly, H, Dong, C, Scottish Structural Proteomics Facility (SSPF) | | Deposit date: | 2010-05-06 | | Release date: | 2010-12-01 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.795 Å) | | Cite: | Cap binding and immune evasion revealed by Lassa nucleoprotein structure.
Nature, 468, 2010
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3MX5
 | | Lassa fever virus nucleoprotein complexed with UTP | | Descriptor: | Nucleoprotein, URIDINE 5'-TRIPHOSPHATE, ZINC ION | | Authors: | Qi, X, Lan, S, Wang, W, Schelde, L.M, Dong, H, Wallat, G, Liang, Y, Ly, H, Dong, C, Scottish Structural Proteomics Facility (SSPF) | | Deposit date: | 2010-05-06 | | Release date: | 2010-12-01 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.903 Å) | | Cite: | Cap binding and immune evasion revealed by Lassa nucleoprotein structure.
Nature, 468, 2010
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3MWT
 | | Crystal structure of Lassa fever virus nucleoprotein in complex with Mn2+ | | Descriptor: | MANGANESE (II) ION, Nucleoprotein, ZINC ION | | Authors: | Qi, X, Lan, S, Wang, W, Schelde, L.M, Dong, H, Wallat, G, Liang, Y, Ly, H, Dong, C, Scottish Structural Proteomics Facility (SSPF) | | Deposit date: | 2010-05-06 | | Release date: | 2010-12-01 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.982 Å) | | Cite: | Cap binding and immune evasion revealed by Lassa nucleoprotein structure.
Nature, 468, 2010
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3MX2
 | | Lassa fever virus Nucleoprotein complexed with dTTP | | Descriptor: | Nucleoprotein, THYMIDINE-5'-TRIPHOSPHATE, ZINC ION | | Authors: | Qi, X, Lan, S, Wang, W, Schelde, L.M, Dong, H, Wallat, G, Liang, Y, Ly, H, Dong, C, Scottish Structural Proteomics Facility (SSPF) | | Deposit date: | 2010-05-06 | | Release date: | 2010-12-01 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.983 Å) | | Cite: | Cap binding and immune evasion revealed by Lassa nucleoprotein structure.
Nature, 468, 2010
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4FK3
 | | B-Raf Kinase V600E Oncogenic Mutant in Complex with PLX3203 | | Descriptor: | N-{2,4-difluoro-3-[(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)carbonyl]phenyl}ethanesulfonamide, Serine/threonine-protein kinase B-raf | | Authors: | Zhang, Y, Wang, W, Zhang, K.Y.J. | | Deposit date: | 2012-06-12 | | Release date: | 2012-08-08 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Discovery of a selective inhibitor of oncogenic B-Raf kinase with potent antimelanoma activity.
Proc.Natl.Acad.Sci.USA, 105, 2008
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5FHP
 | | SeMet regulator of nicotine degradation | | Descriptor: | GLYCEROL, MALONIC ACID, NicR | | Authors: | Zhang, K, Tang, H, Wu, G, Wang, W, Hu, H, Xu, P. | | Deposit date: | 2015-12-22 | | Release date: | 2016-12-21 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Co-crystal Structure of NicR2_Hsp
To Be Published
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8GQR
 | | Crystal structure of VioD with FAD | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, SULFATE ION, ... | | Authors: | Ran, T, Wang, W, Xu, M. | | Deposit date: | 2022-08-30 | | Release date: | 2023-03-29 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural basis for substrate binding and catalytic mechanism of the key enzyme VioD in the violacein synthesis pathway.
Proteins, 91, 2023
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8GOY
 | | SulE P44R | | Descriptor: | 5-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-1-methyl-pyrazole-4-carboxylic acid, Alpha/beta fold hydrolase, GLYCEROL | | Authors: | Liu, B, He, J, Ran, T, Wang, W. | | Deposit date: | 2022-08-25 | | Release date: | 2023-08-02 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (1.784 Å) | | Cite: | Crystal structures of herbicide-detoxifying esterase reveal a lid loop affecting substrate binding and activity.
Nat Commun, 14, 2023
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8GOL
 | | crystal structure of SulE | | Descriptor: | 2-[(4-chloranyl-6-methoxy-pyrimidin-2-yl)carbamoylsulfamoyl]benzoic acid, Alpha/beta fold hydrolase, GLYCEROL | | Authors: | Liu, B, Ran, T, Wang, W, He, J. | | Deposit date: | 2022-08-25 | | Release date: | 2023-08-02 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Crystal structures of herbicide-detoxifying esterase reveal a lid loop affecting substrate binding and activity.
Nat Commun, 14, 2023
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8GP0
 | | crystal structure of SulE | | Descriptor: | Alpha/beta fold hydrolase, CITRIC ACID, GLYCEROL | | Authors: | Liu, B, Ran, T, wang, W, He, J. | | Deposit date: | 2022-08-25 | | Release date: | 2023-08-02 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (1.46 Å) | | Cite: | Crystal structures of herbicide-detoxifying esterase reveal a lid loop affecting substrate binding and activity.
Nat Commun, 14, 2023
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5FGL
 | | Co-crystal Structure of NicR2_Hsp | | Descriptor: | 4-oxidanylidene-4-(6-oxidanylidene-1~{H}-pyridin-3-yl)butanoic acid, NicR | | Authors: | Zhang, K, Tang, H, Wu, G, Wang, W, Hu, H, Xu, P. | | Deposit date: | 2015-12-21 | | Release date: | 2016-12-21 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Co-crystal Structure of NicR2_Hsp
To Be Published
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8Y40
 | | Structure of chimeric RyR-I4657M/G4819E complex with chlorantraniliprole | | Descriptor: | 5-bromanyl-N-[4-chloranyl-2-methyl-6-(methylcarbamoyl)phenyl]-2-(3-chloranylpyridin-2-yl)pyrazole-3-carboxamide, ADENOSINE-5'-TRIPHOSPHATE, CAFFEINE, ... | | Authors: | Lin, L, Wang, C, Wang, W, Jiang, H, Yuchi, Z. | | Deposit date: | 2024-01-29 | | Release date: | 2024-10-30 | | Method: | ELECTRON MICROSCOPY (3.58 Å) | | Cite: | Cryo-EM structures of ryanodine receptors and diamide insecticides reveal the mechanisms of selectivity and resistance.
Nat Commun, 15, 2024
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