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3F64
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F17a-G lectin domain with bound GlcNAc(beta1-O)paranitrophenyl ligand
Descriptor: 4-nitrophenyl 2-acetamido-2-deoxy-beta-D-glucopyranoside, F17a-G
Authors:Buts, L, De Boer, A, Olsson, J.D.M, Jonckheere, W, De Kerpel, M, De Genst, E, Guerardel, Y, Willaert, R, Wyns, L, Wuhrer, M, Oscarson, S, De Greve, H, Bouckaert, J.
Deposit date:2008-11-05
Release date:2009-11-10
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structural Sampling of Glycan Interaction Profiles Reveals Mucosal Receptors for Fimbrial Adhesins of Enterotoxigenic Escherichia coli.
Biology (Basel), 2, 2013
3FAO
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BU of 3fao by Molmil
Crystal structure of S118A mutant 3CLSP of PRRSV
Descriptor: Non-structural protein, PHOSPHATE ION
Authors:Gao, F, Peng, H, Tian, X, Lu, G, Liu, Y, Gao, G.F.
Deposit date:2008-11-17
Release date:2009-10-20
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Structure and cleavage specificity of the chymotrypsin-like serine protease (3CLSP/nsp4) of Porcine Reproductive and Respiratory Syndrome Virus (PRRSV).
J.Mol.Biol., 392, 2009
3EWH
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BU of 3ewh by Molmil
Crystal structure of the VEGFR2 kinase domain in complex with a pyridyl-pyrimidine benzimidazole inhibitor
Descriptor: 1,2-ETHANEDIOL, N-[4-({3-[2-(methylamino)pyrimidin-4-yl]pyridin-2-yl}oxy)naphthalen-1-yl]-6-(trifluoromethyl)-1H-benzimidazol-2-amine, vascular endothelial growth factor receptor 2
Authors:Whittington, D.A, Long, A.M, Rose, P, Gu, Y, Zhao, H.
Deposit date:2008-10-15
Release date:2009-08-25
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Pyridyl-pyrimidine benzimidazole derivatives as potent, selective, and orally bioavailable inhibitors of Tie-2 kinase.
Bioorg.Med.Chem.Lett., 19, 2009
3IJ9
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BU of 3ij9 by Molmil
Directed 'in situ' Elongation as a Strategy to Characterize the Covalent Glycosyl-Enzyme Catalytic Intermediate of Human Pancreatic a-Amylase
Descriptor: (2R,3S,4R,5R,6R)-2,6-difluoro-2-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol, CALCIUM ION, CHLORIDE ION, ...
Authors:Li, C, Zhang, R, Withers, S.G, Brayer, G.D.
Deposit date:2009-08-04
Release date:2009-10-27
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Directed "in situ" inhibitor elongation as a strategy to structurally characterize the covalent glycosyl-enzyme intermediate of human pancreatic alpha-amylase
Biochemistry, 48, 2009
3IRW
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BU of 3irw by Molmil
Structure of a c-di-GMP riboswitch from V. cholerae
Descriptor: 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), IRIDIUM HEXAMMINE ION, MAGNESIUM ION, ...
Authors:Smith, K.D.
Deposit date:2009-08-24
Release date:2009-11-10
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural basis of ligand binding by a c-di-GMP riboswitch.
Nat.Struct.Mol.Biol., 16, 2009
3I6W
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BU of 3i6w by Molmil
Structure and Activation Mechanism of the CHK2 DNA-Damage Checkpoint Kinase
Descriptor: Serine/threonine-protein kinase Chk2
Authors:Pavletich, N.P.
Deposit date:2009-07-07
Release date:2009-11-10
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (3.25 Å)
Cite:Structure and activation mechanism of the CHK2 DNA damage checkpoint kinase.
Mol.Cell, 35, 2009
3G9W
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BU of 3g9w by Molmil
Crystal Structure of Talin2 F2-F3 in Complex with the Integrin Beta1D Cytoplasmic Tail
Descriptor: DI(HYDROXYETHYL)ETHER, GLYCEROL, Integrin beta-1D, ...
Authors:Anthis, N.J, Wegener, K.L, Ye, F, Kim, C, Lowe, E.D, Vakonakis, I, Bate, N, Critchley, D.R, Ginsberg, M.H, Campbell, I.D.
Deposit date:2009-02-15
Release date:2009-10-20
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.165 Å)
Cite:The structure of an integrin/talin complex reveals the basis of inside-out signal transduction
Embo J., 28, 2009
3GAO
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BU of 3gao by Molmil
Crystal structure of the guanine riboswitch bound to xanthine.
Descriptor: ACETATE ION, COBALT HEXAMMINE(III), Guanine riboswitch, ...
Authors:Gilbert, S.D, Batey, R.T.
Deposit date:2009-02-18
Release date:2009-06-23
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Adaptive ligand binding by the purine riboswitch in the recognition of Guanine and adenine analogs.
Structure, 17, 2009
3G3I
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BU of 3g3i by Molmil
Crystal structure of the GluR6 ligand binding domain dimer I442H K494E I749L Q753K mutant with glutamate and NaCl at 1.37 Angstrom resolution
Descriptor: CHLORIDE ION, GLUTAMIC ACID, Glutamate receptor, ...
Authors:Chaudhry, C, Mayer, M.L.
Deposit date:2009-02-02
Release date:2009-06-02
Last modified:2021-10-20
Method:X-RAY DIFFRACTION (1.371 Å)
Cite:Stability of ligand-binding domain dimer assembly controls kainate receptor desensitization.
Embo J., 28, 2009
3GGR
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BU of 3ggr by Molmil
Crystal Structure of the Human Rad9-Hus1-Rad1 complex
Descriptor: Cell cycle checkpoint control protein RAD9A, Cell cycle checkpoint protein RAD1, Checkpoint protein HUS1
Authors:Xu, M, Bai, L, Hang, H.Y, Jiang, T.
Deposit date:2009-03-02
Release date:2009-06-16
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structure and functional implications of the human rad9-hus1-rad1 cell cycle checkpoint complex
J.Biol.Chem., 284, 2009
3H6G
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BU of 3h6g by Molmil
Crystal structure of the GluR6 amino terminal domain dimer assembly
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Glutamate receptor, ...
Authors:Kumar, J, Mayer, M.L.
Deposit date:2009-04-23
Release date:2009-05-26
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.697 Å)
Cite:The N-terminal domain of GluR6-subtype glutamate receptor ion channels.
Nat.Struct.Mol.Biol., 16, 2009
3GSL
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BU of 3gsl by Molmil
Crystal structure of PSD-95 tandem PDZ domains 1 and 2
Descriptor: Disks large homolog 4
Authors:Sainlos, M, Olivier, N.B, Imperiali, B.
Deposit date:2009-03-27
Release date:2010-09-29
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Biomimetic divalent ligands for the acute disruption of synaptic AMPAR stabilization.
Nat.Chem.Biol., 7, 2011
3GX7
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BU of 3gx7 by Molmil
Crystal structure of the T. tengcongensis SAM-I riboswitch variant U34C/A94G mutant A6C/U7G/A87C/U88G bound with SAM
Descriptor: MAGNESIUM ION, RNA (94-MER), S-ADENOSYLMETHIONINE
Authors:Montange, R.K, Batey, R.T.
Deposit date:2009-04-01
Release date:2010-01-12
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Discrimination between Closely Related Cellular Metabolites by the SAM-I Riboswitch.
J.Mol.Biol., 396, 2010
3H5W
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BU of 3h5w by Molmil
Crystal structure of the GluR2-ATD in space group P212121 without solvent
Descriptor: Glutamate receptor 2
Authors:Jin, R, Singh, S.K, Gu, S, Furukawa, H, Sobolevsky, A, Zhou, J, Jin, Y, Gouaux, E.
Deposit date:2009-04-22
Release date:2009-06-09
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.686 Å)
Cite:Crystal structure and association behaviour of the GluR2 amino-terminal domain.
Embo J., 28, 2009
3HAB
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BU of 3hab by Molmil
The structure of DPP4 in complex with piperidine fused benzimidazole 25
Descriptor: (2R,3R)-7-(methylsulfonyl)-3-(2,4,5-trifluorophenyl)-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-2-amine, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Scapin, G.
Deposit date:2009-05-01
Release date:2009-07-21
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Aminopiperidine-fused imidazoles as dipeptidyl peptidase-IV inhibitors
Bioorg.Med.Chem.Lett., 19, 2009
3HAW
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BU of 3haw by Molmil
Crystal structure of [L-Ala51/51']HIV-1 protease with reduced isostere MVT-101 inhibitor
Descriptor: N-{(2S)-2-[(N-acetyl-L-threonyl-L-isoleucyl)amino]hexyl}-L-norleucyl-L-glutaminyl-N~5~-[amino(iminio)methyl]-L-ornithinamide, SULFATE ION, [L-Ala51/51']HIV-1 protease
Authors:Torbeev, V.Y, Kent, S.B.H.
Deposit date:2009-05-02
Release date:2011-04-27
Last modified:2012-12-12
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Protein conformational dynamics in the mechanism of HIV-1 protease catalysis.
Proc.Natl.Acad.Sci.USA, 108, 2011
3HAJ
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BU of 3haj by Molmil
Crystal structure of human PACSIN2 F-BAR domain (p212121 lattice)
Descriptor: CALCIUM ION, human PACSIN2 F-BAR
Authors:Wang, Q, Navarro, M.V.A.S, Peng, G, Rajashankar, K.R, Sondermann, H.
Deposit date:2009-05-01
Release date:2009-06-16
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.78 Å)
Cite:Molecular mechanism of membrane constriction and tubulation mediated by the F-BAR protein Pacsin/Syndapin.
Proc.Natl.Acad.Sci.USA, 106, 2009
3GOG
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BU of 3gog by Molmil
Guanine riboswitch A21G,U75C mutant bound to 6-chloroguanine
Descriptor: 6-chloroguanine, ACETATE ION, COBALT HEXAMMINE(III), ...
Authors:Gilbert, S.D, Batey, R.T.
Deposit date:2009-03-19
Release date:2009-06-23
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Adaptive ligand binding by the purine riboswitch in the recognition of Guanine and adenine analogs
Structure, 17, 2009
3IJ8
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BU of 3ij8 by Molmil
Directed 'in situ' Elongation as a Strategy to Characterize the Covalent Glycosyl-Enzyme Catalytic Intermediate of Human Pancreatic a-Amylase
Descriptor: (2R,3S,4R,5R,6R)-2,6-difluoro-2-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol, 5-fluoro-alpha-L-idopyranose, CALCIUM ION, ...
Authors:Li, C, Zhang, R, Withers, S.G, Brayer, G.D.
Deposit date:2009-08-04
Release date:2009-10-27
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.43 Å)
Cite:Directed "in situ" inhibitor elongation as a strategy to structurally characterize the covalent glycosyl-enzyme intermediate of human pancreatic alpha-amylase
Biochemistry, 48, 2009
3GX5
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BU of 3gx5 by Molmil
Crystal structure of T. tencongensis SAM-I riboswitch variant A94G/U34 bound with SAM
Descriptor: MAGNESIUM ION, POTASSIUM ION, RNA (94-MER), ...
Authors:Montange, R.K, Batey, R.T.
Deposit date:2009-04-01
Release date:2010-01-12
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.402 Å)
Cite:Discrimination between Closely Related Cellular Metabolites by the SAM-I Riboswitch.
J.Mol.Biol., 396, 2010
3H2W
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BU of 3h2w by Molmil
Structure of A. acidocaldarius cellulase CelA in complex with cellobiose
Descriptor: CALCIUM ION, COBALT (II) ION, Cellulase, ...
Authors:Morera, S, Vigouroux, A.
Deposit date:2009-04-14
Release date:2009-10-13
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.66 Å)
Cite:Crystal structures of A. acidocaldarius endoglucanase Cel9A in complex with Cello-oligosaccharides: strong -1 and -2 subsites mimic cellobiohydrolase activity
J.Mol.Biol., 394, 2009
3I6U
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BU of 3i6u by Molmil
Structure and Activation Mechanism of the CHK2 DNA-Damage Checkpoint Kinase
Descriptor: Serine/threonine-protein kinase Chk2
Authors:Pavletich, N.P.
Deposit date:2009-07-07
Release date:2009-11-10
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structure and activation mechanism of the CHK2 DNA damage checkpoint kinase.
Mol.Cell, 35, 2009
3HSY
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BU of 3hsy by Molmil
High resolution structure of a dimeric GluR2 N-terminal domain (NTD)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Glutamate receptor 2, SULFATE ION, ...
Authors:Rossmann, M, Sukumaran, M, Penn, A.C, Veprintsev, D.B, Greger, I.H.
Deposit date:2009-06-11
Release date:2010-06-16
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Subunit-selective N-terminal domain associations organize the formation of AMPA receptor heteromers
Embo J., 30, 2011
3IAR
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BU of 3iar by Molmil
The crystal structure of human adenosine deaminase
Descriptor: (2R,3S,5R)-5-(6-amino-9H-purin-9-yl)-tetrahydro-2-(hydroxymethyl)furan-3-ol, Adenosine deaminase, GLYCEROL, ...
Authors:Ugochukwu, E, Zhang, Y, Hapka, E, Yue, W.W, Bray, J.E, Muniz, J, Burgess-Brown, N, Chaikuad, A, von Delft, F, Bountra, C, Arrowsmith, C.H, Weigelt, J, Edwards, A, Kavanagh, K.L, Oppermann, U, Structural Genomics Consortium (SGC)
Deposit date:2009-07-14
Release date:2009-08-11
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:The crystal structure of human adenosine deaminase
To be Published
3I6Z
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3D Structure of Torpedo californica acetylcholinesterase complexed with N-saccharinohexyl-galanthamine
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-{6-[(4aS,6R,8aS)-6-hydroxy-3-methoxy-5,6,9,10-tetrahydro-4aH-[1]benzofuro[3a,3,2-ef][2]benzazepin-11(12H)-yl]hexyl}-1 ,2-benzisothiazol-3(2H)-one 1,1-dioxide, ...
Authors:Lamba, D, Bartolucci, C.
Deposit date:2009-07-07
Release date:2010-01-12
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:Probing Torpedo californica acetylcholinesterase catalytic gorge with two novel bis-functional galanthamine derivatives.
J.Med.Chem., 53, 2010

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