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3I6U
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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
3FAN
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BU of 3fan by Molmil
Crystal structure of chymotrypsin-like protease/proteinase (3CLSP/Nsp4) of porcine reproductive and respiratory syndrome virus (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:2009-09-08
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.9 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
3F8S
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Crystal structure of dipeptidyl peptidase IV in complex with inhibitor
Descriptor: 2-(4-{(3S,5S)-5-[(3,3-difluoropyrrolidin-1-yl)carbonyl]pyrrolidin-3-yl}piperazin-1-yl)pyrimidine, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Ammirati, M.J, Liu, S, Piotrowski, D.W.
Deposit date:2008-11-13
Release date:2009-06-23
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.43 Å)
Cite:(3,3-Difluoro-pyrrolidin-1-yl)-[(2S,4S)-(4-(4-pyrimidin-2-yl-piperazin-1-yl)-pyrrolidin-2-yl]-methanone: a potent, selective, orally active dipeptidyl peptidase IV inhibitor.
Bioorg.Med.Chem.Lett., 19, 2009
3FO6
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Crystal structure of guanine riboswitch bound to 6-O-methylguanine
Descriptor: 6-O-methylguanine, ACETATE ION, COBALT HEXAMMINE(III), ...
Authors:Gilbert, S.D, Reyes, F.E, Batey, R.T.
Deposit date:2008-12-28
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
3FIA
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BU of 3fia by Molmil
Crystal structure of the EH 1 domain from human intersectin-1 protein. Northeast Structural Genomics Consortium target HR3646e.
Descriptor: CALCIUM ION, Intersectin-1, SULFATE ION
Authors:Vorobiev, S.M, Chen, Y, Seetharaman, J, Devices, C, Zhao, L, Foote, E.L, Ciccosanti, C, Mao, L, Xiao, R, Acton, T.B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG)
Deposit date:2008-12-11
Release date:2008-12-30
Last modified:2021-10-20
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Crystal structure of the EH 1 domain from human intersectin-1 protein.
To be Published
3F71
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Crystal structure of E18D DJ-1 with oxidized C106
Descriptor: Protein DJ-1
Authors:Lakshminarasimhan, M, Wilson, M.A.
Deposit date:2008-11-07
Release date:2008-12-30
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Formation of a Stabilized Cysteine Sulfinic Acid Is Critical for the Mitochondrial Function of the Parkinsonism Protein DJ-1.
J.Biol.Chem., 284, 2009
3F7Q
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First pair of Fibronectin type III domains and part of the connecting segment of the integrin beta4
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:de Pereda, J.M.
Deposit date:2008-11-10
Release date:2009-03-10
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structural basis of the interaction between integrin alpha6beta4 and plectin at the hemidesmosomes
Embo J., 28, 2009
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
3FDD
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BU of 3fdd by Molmil
The Crystal Structure of the Pseudomonas dacunhae Aspartate-Beta-Decarboxylase Reveals a Novel Oligomeric Assembly for a Pyridoxal-5-Phosphate Dependent Enzyme
Descriptor: ACETATE ION, CHLORIDE ION, L-aspartate-beta-decarboxylase, ...
Authors:Lima, S, Sundararaju, B, Huang, C, Khristoforov, R, Momany, C, Phillips, R.S.
Deposit date:2008-11-25
Release date:2009-03-17
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:The crystal structure of the Pseudomonas dacunhae aspartate-beta-decarboxylase dodecamer reveals an unknown oligomeric assembly for a pyridoxal-5'-phosphate-dependent enzyme.
J.Mol.Biol., 388, 2009
3GOT
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BU of 3got by Molmil
Guanine riboswitch C74U mutant bound to 2-fluoroadenine.
Descriptor: 2-fluoroadenine, ACETATE ION, COBALT HEXAMMINE(III), ...
Authors:Gilbert, S.D, Reyes, F.E, Batey, R.T.
Deposit date:2009-03-20
Release date:2009-06-23
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Adaptive ligand binding by the purine riboswitch in the recognition of Guanine and adenine analogs
Structure, 17, 2009
3H3K
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BU of 3h3k by Molmil
Structure of A. acidocaldarius cellulase CelA in complex with cellotetraose
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, CALCIUM ION, Cellulase, ...
Authors:Morera, S, Eckert, K.
Deposit date:2009-04-16
Release date:2009-10-13
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.1 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
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
3IPD
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BU of 3ipd by Molmil
Helical extension of the neuronal SNARE complex into the membrane, spacegroup I 21 21 21
Descriptor: Synaptosomal-associated protein 25, Syntaxin-1A, Vesicle-associated membrane protein 2
Authors:Stein, A, Weber, G, Wahl, M.C, Jahn, R.
Deposit date:2009-08-17
Release date:2009-09-01
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (4.8 Å)
Cite:Helical extension of the neuronal SNARE complex into the membrane
Nature, 460, 2009
3GX2
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BU of 3gx2 by Molmil
TteSAM-I riboswitch variant A94GU34C bound to sinefungin
Descriptor: MAGNESIUM ION, RNA (94-MER), SINEFUNGIN
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 (2.9 Å)
Cite:Discrimination between Closely Related Cellular Metabolites by the SAM-I Riboswitch.
J.Mol.Biol., 396, 2010
3HAU
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BU of 3hau by Molmil
Crystal structure of chemically synthesized HIV-1 protease with reduced isostere MVT-101 inhibitor
Descriptor: HIV-1 protease, N-{(2S)-2-[(N-acetyl-L-threonyl-L-isoleucyl)amino]hexyl}-L-norleucyl-L-glutaminyl-N~5~-[amino(iminio)methyl]-L-ornithinamide, SULFATE ION
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
3GX6
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Crystal structure of the T. tengcongensis SAM-I riboswitch variant U34C/A94G bound with SAM in manganese chloride
Descriptor: MANGANESE (II) 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 (2.8 Å)
Cite:Discrimination between Closely Related Cellular Metabolites by the SAM-I Riboswitch.
J.Mol.Biol., 396, 2010
3GZK
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BU of 3gzk by Molmil
Structure of A. Acidocaldarius Cellulase CelA
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, CALCIUM ION, Cellulase, ...
Authors:Morera, S, Eckert, K, Vigouroux, A.
Deposit date:2009-04-07
Release date:2009-10-13
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.8 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
3IWW
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BU of 3iww by Molmil
Crystal structure of human glutamate carboxypeptidase II (GCPII) in a complex with DBIBzL, a urea-based inhibitor
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Barinka, C, Lubkowski, J.
Deposit date:2009-09-03
Release date:2009-11-24
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Bioisosterism of urea-based GCPII inhibitors: Synthesis and structure-activity relationship studies.
Bioorg.Med.Chem.Lett., 20, 2010
3IYZ
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BU of 3iyz by Molmil
Structure of Aquaporin-4 S180D mutant at 10.0 A resolution from electron micrograph
Descriptor: Aquaporin-4
Authors:Mitsuma, T, Tani, K, Hiroaki, Y, Kamegawa, A, Suzuki, H, Hibino, H, Kurachi, Y, Fujiyoshi, Y.
Deposit date:2010-07-24
Release date:2010-08-25
Last modified:2023-09-06
Method:ELECTRON CRYSTALLOGRAPHY (10 Å)
Cite:Influence of the cytoplasmic domains of aquaporin-4 on water conduction and array formation.
J.Mol.Biol., 402, 2010
3IY8
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Leishmania tarentolae Mitonchondrial Ribosome small subunit
Descriptor: 30S ribosomal protein S11, 30S ribosomal protein S12, 30S ribosomal protein S15, ...
Authors:Sharma, M.R, Booth, T.M, Simpson, L, Maslov, D.A, Agrawal, R.K.
Deposit date:2009-04-16
Release date:2009-07-07
Last modified:2024-02-21
Method:ELECTRON MICROSCOPY (14.1 Å)
Cite:Structure of a mitochondrial ribosome with minimal RNA
Proc.Natl.Acad.Sci.USA, 106, 2009
3HDK
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Crystal structure of chemically synthesized [Aib51/51']HIV-1 protease
Descriptor: N-{(2S)-2-[(N-acetyl-L-threonyl-L-isoleucyl)amino]hexyl}-L-norleucyl-L-glutaminyl-N~5~-[amino(iminio)methyl]-L-ornithinamide, [Aib51/51']HIV-1 protease
Authors:Torbeev, V.Y, Kent, S.B.H.
Deposit date:2009-05-07
Release date:2010-04-28
Last modified:2012-12-12
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Protein conformational dynamics in the mechanism of HIV-1 protease catalysis.
Proc.Natl.Acad.Sci.USA, 108, 2011
3HD7
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HELICAL EXTENSION OF THE NEURONAL SNARE COMPLEX INTO THE MEMBRANE, spacegroup C 1 2 1
Descriptor: SULFATE ION, Synaptosomal-associated protein 25, Syntaxin-1A, ...
Authors:Stein, A, Weber, G, Wahl, M.C, Jahn, R.
Deposit date:2009-05-07
Release date:2009-07-14
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Helical extension of the neuronal SNARE complex into the membrane
Nature, 460, 2009
3J99
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Structure of 20S supercomplex determined by single particle cryoelectron microscopy (State IIIb)
Descriptor: Alpha-soluble NSF attachment protein, Synaptosomal-associated protein 25, Syntaxin-1A, ...
Authors:Zhao, M, Wu, S, Cheng, Y, Brunger, A.T.
Deposit date:2014-12-05
Release date:2015-01-28
Last modified:2024-02-21
Method:ELECTRON MICROSCOPY (8.2 Å)
Cite:Mechanistic insights into the recycling machine of the SNARE complex.
Nature, 518, 2015

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