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4GW5
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BU of 4gw5 by Molmil
cQYN meditope - Cetuximab Fab
Descriptor: Fab Heavy Chain, Fab Light Chain, PHOSPHATE ION, ...
Authors:Donaldson, J.M, Zer, C, Avery, K.N, Bzymek, K.P, Horne, D.A, Williams, J.C.
Deposit date:2012-08-31
Release date:2013-10-09
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Identification and grafting of a unique peptide-binding site in the Fab framework of monoclonal antibodies.
Proc.Natl.Acad.Sci.USA, 110, 2013
4EDV
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BU of 4edv by Molmil
The structure of the S. aureus DnaG RNA Polymerase Domain bound to pppGpp and Manganese
Descriptor: BENZAMIDINE, DNA primase, MANGANESE (II) ION, ...
Authors:Rymer, R.U, Solorio, F.A, Chu, C, Corn, J.E, Wang, J.D, Berger, J.M.
Deposit date:2012-03-27
Release date:2012-07-25
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Binding Mechanism of Metal-NTP Substrates and Stringent-Response Alarmones to Bacterial DnaG-Type Primases.
Structure, 20, 2012
4EPM
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BU of 4epm by Molmil
Crystal Structure of Arabidopsis GH3.12 (PBS3) in Complex with AMP
Descriptor: 4-substituted benzoates-glutamate ligase GH3.12, ADENOSINE MONOPHOSPHATE, SULFATE ION
Authors:Westfall, C.S, Zubieta, C, Herrmann, J, Kapp, U, Nanao, M.H, Jez, J.M.
Deposit date:2012-04-17
Release date:2012-06-20
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.099 Å)
Cite:Structural basis for prereceptor modulation of plant hormones by GH3 proteins.
Science, 336, 2012
4EER
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BU of 4eer by Molmil
Crystal structure of LOV2 domain of Arabidopsis thaliana phototropin 2 C426A mutant
Descriptor: FLAVIN MONONUCLEOTIDE, Phototropin-2
Authors:Hitomi, K, Christie, J.M, Arvai, A.S, Hartfield, K.A, Pratt, A.J, Tainer, J.A, Getzoff, E.D.
Deposit date:2012-03-28
Release date:2012-05-16
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.753 Å)
Cite:Structural Tuning of the Fluorescent Protein iLOV for Improved Photostability.
J.Biol.Chem., 287, 2012
4F0R
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BU of 4f0r by Molmil
Crystal structure of an adenosine deaminase homolog from Chromobacterium violaceum (target NYSGRC-019589) bound Zn and 5'-Methylthioadenosine (unproductive complex)
Descriptor: 5'-DEOXY-5'-METHYLTHIOADENOSINE, 5-methylthioadenosine/S-adenosylhomocysteine deaminase, GLYCEROL, ...
Authors:Kim, J, Vetting, M.W, Sauder, J.M, Burley, S.K, Raushel, F.M, Bonanno, J.B, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC)
Deposit date:2012-05-04
Release date:2012-06-06
Last modified:2021-02-10
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of an adenosine deaminase homolog from Chromobacterium violaceum (target NYSGRC-019589) bound Zn and 5'-Methylthioadenosine (unproductive complex)
To be Published
1XSP
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BU of 1xsp by Molmil
Crystal Structure of human DNA polymerase lambda in complex with nicked DNA and pyrophosphate
Descriptor: 5'-D(*CP*AP*GP*TP*AP*CP*G)-3', 5'-D(*CP*GP*GP*CP*CP*GP*TP*AP*CP*TP*G)-3', 5'-D(P*GP*CP*CP*G)-3', ...
Authors:Garcia-Diaz, M, Bebenek, K, Krahn, J.M, Kunkel, T.A, Pedersen, L.C.
Deposit date:2004-10-19
Release date:2005-01-18
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:A closed conformation for the Pol lambda catalytic cycle.
Nat.Struct.Mol.Biol., 12, 2005
4HE8
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BU of 4he8 by Molmil
Crystal structure of the membrane domain of respiratory complex I from Thermus thermophilus
Descriptor: NADH-quinone oxidoreductase subunit 10, NADH-quinone oxidoreductase subunit 11, NADH-quinone oxidoreductase subunit 12, ...
Authors:Baradaran, R, Berrisford, J.M, Minhas, G.S, Sazanov, L.A.
Deposit date:2012-10-03
Release date:2013-02-13
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Crystal structure of the entire respiratory complex I.
Nature, 494, 2013
4HFO
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BU of 4hfo by Molmil
Biogenic amine-binding protein selenomethionine derivative
Descriptor: Biogenic amine-binding protein
Authors:Andersen, J.F, Xu, X, Chang, B, Mans, B.J, Ribeiro, J.M.
Deposit date:2012-10-05
Release date:2013-01-02
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structure and ligand-binding properties of the biogenic amine-binding protein from the saliva of a blood-feeding insect vector of Trypanosoma cruzi.
Acta Crystallogr.,Sect.D, 69, 2013
1XSN
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BU of 1xsn by Molmil
Crystal Structure of human DNA polymerase lambda in complex with a one nucleotide DNA gap and ddTTP
Descriptor: 1,2-ETHANEDIOL, 2',3'-DIDEOXY-THYMIDINE-5'-TRIPHOSPHATE, 5'-D(*CP*AP*GP*TP*AP*(2DT))-3', ...
Authors:Garcia-Diaz, M, Bebenek, K, Krahn, J.M, Kunkel, T.A, Pedersen, L.C.
Deposit date:2004-10-19
Release date:2005-01-18
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:A closed conformation for the Pol lambda catalytic cycle.
Nat.Struct.Mol.Biol., 12, 2005
4FXP
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BU of 4fxp by Molmil
Crystal structure of adenosine 5'-phosphosulfate kinase from Arabidopsis thaliana in Complex with Sulfate and APS
Descriptor: ADENOSINE-5'-PHOSPHOSULFATE, Adenylyl-sulfate kinase 1, chloroplastic, ...
Authors:Ravilious, G.E, Jez, J.M.
Deposit date:2012-07-03
Release date:2012-07-25
Last modified:2013-01-09
Method:X-RAY DIFFRACTION (1.954 Å)
Cite:Nucleotide binding site communication in Arabidopsis thaliana adenosine 5'-phosphosulfate kinase.
J.Biol.Chem., 287, 2012
3DOM
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BU of 3dom by Molmil
Crystal Structure of the complex between Tfb5 and the C-terminal domain of Tfb2
Descriptor: RNA polymerase II transcription factor B subunit 2, RNA polymerase II transcription factor B subunit 5
Authors:Kainov, D.E, Cavarelli, J, Egly, J.M, Poterszman, A.
Deposit date:2008-07-04
Release date:2008-08-19
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural basis for group A trichothiodystrophy
Nat.Struct.Mol.Biol., 15, 2008
4GEC
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BU of 4gec by Molmil
Crystal Structure of E.coli MenH R124A Mutant
Descriptor: 1,2-ETHANEDIOL, 2-succinyl-6-hydroxy-2,4-cyclohexadiene-1-carboxylate synthase, CHLORIDE ION, ...
Authors:Johnston, J.M, Baker, E.N, Guo, Z, Jiang, M.
Deposit date:2012-08-01
Release date:2013-05-08
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal Structures of E. coli Native MenH and Two Active Site Mutants.
Plos One, 8, 2013
4FYQ
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BU of 4fyq by Molmil
Human aminopeptidase N (CD13)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETIC ACID, ...
Authors:Wong, A.H, Rini, J.M.
Deposit date:2012-07-05
Release date:2012-09-05
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The X-ray Crystal Structure of Human Aminopeptidase N Reveals a Novel Dimer and the Basis for Peptide Processing.
J.Biol.Chem., 287, 2012
4G34
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BU of 4g34 by Molmil
Crystal Structure of GSK6924 Bound to PERK (R587-R1092, delete A660-T867) at 2.70 A Resolution
Descriptor: 1-[5-(4-aminothieno[3,2-c]pyridin-3-yl)-2,3-dihydro-1H-indol-1-yl]-2-phenylethanone, Eukaryotic translation initiation factor 2-alpha kinase 3
Authors:Gampe, R.T, Axten, J.M.
Deposit date:2012-07-13
Release date:2012-08-08
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Discovery of 7-Methyl-5-(1-{[3-(trifluoromethyl)phenyl]acetyl}-2,3-dihydro-1H-indol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine (GSK2606414), a Potent and Selective First-in-Class Inhibitor of Protein Kinase R (PKR)-like Endoplasmic Reticulum Kinase (PERK).
J.Med.Chem., 55, 2012
4HL7
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BU of 4hl7 by Molmil
Crystal structure of nicotinate phosphoribosyltransferase (target NYSGR-026035) from Vibrio cholerae
Descriptor: Nicotinate phosphoribosyltransferase, SULFATE ION
Authors:Mulichak, A.M, Sauder, J.M, Keefe, L.J, Burley, S.K, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC)
Deposit date:2012-10-16
Release date:2012-11-14
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of nicotinate phosphoribosyltransferase (target NYSGR-026035) from Vibrio cholerae
To be Published
4HJG
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BU of 4hjg by Molmil
Meditope-enabled trastuzumab
Descriptor: Immunoglobulin G-binding protein A, Protein L fragment, Trastuzumab heavy chain, ...
Authors:Donaldson, J.M, Zer, C, Avery, K.N, Bzymek, K.P, Horne, D.A, Williams, J.C.
Deposit date:2012-10-12
Release date:2013-10-09
Last modified:2013-11-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Identification and grafting of a unique peptide-binding site in the Fab framework of monoclonal antibodies.
Proc.Natl.Acad.Sci.USA, 110, 2013
4HK2
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BU of 4hk2 by Molmil
U7Ub25.2540
Descriptor: SULFATE ION, Ubiquitin
Authors:Murray, J.M, Rouge, L.
Deposit date:2012-10-14
Release date:2012-11-21
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Potent and selective inhibitors of USP7/HAUSP activity by protein conformational stabilization
to be published
4EZ1
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BU of 4ez1 by Molmil
Crystal structure of acetylcholine binding protein (AChBP) from Aplysia Californica in complex with alpha-conotoxin BuIA
Descriptor: Alpha-conotoxin BuIA, MANGANESE (II) ION, Soluble acetylcholine receptor
Authors:Talley, T.T, Reger, A.S, Kim, C, Sankaran, B, Ho, K, Taylor, P, McIntosh, J.M.
Deposit date:2012-05-02
Release date:2013-05-08
Last modified:2013-06-19
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:Pairwise interaction of alpha-conotoxin BuIA Pro6 with the beta subunit of nicotinic acetylcholine receptor
To be Published
4F09
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BU of 4f09 by Molmil
Discovery and Optimization of C-2 Methyl Imidazo-pyrrolopyridines as Potent and Orally Bioavailable JAK1 Inhibitors with Selectivity over JAK2
Descriptor: 2-methyl-1-(piperidin-4-yl)-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridine, Tyrosine-protein kinase JAK2
Authors:Murray, J.M.
Deposit date:2012-05-03
Release date:2012-07-04
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Discovery and Optimization of C-2 Methyl Imidazopyrrolopyridines as Potent and Orally Bioavailable JAK1 Inhibitors with Selectivity over JAK2.
J.Med.Chem., 55, 2012
4F0S
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BU of 4f0s by Molmil
Crystal structure of an adenosine deaminase homolog from Chromobacterium violaceum (target NYSGRC-019589) with bound inosine.
Descriptor: 5-methylthioadenosine/S-adenosylhomocysteine deaminase, CHLORIDE ION, INOSINE, ...
Authors:Kim, J, Vetting, M.W, Sauder, J.M, Burley, S.K, Raushel, F.M, Bonanno, J.B, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC)
Deposit date:2012-05-04
Release date:2012-06-06
Last modified:2021-02-10
Method:X-RAY DIFFRACTION (1.851 Å)
Cite:Crystal structure of an adenosine deaminase homolog from Chromobacterium violaceum (target NYSGRC-019589) with bound inosine.
To be Published
4F37
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BU of 4f37 by Molmil
Structure of the tethered N-terminus of Alzheimer's disease A peptide
Descriptor: Colicin-E7 immunity protein, Fab WO2 anti-amyloid-beta antibody Fab fragment, Im7 immunity protein
Authors:Nisbet, R.M, Nuttall, S.D, Caine, J.M, Rober, R, Hittaki, M, Pearce, L.A, Davydova, N, Masters, C.L, Varghese, J.N, Streltsov, V.A.
Deposit date:2012-05-09
Release date:2013-05-15
Last modified:2014-09-03
Method:X-RAY DIFFRACTION (2.57 Å)
Cite:Structural studies of the tethered N-terminus of the Alzheimer's disease amyloid-beta peptide.
Proteins, 81, 2013
4HPT
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BU of 4hpt by Molmil
Crystal structure of the catalytic subunit of cAMP-dependent protein kinase displaying complete phosphoryl transfer of AMP-PNP onto a substrate peptide
Descriptor: MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, cAMP-dependent protein kinase catalytic subunit alpha, ...
Authors:Bastidas, A.C, Steichen, J.M, Wu, J, Taylor, S.S.
Deposit date:2012-10-24
Release date:2013-03-20
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Phosphoryl transfer by protein kinase a is captured in a crystal lattice.
J.Am.Chem.Soc., 135, 2013
4HPU
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BU of 4hpu by Molmil
Crystal structure of the catalytic subunit of cAMP-dependent protein kinase displaying partial phosphoryl transfer of AMP-PNP onto a substrate peptide
Descriptor: MAGNESIUM ION, MYRISTIC ACID, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
Authors:Bastidas, A.C, Steichen, J.M, Wu, J, Taylor, S.S.
Deposit date:2012-10-24
Release date:2013-03-20
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Phosphoryl transfer by protein kinase a is captured in a crystal lattice.
J.Am.Chem.Soc., 135, 2013
4HKQ
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BU of 4hkq by Molmil
XMRV reverse transcriptase in complex with RNA/DNA hybrid
Descriptor: DNA (5'-D(*TP*GP*GP*AP*AP*TP*CP*A*GP*GP*TP*GP*TP*CP*GP*CP*AP*CP*TP*CP*TP*G)-3'), RNA (5'-R(*AP*AP*CP*AP*GP*AP*GP*UP*GP*CP*GP*AP*CP*AP*CP*CP*UP*GP*AP*UP*UP*CP*CP*AP*U)-3'), Reverse transcriptase/ribonuclease H p80
Authors:Nowak, E, Potrzebowski, W, Konarev, P.V, Rausch, J.W, Bona, M.K, Svergun, D.I, Bujnicki, J.M, Le Grice, S.F.J, Nowotny, M.
Deposit date:2012-10-15
Release date:2013-02-20
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3.04 Å)
Cite:Structural analysis of monomeric retroviral reverse transcriptase in complex with an RNA/DNA hybrid
Nucleic Acids Res., 41, 2013
3BOI
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BU of 3boi by Molmil
Snow Flea Antifreeze Protein Racemate
Descriptor: 6.5 kDa glycine-rich antifreeze protein
Authors:Pentelute, B.L, Kent, S.B.H, Gates, Z.P, Tereshko, V, Kossiakoff, A.A, Kurutz, J, Dashnau, J, Vaderkooi, J.M.
Deposit date:2007-12-17
Release date:2008-09-23
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1 Å)
Cite:X-ray structure of snow flea antifreeze protein determined by racemic crystallization of synthetic protein enantiomers
J.Am.Chem.Soc., 130, 2008

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