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3QSK
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BU of 3qsk by Molmil
5 Histidine Variant of the anti-RNase A VHH in Complex with RNAse A
Descriptor: Engineered 5 Histidine anti-RNase A Camelid VHH Antibody Domain Variant, Ribonuclease pancreatic
Authors:Murtaugh, M.L, Fanning, S.W, Sharma, T.M, Terry, A.M, Horn, J.R.
Deposit date:2011-02-21
Release date:2011-08-10
Last modified:2011-11-30
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:A combinatorial histidine scanning library approach to engineer highly pH-dependent protein switches.
Protein Sci., 20, 2011
2SAM
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BU of 2sam by Molmil
STRUCTURE OF THE PROTEASE FROM SIMIAN IMMUNODEFICIENCY VIRUS: COMPLEX WITH AN IRREVERSIBLE NON-PEPTIDE INHIBITOR
Descriptor: 3-(4-NITRO-PHENOXY)-PROPAN-1-OL, SIV PROTEASE
Authors:Rose, R.B, Rose, J.R, Salto, R, Craik, C.S, Stroud, R.M.
Deposit date:1994-07-08
Release date:1994-10-15
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure of the protease from simian immunodeficiency virus: complex with an irreversible nonpeptide inhibitor.
Biochemistry, 32, 1993
2RN7
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BU of 2rn7 by Molmil
NMR solution structure of TnpE protein from Shigella flexneri. Northeast Structural Genomics Target SfR125
Descriptor: IS629 orfA
Authors:Ramelot, T.A, Cort, J.R, Semesi, A, Garcia, M, Yee, A.A, Arrowsmith, C.H, Kennedy, M.A, Northeast Structural Genomics Consortium (NESG)
Deposit date:2007-12-08
Release date:2008-01-15
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:NMR solution structure of TnpE protein from Shigella flexneri. Northeast Structural Genomics Target SfR125
To be Published
8FB4
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BU of 8fb4 by Molmil
Structure of an alternating AT 16-mer bound by diamidine DB1476: 5'-GCTGGATATATCCAGC-3
Descriptor: 4,4'-(1H-benzimidazole-2,6-diyl)di(benzene-1-carboximidamide), CALCIUM ION, DNA (5'-D(*GP*CP*TP*GP*GP*AP*TP*AP*TP*AP*TP*CP*CP*AP*GP*C)-3')
Authors:Terrell, J.R, Ogbonna, E.N, Wilson, W.D.
Deposit date:2022-11-29
Release date:2023-02-22
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:X-ray Structure Characterization of the Selective Recognition of AT Base Pair Sequences.
Acs Bio Med Chem Au, 3, 2023
8FS1
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BU of 8fs1 by Molmil
CamA Adenine Methyltransferase Complexed to Cognate Substrate DNA and Inhibitor 11a (YD905)
Descriptor: 1,2-ETHANEDIOL, 5'-S-{2-[N'-(cyclohexylmethyl)carbamimidamido]ethyl}-N-(3-phenylpropyl)-5'-thioadenosine, DNA (5'-D(*AP*TP*GP*GP*GP*AP*CP*TP*TP*TP*TP*TP*GP*A)-3'), ...
Authors:Zhou, J, Horton, J.R, Cheng, X.
Deposit date:2023-01-09
Release date:2023-05-10
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.74 Å)
Cite:Comparative Study of Adenosine Analogs as Inhibitors of Protein Arginine Methyltransferases and a Clostridioides difficile- Specific DNA Adenine Methyltransferase.
Acs Chem.Biol., 18, 2023
2PUQ
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BU of 2puq by Molmil
Crystal structure of active site inhibited coagulation factor VIIA in complex with soluble tissue factor
Descriptor: CALCIUM ION, Coagulation factor VII, TRP-TYR-THR-ARG CHLOROMETHYLKETONE INHIBITOR, ...
Authors:Bjelke, J.R, Rasmussen, H.B.
Deposit date:2007-05-09
Release date:2007-05-22
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Engineering the substrate and inhibitor specificities of human coagulation Factor VIIa
Biochem.J., 405, 2007
3PA6
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BU of 3pa6 by Molmil
Structure of the N-terminal BRCT domain of human microcephalin (MCPH1)
Descriptor: CHLORIDE ION, Microcephalin
Authors:Singh, N, Heroux, A, Thompson, J.R, Mer, G.
Deposit date:2010-10-18
Release date:2010-12-08
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structure of the N-terminal BRCT domain of human microcephalin (MCPH1)
To be Published
8FTG
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BU of 8ftg by Molmil
Biophysical and Structural Characterization of an Anti-Caffeine VHH Antibody
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Anti-Caffeine VHH Antibody, CAFFEINE, ...
Authors:Horn, J.R, Smith, C.A, Sonneson, G.J, Walter, R.
Deposit date:2023-01-12
Release date:2023-06-07
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.13 Å)
Cite:Molecular recognition requires dimerization of a VHH antibody.
Mabs, 15, 2023
8FS2
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BU of 8fs2 by Molmil
CamA Adenine Methyltransferase Complexed to Cognate Substrate DNA and Inhibitor 11b (YD907)
Descriptor: 1,2-ETHANEDIOL, 5'-S-{3-[N'-(cyclohexylmethyl)carbamimidamido]propyl}-N-(3-phenylpropyl)-5'-thioadenosine, DNA (5'-D(*TP*TP*CP*AP*AP*AP*AP*AP*GP*TP*CP*CP*CP*A)-3'), ...
Authors:Zhou, J, Horton, J.R, Cheng, X.
Deposit date:2023-01-09
Release date:2023-05-10
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.59 Å)
Cite:Comparative Study of Adenosine Analogs as Inhibitors of Protein Arginine Methyltransferases and a Clostridioides difficile- Specific DNA Adenine Methyltransferase.
Acs Chem.Biol., 18, 2023
2PPL
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BU of 2ppl by Molmil
Human Pancreatic lipase-related protein 1
Descriptor: CALCIUM ION, Pancreatic lipase-related protein 1, SODIUM ION
Authors:Walker, J.R, Davis, T, Seitova, A, Butler-Cole, C, Weigelt, J, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC)
Deposit date:2007-04-30
Release date:2007-06-05
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure of the Human Pancreatic Lipase-related Protein 1.
To be Published
3QXY
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BU of 3qxy by Molmil
Human SETD6 in complex with RelA Lys310
Descriptor: 1,2-ETHANEDIOL, N-lysine methyltransferase SETD6, S-ADENOSYLMETHIONINE, ...
Authors:Chang, Y, Levy, D, Horton, J.R, Peng, J, Zhang, X, Gozani, O, Cheng, X.
Deposit date:2011-03-02
Release date:2011-05-25
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Structural basis of SETD6-mediated regulation of the NF-kB network via methyl-lysine signaling.
Nucleic Acids Res., 39, 2011
3QXW
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BU of 3qxw by Molmil
Free structure of an anti-methotrexate CDR1-4 Graft VHH Antibody
Descriptor: Anti-Methotrexate CDR1-4 Graft VHH, SODIUM ION, SULFATE ION
Authors:Fanning, S.W, Horn, J.R.
Deposit date:2011-03-02
Release date:2011-07-27
Last modified:2019-12-25
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:An anti-hapten camelid antibody reveals a cryptic binding site with significant energetic contributions from a nonhypervariable loop.
Protein Sci., 20, 2011
3QXV
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BU of 3qxv by Molmil
Structure of an Anti-Methotrexate CDR1-4 Graft VHH Antibody in Complex with Methotrexate
Descriptor: Anti-Methotrexate CDR1-4 Graft VHH, METHOTREXATE, SULFATE ION
Authors:Fanning, S.W, Horn, J.R.
Deposit date:2011-03-02
Release date:2011-07-27
Last modified:2013-09-11
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:An anti-hapten camelid antibody reveals a cryptic binding site with significant energetic contributions from a nonhypervariable loop.
Protein Sci., 20, 2011
3QKL
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BU of 3qkl by Molmil
Spirochromane Akt Inhibitors
Descriptor: GSK-3 beta peptide, N-{(2S)-3-[(3S)-8',9'-dihydro-1H,3'H-spiro[piperidine-3,7'-pyrano[3,2-e]indazol]-1-yl]-2-hydroxypropyl}-N-(2-ethoxyethyl)-2,6-dimethylbenzenesulfonamide, RAC-alpha serine/threonine-protein kinase
Authors:Kallan, N.C, Spencer, K.L, Blake, J.F, Xu, R, Heizer, J, Bencsik, J.R, Mitchell, I.S, Gloor, S.L, Martinson, M, Risom, T, Gross, S.D, Morales, T, Vigers, G.P.A, Brandhuber, B.J, Skelton, N.J.
Deposit date:2011-02-01
Release date:2011-03-30
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Discovery and SAR of spirochromane Akt inhibitors.
Bioorg.Med.Chem.Lett., 21, 2011
3QBN
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BU of 3qbn by Molmil
Structure of Human Aurora A in Complex with a diaminopyrimidine
Descriptor: 5-chloro-N~4~-cyclopropyl-N~2~-[4-(2-methoxyethoxy)phenyl]pyrimidine-2,4-diamine, Serine/threonine-protein kinase 6
Authors:Gruetter, C, Simard, J.R, Rauh, D.
Deposit date:2011-01-13
Release date:2012-01-18
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Identification of Ustilago maydis Aurora kinase as a novel antifungal target.
Acs Chem.Biol., 6, 2011
2TRH
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BU of 2trh by Molmil
TERTIARY STRUCTURES OF THREE AMYLOIDOGENIC TRANSTHYRETIN VARIANTS AND IMPLICATIONS FOR AMYLOID FIBRIL FORMATION
Descriptor: TRANSTHYRETIN
Authors:Schormann, N, Murrell, J.R, Benson, M.D.
Deposit date:1996-10-16
Release date:1997-04-21
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Tertiary structures of amyloidogenic and non-amyloidogenic transthyretin variants: new model for amyloid fibril formation.
Amyloid, 5, 1998
2TRY
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BU of 2try by Molmil
TERTIARY STRUCTURES OF THREE AMYLOIDOGENIC TRANSTHYRETIN VARIANTS AND IMPLICATIONS FOR AMYLOID FIBRIL FORMATION
Descriptor: TRANSTHYRETIN
Authors:Schormann, N, Murrell, J.R, Benson, M.D.
Deposit date:1996-10-21
Release date:1997-04-21
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2 Å)
Cite:Tertiary structures of amyloidogenic and non-amyloidogenic transthyretin variants: new model for amyloid fibril formation.
Amyloid, 5, 1998
3RCO
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BU of 3rco by Molmil
Crystal structure of a conserved motif in human TDRD7
Descriptor: CHLORIDE ION, Tudor domain-containing protein 7
Authors:Dong, A, Xu, C, Walker, J.R, Lam, R, Guo, Y, Bian, C, Li, Y, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2011-03-31
Release date:2012-04-04
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of a conserved motif in human TDRD7
To be Published
2QOL
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BU of 2qol by Molmil
Human EphA3 kinase and juxtamembrane region, Y596:Y602:S768G triple mutant
Descriptor: Ephrin receptor
Authors:Davis, T, Walker, J.R, Newman, E.M, Mackenzie, F, Butler-Cole, C, Weigelt, J, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC)
Deposit date:2007-07-20
Release date:2007-08-28
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.07 Å)
Cite:Autoregulation by the Juxtamembrane Region of the Human Ephrin Receptor Tyrosine Kinase A3 (EphA3).
Structure, 16, 2008
8EKZ
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BU of 8ekz by Molmil
Human PU.1 ETS-Domain (165-270) Bound to d(AATAAGGAGAAGTAGG)
Descriptor: DNA (5'-D(*AP*AP*TP*AP*AP*GP*GP*AP*GP*AP*AP*GP*TP*AP*GP*G)-3'), DNA (5'-D(*TP*CP*CP*TP*AP*CP*TP*TP*CP*TP*CP*CP*TP*TP*AP*T)-3'), SODIUM ION, ...
Authors:Terrell, J.R, Poon, G.M.K.
Deposit date:2022-09-22
Release date:2023-07-05
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:DNA selection by the master transcription factor PU.1.
Cell Rep, 42, 2023
8EJ8
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BU of 8ej8 by Molmil
Human PU.1 ETS-Domain (165-270) Q226E Mutant Bound to d(AATAAAAGGAAGTGGG)
Descriptor: DNA (5'-D(*AP*AP*TP*AP*AP*AP*AP*GP*GP*AP*AP*GP*TP*GP*GP*G)-3'), DNA (5'-D(*TP*CP*CP*CP*AP*CP*TP*TP*CP*CP*TP*TP*TP*TP*AP*T)-3'), GLYCEROL, ...
Authors:Terrell, J.R, Poon, G.M.K.
Deposit date:2022-09-16
Release date:2023-07-05
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:DNA selection by the master transcription factor PU.1.
Cell Rep, 42, 2023
8EMD
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BU of 8emd by Molmil
Human PU.1 ETS-Domain (165-270) Q226E Mutant Bound to d(AATAAGCGGAAGTGGG)
Descriptor: DNA (5'-D(*AP*AP*TP*AP*AP*GP*CP*GP*GP*AP*AP*GP*TP*GP*GP*G)-3'), DNA (5'-D(*TP*CP*CP*CP*AP*CP*TP*TP*CP*CP*GP*CP*TP*TP*AP*T)-3'), SODIUM ION, ...
Authors:Terrell, J.R, Poon, G.M.K.
Deposit date:2022-09-27
Release date:2023-07-05
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:DNA selection by the master transcription factor PU.1.
Cell Rep, 42, 2023
8EK8
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BU of 8ek8 by Molmil
Human PU.1 ETS-Domain (165-270) Bound to d(AATAAAAGGAGAAGGG)
Descriptor: DNA (5'-D(*AP*TP*AP*AP*AP*AP*GP*GP*AP*GP*AP*AP*GP*GP*G)-3'), DNA (5'-D(P*CP*CP*CP*TP*TP*CP*TP*CP*CP*TP*TP*TP*TP*AP*T)-3'), Transcription factor PU.1
Authors:Terrell, J.R, Poon, G.M.K.
Deposit date:2022-09-20
Release date:2023-07-05
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.63 Å)
Cite:DNA selection by the master transcription factor PU.1.
Cell Rep, 42, 2023
8EO4
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BU of 8eo4 by Molmil
Human PU.1 ETS-Domain (165-270) Bound to d(AATAAGCGGAAGTGGG) with Di-methylated CpG sites
Descriptor: DNA (5'-D(*AP*AP*TP*AP*AP*GP*CP*GP*GP*AP*AP*GP*TP*GP*GP*G)-3'), DNA (5'-D(*TP*CP*CP*CP*AP*CP*TP*TP*CP*CP*GP*CP*TP*TP*AP*T)-3'), SODIUM ION, ...
Authors:Terrell, J.R, Poon, G.M.K.
Deposit date:2022-10-02
Release date:2023-07-05
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.24 Å)
Cite:DNA selection by the master transcription factor PU.1.
Cell Rep, 42, 2023
8EQK
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BU of 8eqk by Molmil
Human PU.1 ETS-Domain (165-270) Bound to d(AATAACCGGAAGTGGG)
Descriptor: DNA (5'-D(*AP*AP*TP*AP*AP*CP*CP*GP*GP*AP*AP*GP*TP*GP*GP*G)-3'), DNA (5'-D(*TP*CP*CP*CP*AP*CP*TP*TP*CP*CP*GP*GP*TP*TP*AP*T)-3'), SODIUM ION, ...
Authors:Terrell, J.R, Poon, G.M.K.
Deposit date:2022-10-07
Release date:2023-07-05
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:DNA selection by the master transcription factor PU.1.
Cell Rep, 42, 2023

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