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4NWM
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BU of 4nwm by Molmil
Crystal structure of Bruton agammaglobulinemia tyrosine kinase complexed with BMS-809959 aka 4-tert-butyl-n-[2-me thyl-3-(6-{[4-(morpholine-4-carbonyl)phenyl]amino}-9h- purin-2-yl)phenyl]benzamide
Descriptor: 4-tert-butyl-N-[2-methyl-3-(6-{[4-(morpholin-4-ylcarbonyl)phenyl]amino}-7H-purin-2-yl)phenyl]benzamide, Tyrosine-protein kinase BTK
Authors:Muckelbauer, J.K.
Deposit date:2013-12-06
Release date:2014-04-02
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Purine derivatives as potent Bruton's tyrosine kinase (BTK) inhibitors for autoimmune diseases.
Bioorg.Med.Chem.Lett., 24, 2014
1TAE
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BU of 1tae by Molmil
Structural rearrangement accompanying NAD+ synthesis within a bacterial DNA ligase crystal
Descriptor: DNA ligase, NAD-dependent, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
Authors:Gajiwala, K.S, Pinko, C.
Deposit date:2004-05-19
Release date:2004-11-23
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural rearrangement accompanying NAD+ synthesis within a bacterial DNA ligase crystal.
STRUCTURE, 12, 2004
1TA8
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BU of 1ta8 by Molmil
Structural rearrangement accompanying NAD+ synthesis within a bacterial DNA ligase crystal
Descriptor: BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE, DNA ligase, NAD-dependent, ...
Authors:Gajiwala, K.S, Pinko, C.
Deposit date:2004-05-19
Release date:2004-11-23
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural rearrangement accompanying NAD+ synthesis within a bacterial DNA ligase crystal.
STRUCTURE, 12, 2004
6KP7
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BU of 6kp7 by Molmil
Quadruple mutant (N51I+C59R+S108N+I164L) plasmodium falciparum dihydrofolate reductase-thymidylate synthase (PfDHFR-TS) complexed with B12154
Descriptor: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 2-[3-[3-[2,6-bis(azanyl)-5-(3-chlorophenyl)pyrimidin-4-yl]propoxy]phenoxy]ethanoic acid, Bifunctional dihydrofolate reductase-thymidylate synthase, ...
Authors:Vanichtanankul, J, Vitsupakorn, D.
Deposit date:2019-08-14
Release date:2019-12-04
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:6-Hydrophobic aromatic substituent pyrimethamine analogues as potential antimalarials for pyrimethamine-resistant Plasmodium falciparum.
Bioorg.Med.Chem., 27, 2019
6KP2
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BU of 6kp2 by Molmil
Quadruple mutant plasmodium falciparum dihydrofolate reductase complexed with B10042
Descriptor: 5-(3-chlorophenyl)-6-(3-phenoxypropyl)pyrimidine-2,4-diamine, Bifunctional dihydrofolate reductase-thymidylate synthase, GLYCEROL, ...
Authors:Vanichtanankul, J, Vitsupakorn, D.
Deposit date:2019-08-14
Release date:2019-12-04
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.973 Å)
Cite:6-Hydrophobic aromatic substituent pyrimethamine analogues as potential antimalarials for pyrimethamine-resistant Plasmodium falciparum.
Bioorg.Med.Chem., 27, 2019
6KOT
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BU of 6kot by Molmil
Quadruple mutant (N51I+C59R+S108N+I164L) plasmodium falciparum dihydrofolate reductase-thymidylate synthase (PfDHFR-TS) complexed with B12128 and NADPH
Descriptor: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 4-[3-[[2,6-bis(azanyl)-5-(3-chlorophenyl)pyrimidin-4-yl]methoxy]phenoxy]butanoic acid, Bifunctional dihydrofolate reductase-thymidylate synthase, ...
Authors:Vanichtanankul, J, Vitsupakorn, D.
Deposit date:2019-08-13
Release date:2019-12-04
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.149 Å)
Cite:6-Hydrophobic aromatic substituent pyrimethamine analogues as potential antimalarials for pyrimethamine-resistant Plasmodium falciparum.
Bioorg.Med.Chem., 27, 2019
6KPR
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BU of 6kpr by Molmil
Quadruple mutant (N51I+C59R+S108N+I164L) plasmodium falciparum dihydrofolate reductase-thymidylate synthase (PfDHFR-TS) complexed with B12155 inhibitor
Descriptor: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 4-[3-[3-[2,6-bis(azanyl)-5-(3-chlorophenyl)pyrimidin-4-yl]propoxy]phenoxy]butanoic acid, Bifunctional dihydrofolate reductase-thymidylate synthase, ...
Authors:Vanichtanankul, J, Vitsupakorn, D.
Deposit date:2019-08-15
Release date:2019-12-04
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:6-Hydrophobic aromatic substituent pyrimethamine analogues as potential antimalarials for pyrimethamine-resistant Plasmodium falciparum.
Bioorg.Med.Chem., 27, 2019
3QYF
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BU of 3qyf by Molmil
Crystal structure of the CRISPR-associated protein SSO1393 from Sulfolobus solfataricus
Descriptor: CRISPR-ASSOCIATED PROTEIN, MAGNESIUM ION
Authors:Petit, P, Xu, X, Chang, C, Savchenko, A, Yakunin, A.F.
Deposit date:2011-03-03
Release date:2011-03-23
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of the CRISPR-associated protein SSO1393 from Sulfolobus solfataricus
To be Published
3I9S
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BU of 3i9s by Molmil
Structure from the mobile metagenome of V.cholerae. Integron cassette protein VCH_CASS6
Descriptor: CHLORIDE ION, Integron cassette protein, SULFATE ION
Authors:Deshpande, C.N, Sureshan, V, Harrop, S.J, Boucher, Y, Xu, X, Cui, H, Edwards, A, Savchenko, A, Joachimiak, A, Chang, C, Stokes, H.W, Curmi, P.M.G, Mabbutt, B.C, Midwest Center for Structural Genomics (MCSG)
Deposit date:2009-07-13
Release date:2009-08-11
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure from the mobile metagenome of V.cholerae. Integron cassette protein VCH_CASS6
To be Published
4OEA
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BU of 4oea by Molmil
Crystal structure of AR-LBD
Descriptor: 5-ALPHA-DIHYDROTESTOSTERONE, Androgen receptor
Authors:Liu, J.S, Hsu, C.L, Wu, W.G.
Deposit date:2014-01-12
Release date:2014-08-20
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:Identification of a new androgen receptor (AR) co-regulator BUD31 and related peptides to suppress wild-type and mutated AR-mediated prostate cancer growth via peptide screening and X-ray structure analysis.
Mol Oncol, 8, 2014
4OFR
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BU of 4ofr by Molmil
Crystal structure of AR-LBD bound with co-regulator peptide
Descriptor: 5-ALPHA-DIHYDROTESTOSTERONE, Androgen receptor, co-regulator peptide
Authors:Liu, J.S, Hsu, C.L, Wu, W.G.
Deposit date:2014-01-15
Release date:2014-08-20
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Identification of a new androgen receptor (AR) co-regulator BUD31 and related peptides to suppress wild-type and mutated AR-mediated prostate cancer growth via peptide screening and X-ray structure analysis.
Mol Oncol, 8, 2014
4OFU
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BU of 4ofu by Molmil
Crystal structure of AR-LBD bound with co-regulator peptide
Descriptor: 5-ALPHA-DIHYDROTESTOSTERONE, Androgen receptor, co-regulator peptide
Authors:Liu, J.S, Hsu, C.L, Wu, W.G.
Deposit date:2014-01-15
Release date:2014-08-20
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:Identification of a new androgen receptor (AR) co-regulator BUD31 and related peptides to suppress wild-type and mutated AR-mediated prostate cancer growth via peptide screening and X-ray structure analysis.
Mol Oncol, 8, 2014
4OPF
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BU of 4opf by Molmil
Streptomcyes albus JA3453 oxazolomycin ketosynthase domain OzmH KS8
Descriptor: NRPS/PKS
Authors:Osipiuk, J, Bigelow, L, Endres, M, Babnigg, G, Bingman, C.A, Yennamalli, R, Lohman, J.R, Ma, M, Shen, B, Phillips Jr, G.N, Joachimiak, A, Midwest Center for Structural Genomics (MCSG), Enzyme Discovery for Natural Product Biosynthesis (NatPro)
Deposit date:2014-02-05
Release date:2014-02-19
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:Structural and evolutionary relationships of "AT-less" type I polyketide synthase ketosynthases.
Proc.Natl.Acad.Sci.USA, 112, 2015
4OH5
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BU of 4oh5 by Molmil
Crystal structure of T877A-AR-LBD bound with co-regulator peptide
Descriptor: Androgen receptor, HYDROXYFLUTAMIDE, SULFATE ION, ...
Authors:Liu, J.S, Hsu, C.L, Wu, W.G.
Deposit date:2014-01-17
Release date:2014-08-20
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Identification of a new androgen receptor (AR) co-regulator BUD31 and related peptides to suppress wild-type and mutated AR-mediated prostate cancer growth via peptide screening and X-ray structure analysis.
Mol Oncol, 8, 2014
4OHA
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BU of 4oha by Molmil
Crystal structure of T877A-AR-LBD bound with co-regulator peptide
Descriptor: Androgen receptor, HYDROXYFLUTAMIDE, SULFATE ION, ...
Authors:Liu, J.S, Hsu, C.L, Wu, W.G.
Deposit date:2014-01-17
Release date:2014-08-20
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Identification of a new androgen receptor (AR) co-regulator BUD31 and related peptides to suppress wild-type and mutated AR-mediated prostate cancer growth via peptide screening and X-ray structure analysis.
Mol Oncol, 8, 2014
4OJ9
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BU of 4oj9 by Molmil
Crystal structure of T877A-AR-LBD bound with co-regulator peptide
Descriptor: Androgen receptor, GLYCEROL, HYDROXYFLUTAMIDE, ...
Authors:Liu, J.S, Hsu, C.L, Wu, W.G.
Deposit date:2014-01-20
Release date:2014-08-20
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3.31 Å)
Cite:Identification of a new androgen receptor (AR) co-regulator BUD31 and related peptides to suppress wild-type and mutated AR-mediated prostate cancer growth via peptide screening and X-ray structure analysis.
Mol Oncol, 8, 2014
4OPE
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BU of 4ope by Molmil
Streptomcyes albus JA3453 oxazolomycin ketosynthase domain OzmH KS7
Descriptor: NITRATE ION, NRPS/PKS
Authors:Osipiuk, J, Mack, J, Endres, M, Babnigg, G, Bingman, C.A, Yennamalli, R, Lohman, J.R, Ma, M, Shen, B, Phillips Jr, G.N, Joachimiak, A, Midwest Center for Structural Genomics (MCSG), Enzyme Discovery for Natural Product Biosynthesis (NatPro)
Deposit date:2014-02-05
Release date:2014-02-19
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (2.58 Å)
Cite:Structural and evolutionary relationships of "AT-less" type I polyketide synthase ketosynthases.
Proc.Natl.Acad.Sci.USA, 112, 2015
4OGH
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BU of 4ogh by Molmil
Crystal structure of T877A-AR-LBD
Descriptor: Androgen receptor, HYDROXYFLUTAMIDE, SULFATE ION
Authors:Liu, J.S, Hsu, C.L, Wu, W.G.
Deposit date:2014-01-16
Release date:2014-08-20
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.98 Å)
Cite:Identification of a new androgen receptor (AR) co-regulator BUD31 and related peptides to suppress wild-type and mutated AR-mediated prostate cancer growth via peptide screening and X-ray structure analysis.
Mol Oncol, 8, 2014
2JQL
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BU of 2jql by Molmil
NMR structure of the yeast Dun1 FHA domain in complex with a doubly phosphorylated (pT) peptide derived from Rad53 SCD1
Descriptor: DNA damage response protein kinase DUN1, Serine/threonine-protein kinase RAD53
Authors:Yuan, C, Lee, H, Chang, C, Heierhorst, J, Tsai, M.
Deposit date:2007-06-02
Release date:2008-06-24
Last modified:2024-11-06
Method:SOLUTION NMR
Cite:Diphosphothreonine-specific interaction between an SQ/TQ cluster and an FHA domain in the Rad53-Dun1 kinase cascade.
Mol.Cell, 30, 2008
4OKX
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BU of 4okx by Molmil
Crystal structure of W741L-AR-LBD bound with co-regulator peptide
Descriptor: Androgen receptor, R-BICALUTAMIDE, SULFATE ION, ...
Authors:Liu, J.S, Hsu, C.L, Wu, W.G.
Deposit date:2014-01-23
Release date:2014-08-20
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Identification of a new androgen receptor (AR) co-regulator BUD31 and related peptides to suppress wild-type and mutated AR-mediated prostate cancer growth via peptide screening and X-ray structure analysis.
Mol Oncol, 8, 2014
4OEZ
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BU of 4oez by Molmil
Crystal structure of AR-LBD bound with co-regulator peptide
Descriptor: 5-ALPHA-DIHYDROTESTOSTERONE, Androgen receptor, SULFATE ION, ...
Authors:Liu, J.S, Hsu, C.L, Wu, W.G.
Deposit date:2014-01-14
Release date:2014-08-20
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Identification of a new androgen receptor (AR) co-regulator BUD31 and related peptides to suppress wild-type and mutated AR-mediated prostate cancer growth via peptide screening and X-ray structure analysis.
Mol Oncol, 8, 2014
4OI8
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BU of 4oi8 by Molmil
RAGE is a nucleic acid receptor that promotes inflammatory responses to DNA.
Descriptor: 5'-D(*CP*CP*AP*TP*GP*AP*CP*TP*GP*TP*AP*GP*GP*AP*AP*AP*CP*TP*CP*TP*AP*GP*A)-3', 5'-D(*CP*TP*CP*TP*AP*GP*AP*GP*TP*TP*TP*CP*CP*TP*AP*CP*AP*GP*TP*CP*AP*TP*G)-3', Advanced glycosylation end product-specific receptor
Authors:Jin, T, Jiang, J, Xiao, T.
Deposit date:2014-01-19
Release date:2014-04-30
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (3.101 Å)
Cite:RAGE is a nucleic acid receptor that promotes inflammatory responses to DNA.
J.Exp.Med., 210, 2013
4OQJ
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BU of 4oqj by Molmil
Streptomcyes albus JA3453 oxazolomycin ketosynthase domain OzmQ KS1
Descriptor: GLYCEROL, PHOSPHATE ION, PKS, ...
Authors:Nocek, B, Mack, J, Endras, M, Babnigg, G, Bingman, C.A, Yennamalli, R, Lohman, J.R, Ma, M, Shen, B, Phillips Jr, G.N, Joachimiak, A, Midwest Center for Structural Genomics (MCSG), Enzyme Discovery for Natural Product Biosynthesis (NatPro)
Deposit date:2014-02-09
Release date:2014-03-19
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.904 Å)
Cite:Structural and evolutionary relationships of "AT-less" type I polyketide synthase ketosynthases.
Proc.Natl.Acad.Sci.USA, 112, 2015
4OED
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BU of 4oed by Molmil
Crystal structure of AR-LBD bound with co-regulator peptide
Descriptor: 5-ALPHA-DIHYDROTESTOSTERONE, Androgen receptor, Protein BUD31 homolog, ...
Authors:Liu, J.S, Hsu, C.L, Wu, W.G.
Deposit date:2014-01-13
Release date:2014-08-20
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.79 Å)
Cite:Identification of a new androgen receptor (AR) co-regulator BUD31 and related peptides to suppress wild-type and mutated AR-mediated prostate cancer growth via peptide screening and X-ray structure analysis.
Mol Oncol, 8, 2014
4OKW
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BU of 4okw by Molmil
Crystal structure of W741L-AR-LBD bound with co-regulator peptide
Descriptor: Androgen receptor, R-BICALUTAMIDE, co-regulator peptide
Authors:Liu, J.S, Hsu, C.L, Wu, W.G.
Deposit date:2014-01-23
Release date:2014-08-20
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Identification of a new androgen receptor (AR) co-regulator BUD31 and related peptides to suppress wild-type and mutated AR-mediated prostate cancer growth via peptide screening and X-ray structure analysis.
Mol Oncol, 8, 2014

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