4IVB
 
 | | JAK1 kinase (JH1 domain) in complex with the inhibitor TRANS-4-{2-[(1R)-1-HYDROXYETHYL]IMIDAZO[4,5-D]PYRROLO[2,3-B]PYRIDIN-1(6H)-YL}CYCLOHEXANECARBONITRILE | | Descriptor: | Tyrosine-protein kinase JAK1, trans-4-{2-[(1R)-1-hydroxyethyl]imidazo[4,5-d]pyrrolo[2,3-b]pyridin-1(6H)-yl}cyclohexanecarbonitrile | | Authors: | Eigenbrot, C, Steffek, M. | | Deposit date: | 2013-01-22 | | Release date: | 2013-05-22 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Identification of C-2 Hydroxyethyl Imidazopyrrolopyridines as Potent JAK1 Inhibitors with Favorable Physicochemical Properties and High Selectivity over JAK2.
J.Med.Chem., 56, 2013
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4IVC
 | | JAK1 kinase (JH1 domain) in complex with the inhibitor (TRANS-4-{2-[(1R)-1-HYDROXYETHYL]IMIDAZO[4,5-D]PYRROLO[2,3-B]PYRIDIN-1(6H)-YL}CYCLOHEXYL)ACETONITRILE | | Descriptor: | (trans-4-{2-[(1R)-1-hydroxyethyl]imidazo[4,5-d]pyrrolo[2,3-b]pyridin-1(6H)-yl}cyclohexyl)acetonitrile, Tyrosine-protein kinase JAK1 | | Authors: | Eigenbrot, C, Shia, S. | | Deposit date: | 2013-01-22 | | Release date: | 2013-05-22 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Identification of C-2 Hydroxyethyl Imidazopyrrolopyridines as Potent JAK1 Inhibitors with Favorable Physicochemical Properties and High Selectivity over JAK2.
J.Med.Chem., 56, 2013
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8E4V
 | | Solution structure of the WH domain of MORF | | Descriptor: | Isoform 3 of Histone acetyltransferase KAT6B | | Authors: | Zhang, Y, Kutateladze, T.G. | | Deposit date: | 2022-08-19 | | Release date: | 2023-05-10 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | MORF and MOZ acetyltransferases target unmethylated CpG islands through the winged helix domain.
Nat Commun, 14, 2023
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3QYF
 | | 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
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8DEH
 | | Ankyrin domain of SKD3 | | Descriptor: | Caseinolytic peptidase B protein homolog | | Authors: | Lee, S, Tsai, F.T.F. | | Deposit date: | 2022-06-20 | | Release date: | 2023-04-19 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.815 Å) | | Cite: | Structural basis of impaired disaggregase function in the oxidation-sensitive SKD3 mutant causing 3-methylglutaconic aciduria.
Nat Commun, 14, 2023
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3I9S
 | | 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: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structure from the mobile metagenome of V.cholerae. Integron cassette protein VCH_CASS6
To be Published
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4EVR
 | | Crystal structure of ABC transporter from R. palustris - solute binding protein (RPA0668) in complex with benzoate | | Descriptor: | BENZOIC ACID, Putative ABC transporter subunit, substrate-binding component | | Authors: | Michalska, K, Mack, J.C, Zerbs, S, Collart, F.R, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2012-04-26 | | Release date: | 2012-05-23 | | Last modified: | 2013-01-09 | | Method: | X-RAY DIFFRACTION (1.84 Å) | | Cite: | Characterization of transport proteins for aromatic compounds derived from lignin: benzoate derivative binding proteins.
J.Mol.Biol., 423, 2012
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4OKW
 | | 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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3TX6
 | | The Structure of a putative ABC-transporter periplasmic component from Rhodopseudomonas palustris | | Descriptor: | 1,2-ETHANEDIOL, 3-(4-HYDROXY-PHENYL)PYRUVIC ACID, ACETIC ACID, ... | | Authors: | Cuff, M.E, Mack, J.C, Zerbs, S, Collart, F, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2011-09-22 | | Release date: | 2011-11-09 | | Last modified: | 2017-11-08 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Structural and functional characterization of solute binding proteins for aromatic compounds derived from lignin: p-Coumaric acid and related aromatic acids.
Proteins, 81, 2013
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4OEA
 | | 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
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4OFR
 | | 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
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4OFU
 | | 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
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4EVQ
 | | Crystal structure of ABC transporter from R. palustris - solute binding protein (RPA0668) in complex with 4-hydroxybenzoate | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, GLYCEROL, ... | | Authors: | Michalska, K, Mack, J.C, Zerbs, S, Collart, F.R, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2012-04-26 | | Release date: | 2012-05-23 | | Last modified: | 2013-01-09 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Characterization of transport proteins for aromatic compounds derived from lignin: benzoate derivative binding proteins.
J.Mol.Biol., 423, 2012
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4OK1
 | | 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: | 2014-01-21 | | Release date: | 2014-08-20 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.09 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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4OIU
 | | Crystal structure of T877A-AR-LBD bound with co-regulator peptide | | Descriptor: | Androgen receptor, HYDROXYFLUTAMIDE, co-regulator peptide | | Authors: | Liu, J.S, Hsu, C.L, Wu, W.G. | | Deposit date: | 2014-01-20 | | Release date: | 2014-08-20 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (3.01 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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4OKT
 | | 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: | 2014-01-22 | | Release date: | 2014-08-20 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.5 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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4OLM
 | | 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: | 2014-01-24 | | Release date: | 2014-08-20 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.8 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
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4OQJ
 | | 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: | 2016-11-02 | | 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
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5MMB
 | | Crystal structure of the Prototype Foamy Virus (PFV) intasome in complex with magnesium and the INSTI XZ434 (compound 6p) | | Descriptor: | DNA (5'-D(*AP*TP*TP*GP*TP*CP*AP*TP*GP*GP*AP*AP*TP*TP*TP*CP*GP*CP*A)-3'), DNA (5'-D(*TP*GP*CP*GP*AP*AP*AP*TP*TP*CP*CP*AP*TP*GP*AP*CP*A)-3'), GLYCEROL, ... | | Authors: | Maskell, D.P, Pye, V.E, Cherepanov, P. | | Deposit date: | 2016-12-09 | | Release date: | 2017-08-02 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.77 Å) | | Cite: | Structure-Guided Optimization of HIV Integrase Strand Transfer Inhibitors.
J. Med. Chem., 60, 2017
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4OPE
 | | 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
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4OH5
 | | 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
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4OHA
 | | 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
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4OJ9
 | | 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
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5MMA
 | | Crystal structure of the Prototype Foamy Virus (PFV) intasome in complex with magnesium and the INSTI XZ379 (compound 5'g) | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, DNA (5'-D(*AP*TP*TP*GP*TP*CP*AP*TP*GP*GP*AP*AP*TP*TP*TP*CP*GP*CP*A)-3'), DNA (5'-D(*TP*GP*CP*GP*AP*AP*AP*TP*TP*CP*CP*AP*TP*GP*AP*CP*A)-3'), ... | | Authors: | Maskell, D.P, Pye, V.E, Cherepanov, P. | | Deposit date: | 2016-12-09 | | Release date: | 2017-08-02 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Structure-Guided Optimization of HIV Integrase Strand Transfer Inhibitors.
J. Med. Chem., 60, 2017
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4OGH
 | | 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
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