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4GJ2
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BU of 4gj2 by Molmil
Tyk2 (JH1) in complex with 2,6-dichloro-N-[2-({[(1R,2R)-2-fluorocyclopropyl]carbonyl}amino)pyridin-4-yl]benzamide
Descriptor: 2,6-dichloro-N-[2-({[(1R,2R)-2-fluorocyclopropyl]carbonyl}amino)pyridin-4-yl]benzamide, Non-receptor tyrosine-protein kinase TYK2
Authors:Ultsch, M.H.
Deposit date:2012-08-09
Release date:2013-05-29
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Lead Optimization of a 4-Aminopyridine Benzamide Scaffold To Identify Potent, Selective, and Orally Bioavailable TYK2 Inhibitors.
J.Med.Chem., 56, 2013
4GII
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BU of 4gii by Molmil
Tyk2 (JH1) in complex with 2,6-dichloro-4-cyano-N-{2-[(cyclopropylcarbonyl)amino]pyridin-4-yl}benzamide
Descriptor: 2,6-dichloro-4-cyano-N-{2-[(cyclopropylcarbonyl)amino]pyridin-4-yl}benzamide, Non-receptor tyrosine-protein kinase TYK2
Authors:Ultsch, M.H.
Deposit date:2012-08-08
Release date:2013-05-29
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:Lead Optimization of a 4-Aminopyridine Benzamide Scaffold To Identify Potent, Selective, and Orally Bioavailable TYK2 Inhibitors.
J.Med.Chem., 56, 2013
5T9G
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BU of 5t9g by Molmil
Crystal structure of BuGH2Cwt in complex with Galactoisofagomine
Descriptor: 1,2-ETHANEDIOL, D-galacto-isofagomine, Glycoside Hydrolase
Authors:Pluvinage, B, Boraston, A.B.
Deposit date:2016-09-09
Release date:2017-09-13
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Molecular basis of an agarose metabolic pathway acquired by a human intestinal symbiont.
Nat Commun, 9, 2018
5TA7
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BU of 5ta7 by Molmil
Crystal structure of BuGH117Bwt
Descriptor: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Glycoside Hydrolase, ...
Authors:Pluvinage, B, Boraston, A.B.
Deposit date:2016-09-09
Release date:2017-09-13
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Molecular basis of an agarose metabolic pathway acquired by a human intestinal symbiont.
Nat Commun, 9, 2018
5T9A
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BU of 5t9a by Molmil
Crystal structure of BuGH2Cwt
Descriptor: 1,2-ETHANEDIOL, Glycoside Hydrolase, SULFATE ION
Authors:Pluvinage, B, Boraston, A.B, Abbott, W.D.
Deposit date:2016-09-09
Release date:2017-09-13
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Molecular basis of an agarose metabolic pathway acquired by a human intestinal symbiont.
Nat Commun, 9, 2018
5TA0
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BU of 5ta0 by Molmil
Crystal structure of BuGH86E322Q in complex with neoagarooctaose
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, GLYCEROL, ...
Authors:Pluvinage, B, Boraston, A.B, Abbott, W.D.
Deposit date:2016-09-09
Release date:2017-09-13
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Molecular basis of an agarose metabolic pathway acquired by a human intestinal symbiont.
Nat Commun, 9, 2018
5T98
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BU of 5t98 by Molmil
Crystal structure of BuGH2Awt
Descriptor: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Glycoside Hydrolase
Authors:Pluvinage, B, Boraston, A.B.
Deposit date:2016-09-09
Release date:2017-09-13
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Molecular basis of an agarose metabolic pathway acquired by a human intestinal symbiont.
Nat Commun, 9, 2018
5TA1
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BU of 5ta1 by Molmil
Crystal structure of BuGH86wt
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, GLYCEROL, ...
Authors:Pluvinage, B, Boraston, A.B.
Deposit date:2016-09-09
Release date:2017-09-13
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Molecular basis of an agarose metabolic pathway acquired by a human intestinal symbiont.
Nat Commun, 9, 2018
5TA9
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BU of 5ta9 by Molmil
Crystal structure of BuGH117Bwt in complex with neoagarobiose
Descriptor: 3,6-anhydro-alpha-L-galactopyranose, Glycoside Hydrolase, MAGNESIUM ION, ...
Authors:Pluvinage, B, Boraston, A.B.
Deposit date:2016-09-09
Release date:2017-09-13
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Molecular basis of an agarose metabolic pathway acquired by a human intestinal symbiont.
Nat Commun, 9, 2018
7RP3
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BU of 7rp3 by Molmil
Crystal structure of GNE-1952 alkylated KRAS G12C in complex with 2H11 CLAMP
Descriptor: 1,2-ETHANEDIOL, 1-[4-[6-chloranyl-7-(5-methyl-1~{H}-indazol-4-yl)quinazolin-4-yl]piperazin-1-yl]propan-1-one, GLYCEROL, ...
Authors:Oh, A, Tam, C, Wang, W.
Deposit date:2021-08-03
Release date:2022-03-16
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2 Å)
Cite:Conformation-locking antibodies for the discovery and characterization of KRAS inhibitors.
Nat.Biotechnol., 40, 2022
7RP2
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BU of 7rp2 by Molmil
Crystal structure of Kas G12C in complex with 2H11 CLAMP
Descriptor: 1,2-ETHANEDIOL, CACODYLATE ION, GTPase KRas, ...
Authors:Oh, A, Tam, C, Wang, W.
Deposit date:2021-08-03
Release date:2022-03-16
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Conformation-locking antibodies for the discovery and characterization of KRAS inhibitors.
Nat.Biotechnol., 40, 2022
7RP4
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BU of 7rp4 by Molmil
Crystal structure of KRAS G12C in complex with GNE-1952
Descriptor: 1-[4-[6-chloranyl-7-(5-methyl-1~{H}-indazol-4-yl)quinazolin-4-yl]piperazin-1-yl]propan-1-one, GLYCEROL, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Oh, A, Tam, C, Wang, W.
Deposit date:2021-08-03
Release date:2022-03-16
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Conformation-locking antibodies for the discovery and characterization of KRAS inhibitors.
Nat.Biotechnol., 40, 2022
4GVJ
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BU of 4gvj by Molmil
Tyk2 (JH1) in complex with adenosine di-phosphate
Descriptor: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Non-receptor tyrosine-protein kinase TYK2
Authors:Liang, J, Abbema, A.V, Bao, L, Barrett, K, Beresini, M, Berezhkovskiy, L, Blair, W, Chang, C, Driscoll, J, Eigenbrot, C, Ghilardi, N, Gibbons, P, Halladay, J, Johnson, A, Kohli, P.B, Lai, Y, Liimatta, M, Mantik, P, Menghrajani, K, Murray, J, Sambrone, A, Shao, Y, Shia, S, Shin, Y, Smith, J, Sohn, S, Stanley, M, Tsui, V, Ultsch, M, Wu, L, Zhang, B, Magnuson, S.
Deposit date:2012-08-30
Release date:2013-08-14
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Lead identification of novel and selective TYK2 inhibitors.
Eur.J.Med.Chem., 67, 2013
4GJ3
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BU of 4gj3 by Molmil
Tyk2 (JH1) in complex with 2,6-dichloro-4-cyano-N-[2-({[(1R,2R)-2-fluorocyclopropyl]carbonyl}amino)pyridin-4-yl]benzamide
Descriptor: 2,6-dichloro-4-cyano-N-[2-({[(1R,2R)-2-fluorocyclopropyl]carbonyl}amino)pyridin-4-yl]benzamide, Non-receptor tyrosine-protein kinase TYK2
Authors:Ultsch, M.H.
Deposit date:2012-08-09
Release date:2013-05-29
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Lead Optimization of a 4-Aminopyridine Benzamide Scaffold To Identify Potent, Selective, and Orally Bioavailable TYK2 Inhibitors.
J.Med.Chem., 56, 2013
4ZXO
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BU of 4zxo by Molmil
The structure of a GH26 beta-mannanase from Bacteroides ovatus, BoMan26A.
Descriptor: Glycosyl hydrolase family 26, PHOSPHATE ION, POTASSIUM ION
Authors:Bagenholm, V, Aurelius, O, Logan, D.T, Bouraoui, H, Stalbrand, H.
Deposit date:2015-05-20
Release date:2016-06-29
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Galactomannan Catabolism Conferred by a Polysaccharide Utilization Locus of Bacteroides ovatus: ENZYME SYNERGY AND CRYSTAL STRUCTURE OF A beta-MANNANASE.
J. Biol. Chem., 292, 2017
4ZUA
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BU of 4zua by Molmil
Crystal structure of the ExsA regulatory domain
Descriptor: Exoenzyme S synthesis regulatory protein ExsA
Authors:Schubot, F.D.
Deposit date:2015-05-15
Release date:2016-02-03
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural Analysis of the Regulatory Domain of ExsA, a Key Transcriptional Regulator of the Type Three Secretion System in Pseudomonas aeruginosa.
Plos One, 10, 2015
5T99
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BU of 5t99 by Molmil
Crystal structure of BuGH2Awt in complex with Galactoisofagomine
Descriptor: 1,2-ETHANEDIOL, D-galacto-isofagomine, Glycoside Hydrolase
Authors:Pluvinage, B, Boraston, A.B.
Deposit date:2016-09-09
Release date:2017-09-13
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Molecular basis of an agarose metabolic pathway acquired by a human intestinal symbiont.
Nat Commun, 9, 2018
5TA5
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BU of 5ta5 by Molmil
Crystal structure of BuGH86wt in complex with neoagarooctaose
Descriptor: 1,2-ETHANEDIOL, 3,6-anhydro-alpha-L-galactopyranose-(1-3)-beta-D-galactopyranose, CALCIUM ION, ...
Authors:Pluvinage, B, Boraston, A.B.
Deposit date:2016-09-09
Release date:2017-09-13
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Molecular basis of an agarose metabolic pathway acquired by a human intestinal symbiont.
Nat Commun, 9, 2018
5T9X
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BU of 5t9x by Molmil
Crystal structure of BuGH16Bwt
Descriptor: Glycoside Hydrolase, IMIDAZOLE, SODIUM ION
Authors:Pluvinage, B, Boraston, A.B.
Deposit date:2016-09-09
Release date:2017-09-13
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Molecular basis of an agarose metabolic pathway acquired by a human intestinal symbiont.
Nat Commun, 9, 2018
8K3D
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BU of 8k3d by Molmil
Crystal structure of NRF1 DBD bound to DNA
Descriptor: DNA (5'-D(*GP*GP*TP*GP*CP*GP*CP*AP*TP*GP*CP*GP*CP*AP*CP*C)-3'), Nuclear respiratory factor 1
Authors:Li, W.F, Liu, K, Min, J.R.
Deposit date:2023-07-15
Release date:2023-12-06
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Molecular mechanism of specific DNA sequence recognition by NRF1.
Nucleic Acids Res., 52, 2024
8K4L
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BU of 8k4l by Molmil
Crystal structure of NRF1 homodimer in complex with DNA
Descriptor: DNA (14-MER), GLYCEROL, Nuclear respiratory factor 1
Authors:Liu, K, Li, W.F, Min, J.R.
Deposit date:2023-07-19
Release date:2023-12-06
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Molecular mechanism of specific DNA sequence recognition by NRF1.
Nucleic Acids Res., 52, 2024
4GIH
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BU of 4gih by Molmil
Tyk2 (JH1) in complex with 2,6-DICHLORO-N-{2-[(CYCLOPROPYLCARBONYL)AMINO]PYRIDIN-4-YL}BENZAMIDE
Descriptor: 2,6-dichloro-N-{2-[(cyclopropylcarbonyl)amino]pyridin-4-yl}benzamide, Non-receptor tyrosine-protein kinase TYK2
Authors:Ultsch, M.H.
Deposit date:2012-08-08
Release date:2013-06-19
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Lead identification of novel and selective TYK2 inhibitors.
Eur.J.Med.Chem., 67, 2013
4GFM
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BU of 4gfm by Molmil
JAK2 kinase (JH1 domain) with 2,6-DICHLORO-N-(2-OXO-2,5-DIHYDROPYRIDIN-4-YL)BENZAMIDE
Descriptor: 2,6-dichloro-N-(2-oxo-2,5-dihydropyridin-4-yl)benzamide, Tyrosine-protein kinase JAK2
Authors:Eigenbrot, C, Ultsch, M.
Deposit date:2012-08-03
Release date:2013-06-19
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Lead identification of novel and selective TYK2 inhibitors.
Eur.J.Med.Chem., 67, 2013
4I1L
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BU of 4i1l by Molmil
Structural and Biological Features of FOXP3 Dimerization Relevant to Regulatory T Cell Function
Descriptor: ACETATE ION, Forkhead box protein P3, MAGNESIUM ION, ...
Authors:Song, X.M, Greene, M.I, Zhou, Z.C.
Deposit date:2012-11-21
Release date:2012-12-05
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural and biological features of FOXP3 dimerization relevant to regulatory T cell function.
Cell Rep, 1, 2012
4GMY
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BU of 4gmy by Molmil
JAK2 kinase (JH1 domain) in complex with 2,6-DICHLORO-N-{2-[(CYCLOPROPYLCARBONYL)AMINO]PYRIDIN-4-YL}BENZAMIDE
Descriptor: 2,6-dichloro-N-{2-[(cyclopropylcarbonyl)amino]pyridin-4-yl}benzamide, Tyrosine-protein kinase JAK2
Authors:Murray, J.M, Shia, S.
Deposit date:2012-08-16
Release date:2013-06-19
Last modified:2013-08-07
Method:X-RAY DIFFRACTION (2.403 Å)
Cite:Lead identification of novel and selective TYK2 inhibitors.
Eur.J.Med.Chem., 67, 2013

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