4GFO
 
 | | TYK2 kinase (JH1 domain) with 2,6-DICHLORO-N-(2-OXO-2,5-DIHYDROPYRIDIN-4-YL)BENZAMIDE | | Descriptor: | 1,2-ETHANEDIOL, 2,6-dichloro-N-(2-oxo-2,5-dihydropyridin-4-yl)benzamide, GLYCEROL, ... | | Authors: | Eigenbrot, C, Ultsch, M. | | Deposit date: | 2012-08-03 | | Release date: | 2013-06-19 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Lead identification of novel and selective TYK2 inhibitors.
Eur.J.Med.Chem., 67, 2013
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7KX7
 | | Cryo-EM structure of Ephydatia fluviatilis PiwiA-piRNA complex | | Descriptor: | MAGNESIUM ION, Piwi-A, RNA (5'-R(P*UP*CP*UP*CP*AP*GP*(OMC))-3') | | Authors: | Anzelon, T.A, Chowdhury, S, Lander, G.C, MacRae, I.J. | | Deposit date: | 2020-12-03 | | Release date: | 2021-07-14 | | Last modified: | 2024-05-29 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | Structural basis for piRNA targeting.
Nature, 597, 2021
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7KX9
 | | Cryo-EM structure of Ephydatia fluviatilis PiwiA-piRNA-target complex | | Descriptor: | MAGNESIUM ION, Piwi-A, RNA (5'-R(P*UP*CP*UP*CP*UP*UP*GP*AP*GP*UP*UP*GP*GP*AP*CP*AP*AP*AP*UP*GP*GP*CP*AP*(OMG))-3'), ... | | Authors: | Anzelon, T.A, Chowdhury, S, Lander, G.C, MacRae, I.J. | | Deposit date: | 2020-12-03 | | Release date: | 2021-07-14 | | Last modified: | 2024-05-29 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Structural basis for piRNA targeting.
Nature, 597, 2021
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5IE2
 | | Crystal structure of a plant enzyme | | Descriptor: | ACETIC ACID, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Fan, M.R, Li, M, Chang, W.R. | | Deposit date: | 2016-02-24 | | Release date: | 2016-12-07 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Crystal Structures of Arabidopsis thaliana Oxalyl-CoA Synthetase Essential for Oxalate Degradation
Mol Plant, 9, 2016
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5IE0
 | | Crystal structure of a plant enzyme | | Descriptor: | Oxalate--CoA ligase, S,R MESO-TARTARIC ACID | | Authors: | Ran, M.R, Li, M, Chang, W.R. | | Deposit date: | 2016-02-24 | | Release date: | 2016-12-07 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal Structures of Arabidopsis thaliana Oxalyl-CoA Synthetase Essential for Oxalate Degradation
Mol Plant, 9, 2016
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5IE3
 | | Crystal structure of a plant enzyme | | Descriptor: | ADENOSINE MONOPHOSPHATE, OXALIC ACID, Oxalate--CoA ligase | | Authors: | Fan, M.R, Li, M, Chang, W.R. | | Deposit date: | 2016-02-24 | | Release date: | 2016-12-07 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal Structures of Arabidopsis thaliana Oxalyl-CoA Synthetase Essential for Oxalate Degradation
Mol Plant, 9, 2016
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3WFN
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6B4U
 | | Crystal structure of MCL-1 in complex with a BIM competitive inhibitor | | Descriptor: | 7-(2-methylphenyl)-1-[2-(morpholin-4-yl)ethyl]-3-{3-[(naphthalen-1-yl)oxy]propyl}-1H-indole-2-carboxylic acid, Induced myeloid leukemia cell differentiation protein Mcl-1 | | Authors: | Judge, R.A, Souers, A.J. | | Deposit date: | 2017-09-27 | | Release date: | 2017-10-04 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Structure-guided design of a series of MCL-1 inhibitors with high affinity and selectivity.
J. Med. Chem., 58, 2015
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6B4L
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4QVX
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6J18
 | | ATPase | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, ESX-5 secretion system protein EccC5, MAGNESIUM ION | | Authors: | Wang, S.H, Li, J, Rao, Z.H. | | Deposit date: | 2018-12-28 | | Release date: | 2019-12-04 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural insights into substrate recognition by the type VII secretion system.
Protein Cell, 11, 2020
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6J19
 | | ATPase | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, ESAT-6-like protein EsxB, ESX-1 secretion system protein EccCb1, ... | | Authors: | Wang, S.H, Li, J, Rao, Z.H. | | Deposit date: | 2018-12-28 | | Release date: | 2019-12-04 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.978 Å) | | Cite: | Structural insights into substrate recognition by the type VII secretion system.
Protein Cell, 11, 2020
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6JD5
 | | ATPase | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, ESX conserved component EccC2. ESX-2 type VII secretion system protein. Possible membrane protein, MAGNESIUM ION | | Authors: | Wang, S.H, Li, J, Rao, Z.H. | | Deposit date: | 2019-01-31 | | Release date: | 2019-12-04 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural insights into substrate recognition by the type VII secretion system.
Protein Cell, 11, 2020
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6J2P
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6J17
 | | ATPase | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, ESX-3 secretion system protein EccC3, MAGNESIUM ION | | Authors: | Wang, S.H, Li, J, Rao, Z.H. | | Deposit date: | 2018-12-28 | | Release date: | 2019-12-04 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.975 Å) | | Cite: | Structural insights into substrate recognition by the type VII secretion system.
Protein Cell, 11, 2020
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6J7J
 | | Crystal structure of Pseudomonas aeruginosa Earp | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Pseudomonas aeruginosa Earp | | Authors: | He, C, Li, F. | | Deposit date: | 2019-01-18 | | Release date: | 2019-05-15 | | Last modified: | 2019-06-26 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Complex Structure ofPseudomonas aeruginosaArginine Rhamnosyltransferase EarP with Its Acceptor Elongation Factor P.
J.Bacteriol., 201, 2019
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6J7K
 | | Crystal structure of Pseudomonas aeruginosa Earp in complex with TDP-Rha | | Descriptor: | 2'-DEOXY-THYMIDINE-BETA-L-RHAMNOSE, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Pseudomonas aeruginosa Earp | | Authors: | He, C, Li, F. | | Deposit date: | 2019-01-18 | | Release date: | 2019-05-15 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Complex Structure ofPseudomonas aeruginosaArginine Rhamnosyltransferase EarP with Its Acceptor Elongation Factor P.
J.Bacteriol., 201, 2019
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6J7L
 | | Crystal structure of Pseudomonas aeruginosa Earp in complex with TDP | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Pseudomonas aeruginosa Earp, THYMIDINE-5'-DIPHOSPHATE | | Authors: | He, C, Li, F. | | Deposit date: | 2019-01-18 | | Release date: | 2019-05-15 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.851 Å) | | Cite: | Complex Structure ofPseudomonas aeruginosaArginine Rhamnosyltransferase EarP with Its Acceptor Elongation Factor P.
J.Bacteriol., 201, 2019
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6JD4
 | | ATPase | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, ESX-1 secretion system protein EccCb1, MAGNESIUM ION | | Authors: | Wang, S.H, Li, J, Rao, Z.H. | | Deposit date: | 2019-01-31 | | Release date: | 2019-12-04 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural insights into substrate recognition by the type VII secretion system.
Protein Cell, 11, 2020
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6J7M
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4IVD
 | | JAK1 kinase (JH1 domain) in complex with compound 34 | | Descriptor: | 3-(trans-4-{2-[(1R)-1-hydroxyethyl]imidazo[4,5-d]pyrrolo[2,3-b]pyridin-1(6H)-yl}cyclohexyl)propanenitrile, Tyrosine-protein kinase JAK1 | | Authors: | Eigenbrot, C, Steffek, M. | | Deposit date: | 2013-01-22 | | Release date: | 2013-05-22 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.93 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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4IVA
 | | JAK2 kinase (JH1 domain) in complex with the inhibitor TRANS-4-[(8AS)-2-[(1R)-1-HYDROXYETHYL]IMIDAZO[4,5-D]PYRROLO[2,3-B]PYRIDIN-1(8AH)-YL]CYCLOHEXANECARBONITRILE | | Descriptor: | Tyrosine-protein kinase JAK2, trans-4-{2-[(1R)-1-hydroxyethyl]imidazo[4,5-d]pyrrolo[2,3-b]pyridin-1(6H)-yl}cyclohexanecarbonitrile | | Authors: | Eigenbrot, C, Shia, S. | | Deposit date: | 2013-01-22 | | Release date: | 2013-05-22 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.5 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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4JAI
 | | Crystal Structure of Aurora Kinase A in complex with N-{4-[(6-oxo-5,6-dihydrobenzo[c][1,8]naphthyridin-1-yl)amino]phenyl}benzamide | | Descriptor: | Aurora kinase A, N-{4-[(6-oxo-5,6-dihydrobenzo[c][1,8]naphthyridin-1-yl)amino]phenyl}benzamide | | Authors: | Jiang, X, Josephson, K, Huck, B, Goutopoulos, A, Karra, S. | | Deposit date: | 2013-02-18 | | Release date: | 2013-05-22 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | SAR and evaluation of novel 5H-benzo[c][1,8]naphthyridin-6-one analogs as Aurora kinase inhibitors.
Bioorg.Med.Chem.Lett., 23, 2013
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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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