4GJ3
 
 | | 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
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4GJ2
 | | 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
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1MKI
 | | Crystal Structure of Bacillus Subtilis Probable Glutaminase, APC1040 | | Descriptor: | 1,2-ETHANEDIOL, FORMIC ACID, Probable Glutaminase ybgJ | | Authors: | Kim, Y, Dementieva, I, Vinokour, E, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2002-08-29 | | Release date: | 2003-06-03 | | Last modified: | 2017-10-11 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Functional and structural characterization of four glutaminases from Escherichia coli and Bacillus subtilis.
Biochemistry, 47, 2008
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8BJZ
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8BSO
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6WQH
 | | Molecular basis for the ATPase-powered substrate translocation by the Lon AAA+ protease | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Ig2 substrate, Lon protease, ... | | Authors: | Zhang, K, Li, S, Hsiehb, K, Sub, S, Pintilie, G, Chiu, W, Chang, C. | | Deposit date: | 2020-04-28 | | Release date: | 2021-06-09 | | Last modified: | 2021-11-17 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | Molecular basis for ATPase-powered substrate translocation by the Lon AAA+ protease.
J.Biol.Chem., 297, 2021
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6DUX
 | | 2.25 Angstrom Resolution Crystal Structure of 6-phospho-alpha-glucosidase from Klebsiella pneumoniae in Complex with NAD. | | Descriptor: | (2S)-2-hydroxybutanedioic acid, 6-phospho-alpha-glucosidase, ACETATE ION, ... | | Authors: | Minasov, G, Shuvalova, L, Kiryukhina, O, Endres, M, Satchell, K.J.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2018-06-22 | | Release date: | 2018-07-04 | | Last modified: | 2023-06-14 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | A Structural Systems Biology Approach to High-Risk CG23 Klebsiella pneumoniae.
Microbiol Resour Announc, 12, 2023
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6DT3
 | | 1.2 Angstrom Resolution Crystal Structure of Nucleoside Triphosphatase NudI from Klebsiella pneumoniae in Complex with HEPES | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Nucleoside triphosphatase NudI | | Authors: | Minasov, G, Shuvalova, L, Pshenychnyi, S, Endres, M, Satchell, K.J.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2018-06-15 | | Release date: | 2018-06-27 | | Last modified: | 2023-06-14 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | A Structural Systems Biology Approach to High-Risk CG23 Klebsiella pneumoniae.
Microbiol Resour Announc, 12, 2023
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6DVV
 | | 2.25 Angstrom Resolution Crystal Structure of 6-phospho-alpha-glucosidase from Klebsiella pneumoniae in Complex with NAD and Mn2+. | | Descriptor: | 6-phospho-alpha-glucosidase, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Minasov, G, Shuvalova, L, Kiryukhina, O, Endres, M, Satchell, K.J.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2018-06-25 | | Release date: | 2018-07-18 | | Last modified: | 2023-06-14 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | A Structural Systems Biology Approach to High-Risk CG23 Klebsiella pneumoniae.
Microbiol Resour Announc, 12, 2023
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6DXN
 | | 1.95 Angstrom Resolution Crystal Structure of DsbA Disulfide Interchange Protein from Klebsiella pneumoniae. | | Descriptor: | TRIETHYLENE GLYCOL, Thiol:disulfide interchange protein | | Authors: | Minasov, G, Wawrzak, Z, Shuvalova, L, Kiryukhina, O, Endres, M, Satchell, K.J.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2018-06-29 | | Release date: | 2018-07-11 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | A Structural Systems Biology Approach to High-Risk CG23 Klebsiella pneumoniae.
Microbiol Resour Announc, 12, 2023
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4HSS
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4I4K
 | | Streptomyces globisporus C-1027 9-membered enediyne conserved protein SgcE6 | | Descriptor: | CITRIC ACID, GLYCEROL, PENTAETHYLENE GLYCOL, ... | | Authors: | Kim, Y, Bigelow, L, Clancy, S, Babnigg, J, 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: | 2012-11-27 | | Release date: | 2012-12-12 | | Last modified: | 2016-12-07 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Crystal structure of SgcJ, an NTF2-like superfamily protein involved in biosynthesis of the nine-membered enediyne antitumor antibiotic C-1027.
J Antibiot (Tokyo), 69, 2016
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4IAG
 | | Crystal structure of ZbmA, the zorbamycin binding protein from Streptomyces flavoviridis | | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, Zbm binding protein | | Authors: | Cuff, M.E, Bigelow, L, Bruno, C.J.P, Clancy, S, Babnigg, G, Bingman, C.A, Yennamalli, R, Lohman, J, 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: | 2012-12-06 | | Release date: | 2013-02-20 | | Last modified: | 2017-11-15 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal Structure of the Zorbamycin-Binding Protein ZbmA, the Primary Self-Resistance Element in Streptomyces flavoviridis ATCC21892.
Biochemistry, 54, 2015
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4HSQ
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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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7WTD
 | | Cryo-EM structure of human pyruvate carboxylase with acetyl-CoA in the intermediate state 1 | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, COENZYME A, Pyruvate carboxylase, ... | | Authors: | Chai, P, Lan, P, Wu, J, Lei, M. | | Deposit date: | 2022-02-04 | | Release date: | 2022-11-09 | | Last modified: | 2022-11-16 | | Method: | ELECTRON MICROSCOPY (3.9 Å) | | Cite: | Mechanistic insight into allosteric activation of human pyruvate carboxylase by acetyl-CoA.
Mol.Cell, 82, 2022
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7WTE
 | | Cryo-EM structure of human pyruvate carboxylase with acetyl-CoA in the intermediate state 2 | | Descriptor: | ACETYL COENZYME *A, ADENOSINE-5'-TRIPHOSPHATE, Pyruvate carboxylase, ... | | Authors: | Chai, P, Lan, P, Wu, J, Lei, M. | | Deposit date: | 2022-02-04 | | Release date: | 2022-11-09 | | Last modified: | 2022-11-16 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Mechanistic insight into allosteric activation of human pyruvate carboxylase by acetyl-CoA.
Mol.Cell, 82, 2022
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7WTA
 | | Cryo-EM structure of human pyruvate carboxylase in apo state | | Descriptor: | 5-(HEXAHYDRO-2-OXO-1H-THIENO[3,4-D]IMIDAZOL-6-YL)PENTANAL, Pyruvate carboxylase, mitochondrial | | Authors: | Chai, P, Lan, P, Wu, J, Lei, M. | | Deposit date: | 2022-02-04 | | Release date: | 2022-11-09 | | Last modified: | 2022-11-16 | | Method: | ELECTRON MICROSCOPY (3.9 Å) | | Cite: | Mechanistic insight into allosteric activation of human pyruvate carboxylase by acetyl-CoA.
Mol.Cell, 82, 2022
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7WTC
 | | Cryo-EM structure of human pyruvate carboxylase with acetyl-CoA in the ground state | | Descriptor: | 5-(HEXAHYDRO-2-OXO-1H-THIENO[3,4-D]IMIDAZOL-6-YL)PENTANAL, ACETYL COENZYME *A, Pyruvate carboxylase, ... | | Authors: | Chai, P, Lan, P, Wu, J, Lei, M. | | Deposit date: | 2022-02-04 | | Release date: | 2022-11-09 | | Last modified: | 2022-11-16 | | Method: | ELECTRON MICROSCOPY (4 Å) | | Cite: | Mechanistic insight into allosteric activation of human pyruvate carboxylase by acetyl-CoA.
Mol.Cell, 82, 2022
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7WTB
 | | Cryo-EM structure of human pyruvate carboxylase with acetyl-CoA | | Descriptor: | 5-(HEXAHYDRO-2-OXO-1H-THIENO[3,4-D]IMIDAZOL-6-YL)PENTANAL, ACETYL COENZYME *A, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | | Authors: | Chai, P, Lan, P, Wu, J, Lei, M. | | Deposit date: | 2022-02-04 | | Release date: | 2022-11-09 | | Last modified: | 2022-11-16 | | Method: | ELECTRON MICROSCOPY (3.7 Å) | | Cite: | Mechanistic insight into allosteric activation of human pyruvate carboxylase by acetyl-CoA.
Mol.Cell, 82, 2022
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3LC3
 | | Benzothiophene Inhibitors of Factor IXa | | Descriptor: | 1-[5-(3,4-dimethoxyphenyl)-1-benzothiophen-2-yl]methanediamine, CALCIUM ION, Coagulation factor IX | | Authors: | Wang, S, Beck, R. | | Deposit date: | 2010-01-09 | | Release date: | 2010-02-23 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Studies of Benzothiophene Template as Potent Factor IXa (FIXa) Inhibitors in Thrombosis.
J.Med.Chem., 53, 2010
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7FD4
 | | A complete three-dimensional structure of the Lon protease translocating a protein substrate (conformation 1) | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Alpha-S1-casein, Lon protease, ... | | Authors: | Li, S, Hsieh, K, Kuo, C, Lee, S, Pintilie, G, Zhang, K, Chang, C. | | Deposit date: | 2021-07-16 | | Release date: | 2021-11-03 | | Method: | ELECTRON MICROSCOPY (2.4 Å) | | Cite: | Complete three-dimensional structures of the Lon protease translocating a protein substrate.
Sci Adv, 7, 2021
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7FD5
 | | A complete three-dimensional structure of the Lon protease translocating a protein substrate (conformation 2) | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Alpha-S1-casein, Lon protease, ... | | Authors: | Li, S, Hsieh, K, Kuo, C, Lee, S, Pintilie, G, Zhang, K, Chang, C. | | Deposit date: | 2021-07-16 | | Release date: | 2021-11-03 | | Method: | ELECTRON MICROSCOPY (2.4 Å) | | Cite: | Complete three-dimensional structures of the Lon protease translocating a protein substrate.
Sci Adv, 7, 2021
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8SQX
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