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5WEV
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BU of 5wev by Molmil
Identification of an imidazopyridine scaffold to generate potent and selective TYK2 inhibitors that demonstrate activity in an in vivo psoriasis model
Descriptor: N-[2-(2,6-dichlorophenyl)-1H-imidazo[4,5-c]pyridin-4-yl]cyclopropanecarboxamide, Tyrosine-protein kinase JAK2
Authors:Ultsch, M.H, Magnuson, S.
Deposit date:2017-07-10
Release date:2017-09-06
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.854 Å)
Cite:Identification of an imidazopyridine scaffold to generate potent and selective TYK2 inhibitors that demonstrate activity in an in vivo psoriasis model.
Bioorg. Med. Chem. Lett., 27, 2017
7TZP
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BU of 7tzp by Molmil
Crystal Structure of Putataive Short-Chain Dehydrogenase/Reductase (FabG) from Klebsiella pneumoniae subsp. pneumoniae NTUH-K2044 in Complex with NADH
Descriptor: 1,2-ETHANEDIOL, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 3-oxoacyl-ACP reductase, ...
Authors:Minasov, G, Shuvalova, L, Dubrovska, I, Kiryukhina, O, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2022-02-16
Release date:2022-03-02
Last modified:2023-06-14
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:A Structural Systems Biology Approach to High-Risk CG23 Klebsiella pneumoniae.
Microbiol Resour Announc, 12, 2023
7V1Q
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BU of 7v1q by Molmil
Leifsonia Alcohol Dehydrogenases LnADH
Descriptor: Alcohol Dehydrogenases, ISOPROPYL ALCOHOL, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
Authors:Song, Y, Qu, X.
Deposit date:2021-08-05
Release date:2021-12-29
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Engineering Leifsonia Alcohol Dehydrogenase for Thermostability and Catalytic Efficiency by Enhancing Subunit Interactions.
Chembiochem, 22, 2021
7V1R
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BU of 7v1r by Molmil
Leifsonia Alcohol Dehydrogenases LnADH
Descriptor: Alcohol Dehydrogenases, ISOPROPYL ALCOHOL, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
Authors:Song, Y, Qu, X.
Deposit date:2021-08-05
Release date:2021-12-29
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.81 Å)
Cite:Engineering Leifsonia Alcohol Dehydrogenase for Thermostability and Catalytic Efficiency by Enhancing Subunit Interactions.
Chembiochem, 22, 2021
5W4W
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BU of 5w4w by Molmil
Identification and Profiling of a Selective and Brain Penetrant Radioligand for In Vivo Target Occupancy Measurement of Casein Kinase 1 (CK1) Inhibitors
Descriptor: 4-[3-(4-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]-6-methyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-5-one, Casein kinase I isoform delta, SULFATE ION
Authors:Liu, S.
Deposit date:2017-06-13
Release date:2017-06-28
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Identification and Profiling of a Selective and Brain Penetrant Radioligand for in Vivo Target Occupancy Measurement of Casein Kinase 1 (CK1) Inhibitors.
ACS Chem Neurosci, 8, 2017
4Z7X
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BU of 4z7x by Molmil
MdbA protein, a thiol-disulfide oxidoreductase from Actinomyces oris.
Descriptor: (2S)-3-(cyclohexylamino)-2-hydroxypropane-1-sulfonic acid, MdbA
Authors:OSIPIUK, J, Reardon-Robinson, M.E, Ton-That, H, JOACHIMIAK, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2015-04-08
Release date:2015-04-22
Last modified:2019-12-11
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:A Disulfide Bond-forming Machine Is Linked to the Sortase-mediated Pilus Assembly Pathway in the Gram-positive Bacterium Actinomyces oris.
J.Biol.Chem., 290, 2015
6DUX
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BU of 6dux by Molmil
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
6DVV
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BU of 6dvv by Molmil
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
6DXN
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BU of 6dxn by Molmil
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
6E85
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BU of 6e85 by Molmil
1.25 Angstrom Resolution Crystal Structure of 4-hydroxythreonine-4-phosphate Dehydrogenase from Klebsiella pneumoniae.
Descriptor: CHLORIDE ION, D-threonate 4-phosphate dehydrogenase, FORMIC ACID, ...
Authors:Minasov, G, Shuvalova, L, Dubrovska, I, Kiryukhina, O, Endres, M, Satchell, K.J.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2018-07-27
Release date:2018-08-08
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:A Structural Systems Biology Approach to High-Risk CG23 Klebsiella pneumoniae.
Microbiol Resour Announc, 12, 2023
6DT3
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BU of 6dt3 by Molmil
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
7WTD
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BU of 7wtd by Molmil
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
7WTE
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BU of 7wte by Molmil
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
7WTA
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BU of 7wta by Molmil
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
7WTC
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BU of 7wtc by Molmil
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
7WTB
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BU of 7wtb by Molmil
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
4ASG
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BU of 4asg by Molmil
The structure of modified benzoquinone ansamycins bound to yeast N- terminal Hsp90
Descriptor: ATP-DEPENDENT MOLECULAR CHAPERONE HSP82, NICKEL (II) ION, [(3R,5S,6R,7R,11S,12Z,14E)-5,11,21-trimethoxy-3,7,9,15-tetramethyl-6-oxidanyl-16,20,22-tris(oxidanylidene)-19-phenyl-17-azabicyclo[16.3.1]docosa-1(21),8,12,14,18-pentaen-10-yl] carbamate
Authors:Roe, S.M, Prodromou, C.
Deposit date:2012-05-01
Release date:2013-04-03
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Synthesis of 19-Substituted Geldanamycins with Altered Conformations and Their Binding to Heat Shock Protein Hsp90.
Nat.Chem., 5, 2013
4ASA
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BU of 4asa by Molmil
The structure of modified benzoquinone ansamycins bound to yeast N- terminal Hsp90
Descriptor: ATP-DEPENDENT MOLECULAR CHAPERONE HSP82, CHLORIDE ION, [(3R,5S,6R,7R,12E)-5,11-dimethoxy-3,7,9,15,19-pentamethyl-6-oxidanyl-16,20,22-tris(oxidanylidene)-21-(prop-2-enylamino)-17-azabicyclo[16.3.1]docosa-1(21),8,12,14,18-pentaen-10-yl] carbamate
Authors:Roe, S.M, Prodromou, C.
Deposit date:2012-04-30
Release date:2013-04-03
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Synthesis of 19-Substituted Geldanamycins with Altered Conformations and Their Binding to Heat Shock Protein Hsp90.
Nat.Chem., 5, 2013
2MLK
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BU of 2mlk by Molmil
Three-dimensional structure of the C-terminal DNA-binding domain of RstA protein from Klebsiella pneumoniae
Descriptor: RstA
Authors:Fang, P, Chen, S, Cheng, Y, Chang, C, Yu, T, Huang, T.
Deposit date:2014-03-02
Release date:2014-07-16
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structural dynamics of the two-component response regulator RstA in recognition of promoter DNA element.
Nucleic Acids Res., 42, 2014
2JW8
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BU of 2jw8 by Molmil
Solution structure of stereo-array isotope labelled (SAIL) C-terminal dimerization domain of SARS coronavirus nucleocapsid protein
Descriptor: Nucleocapsid protein
Authors:Takeda, M, Chang, C, Ikeya, T, Guntert, P, Chang, Y, Hsu, Y, Huang, T, Kainosho, M.
Deposit date:2007-10-06
Release date:2008-08-26
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Solution structure of the c-terminal dimerization domain of SARS coronavirus nucleocapsid protein solved by the SAIL-NMR method
J.Mol.Biol., 380, 2008
3V3E
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BU of 3v3e by Molmil
Crystal Structure of the Human Nur77 Ligand-binding Domain
Descriptor: GLYCEROL, Nuclear receptor subfamily 4 group A member 1
Authors:Zhang, Q, Shi, C, Yang, K, Chen, Y, Zhan, Y, Wu, Q, Lin, T.
Deposit date:2011-12-13
Release date:2012-09-26
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:The orphan nuclear receptor Nur77 regulates LKB1 localization and activates AMPK
Nat.Chem.Biol., 8, 2012
5C00
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BU of 5c00 by Molmil
MdbA protein, a thiol-disulfide oxidoreductase from Corynebacterium diphtheriae
Descriptor: MdbA protein
Authors:OSIPIUK, J, REARDON-ROBINSON, M.E, TON-THAT, H, JOACHIMIAK, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2015-06-11
Release date:2015-07-15
Last modified:2019-12-11
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:A thiol-disulfide oxidoreductase of the Gram-positive pathogen Corynebacterium diphtheriae is essential for viability, pilus assembly, toxin production and virulence.
Mol.Microbiol., 98, 2015
4I4K
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BU of 4i4k by Molmil
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
3V3Q
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BU of 3v3q by Molmil
Crystal Structure of Human Nur77 Ligand-binding Domain in Complex with Ethyl 2-[2,3,4 trimethoxy-6(1-octanoyl)phenyl]acetate
Descriptor: GLYCEROL, Nuclear receptor subfamily 4 group A member 1, SODIUM ION, ...
Authors:Zhang, Q, Shi, C, Yang, K, Chen, Y, Zhan, Y, Wu, Q, Lin, T.
Deposit date:2011-12-14
Release date:2012-09-26
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.22 Å)
Cite:The orphan nuclear receptor Nur77 regulates LKB1 localization and activates AMPK
Nat.Chem.Biol., 8, 2012
4IAG
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BU of 4iag by Molmil
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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