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8E18
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BU of 8e18 by Molmil
Crystal structure of apo TnmK1
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Secreted hydrolase
Authors:Liu, Y.-C, Gui, C, Shen, B.
Deposit date:2022-08-10
Release date:2022-11-09
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.14 Å)
Cite:Intramolecular C-C Bond Formation Links Anthraquinone and Enediyne Scaffolds in Tiancimycin Biosynthesis.
J.Am.Chem.Soc., 144, 2022
8E19
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BU of 8e19 by Molmil
Crystal structure of TnmK1 complexed with TNM H
Descriptor: (1R,8S,13S)-8-[(4-hydroxy-9,10-dioxo-9,10-dihydroanthracen-1-yl)amino]-12-methoxy-10-methylbicyclo[7.3.1]trideca-9,11-diene-2,6-diyne-13-carbaldehyde, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, SUCCINIC ACID, ...
Authors:Liu, Y.-C, Gui, C, Shen, B.
Deposit date:2022-08-10
Release date:2022-11-09
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Intramolecular C-C Bond Formation Links Anthraquinone and Enediyne Scaffolds in Tiancimycin Biosynthesis.
J.Am.Chem.Soc., 144, 2022
7RJJ
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BU of 7rjj by Molmil
Crystal Structure of the Peptidoglycan Binding Domain of the Outer Membrane Protein (OmpA) from Klebsiella pneumoniae with bound D-alanine
Descriptor: CHLORIDE ION, D-ALANINE, OmpA family protein
Authors:Minasov, G, Shuvalova, L, Kiryukhina, O, Dubrovska, I, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2021-07-21
Release date:2021-07-28
Last modified:2023-06-14
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:A Structural Systems Biology Approach to High-Risk CG23 Klebsiella pneumoniae.
Microbiol Resour Announc, 12, 2023
5TKD
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BU of 5tkd by Molmil
CRYSTAL STRUCTURE OF TYROSINE KINASE 2 JH2 (PSEUDO KINASE DOMAIN) COMPLEXED WITH 6-[(3,5-DIMETHYLPHE NYL)AMINO]-8- (METHYLAMINO)IMIDAZO[1,2-B]PYRIDAZINE-3-CARBO XAMIDE
Descriptor: 6-[(3,5-dimethylphenyl)amino]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide, Non-receptor tyrosine-protein kinase TYK2, SULFATE ION
Authors:Muckelbauer, J.K.
Deposit date:2016-10-06
Release date:2016-12-28
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Identification of imidazo[1,2-b]pyridazine TYK2 pseudokinase ligands as potent and selective allosteric inhibitors of TYK2 signalling.
Medchemcomm, 8, 2017
5TKB
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BU of 5tkb by Molmil
CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 4D IN COMPLEX WITH A TETRAFLUORANLINE COMPOUND
Descriptor: ETHANOL, MAGNESIUM ION, N-[(2R)-2,3-dihydroxy-2-methylpropyl]-8-(methylamino)-6-[(2,3,5,6-tetrafluorophenyl)amino]imidazo[1,2-b]pyridazine-3-carboxamide, ...
Authors:Sack, J.S.
Deposit date:2016-10-06
Release date:2016-12-28
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.16 Å)
Cite:Identification of imidazo[1,2-b]pyridazine TYK2 pseudokinase ligands as potent and selective allosteric inhibitors of TYK2 signalling.
Medchemcomm, 8, 2017
6X1L
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BU of 6x1l by Molmil
The crystal structure of a functional uncharacterized protein KP1_0663 from Klebsiella pneumoniae subsp. pneumoniae NTUH-K2044
Descriptor: WbbZ protein
Authors:Tan, K, Wu, R, Endres, M, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2020-05-19
Release date:2020-06-03
Last modified:2023-06-14
Method:X-RAY DIFFRACTION (2 Å)
Cite:A Structural Systems Biology Approach to High-Risk CG23 Klebsiella pneumoniae.
Microbiol Resour Announc, 12, 2023
6WN5
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BU of 6wn5 by Molmil
1.52 Angstrom Resolution Crystal Structure of Transcriptional Regulator HdfR from Klebsiella pneumoniae
Descriptor: CHLORIDE ION, Transcriptional regulator HdfR
Authors:Minasov, G, Shuvalova, L, Kiryukhina, O, Dubrovska, I, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2020-04-22
Release date:2020-05-06
Last modified:2023-06-14
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:A Structural Systems Biology Approach to High-Risk CG23 Klebsiella pneumoniae.
Microbiol Resour Announc, 12, 2023
6WN8
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BU of 6wn8 by Molmil
2.70 Angstrom Resolution Crystal Structure of Uracil Phosphoribosyl Transferase from Klebsiella pneumoniae
Descriptor: CHLORIDE ION, SULFATE ION, Uracil phosphoribosyltransferase, ...
Authors:Minasov, G, Shuvalova, L, Kiryukhina, O, Dubrovska, I, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2020-04-22
Release date:2020-05-06
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:A Structural Systems Biology Approach to High-Risk CG23 Klebsiella pneumoniae.
Microbiol Resour Announc, 12, 2023
4X9S
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BU of 4x9s by Molmil
CRYSTAL STRUCTURE OF HISAP FROM STREPTOMYCES SP. MG1
Descriptor: Phosphoribosyl isomerase A, SULFATE ION
Authors:MICHALSKA, K, VERDUZCO-CASTRO, E.A, ENDRES, M, BARONA-GOMEZ, F, JOACHIMIAK, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2014-12-11
Release date:2014-12-24
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Co-occurrence of analogous enzymes determines evolution of a novel ( beta alpha )8-isomerase sub-family after non-conserved mutations in flexible loop.
Biochem. J., 473, 2016
5T18
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BU of 5t18 by Molmil
Crystal structure of Bruton agammabulinemia tyrosine kinase complexed with BMS-986142 aka (2s)-6-fluoro-5-[3-(8-fluoro-1-methyl-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)-2-methylphenyl]-2-(2-hydroxypropan-2-yl)-2,3,4,9-tetrahydro-1h-carbazole-8-carboxamide
Descriptor: 6-Fluoro-5-(R)-(3-(S)-(8-fluoro-1-methyl-2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)-2-methylphenyl)-2-(S)-(2-hydroxypropan-2-yl)-2,3,4,9-tetrahydro-1H-carbazole-8-carboxamide, Tyrosine-protein kinase BTK
Authors:Muckelbauer, J.K.
Deposit date:2016-08-18
Release date:2017-03-08
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Discovery of 6-Fluoro-5-(R)-(3-(S)-(8-fluoro-1-methyl-2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)-2-methylphenyl)-2-(S)-(2-hydroxypropan-2-yl)-2,3,4,9-tetrahydro-1H-carbazole-8-carboxamide (BMS-986142): A Reversible Inhibitor of Bruton's Tyrosine Kinase (BTK) Conformationally Constrained by Two Locked Atropisomers.
J. Med. Chem., 59, 2016
4WUI
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BU of 4wui by Molmil
Crystal structure of TrpF from Jonesia denitrificans
Descriptor: CITRIC ACID, N-(5'-phosphoribosyl)anthranilate isomerase
Authors:Michalska, K, Verduzco-Castro, E.A, Endres, M, Barona-Gomez, F, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2014-10-31
Release date:2014-11-26
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.09 Å)
Cite:Co-occurrence of analogous enzymes determines evolution of a novel ( beta alpha )8-isomerase sub-family after non-conserved mutations in flexible loop.
Biochem. J., 473, 2016
4WOV
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BU of 4wov by Molmil
CRYSTAL STRUCTURE OF TYROSINE KINASE 2 JH2 (PSEUDO KINASE DOMAIN) COMPLEXED WITH BMS-066 AKA 2-METHOXY-N-({6-[3-METHYL-7-(METHYLAMINO)-3,5,8,10-TETRAAZATRICYCLO[7.3.0.0, 6]DODECA-1(9),2(6),4,7,11-PENTAEN-11-YL]PYRIDIN-2-YL}METHY L)ACETAMIDE
Descriptor: 2-methoxy-N-({6-[1-methyl-4-(methylamino)-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridin-7-yl]pyridin-2-yl}methyl)acetamide, Non-receptor tyrosine-protein kinase TYK2, SULFATE ION
Authors:Muckelbauer, J.K.
Deposit date:2014-10-16
Release date:2015-03-18
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Tyrosine Kinase 2-mediated Signal Transduction in T Lymphocytes Is Blocked by Pharmacological Stabilization of Its Pseudokinase Domain.
J.Biol.Chem., 290, 2015
4WKY
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BU of 4wky by Molmil
Streptomcyes albus JA3453 oxazolomycin ketosynthase domain OzmN KS2
Descriptor: 1,2-ETHANEDIOL, Beta-ketoacyl synthase, GLYCEROL, ...
Authors:Cuff, M.E, Mack, J.C, 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:2014-10-03
Release date:2014-10-29
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural and evolutionary relationships of "AT-less" type I polyketide synthase ketosynthases.
Proc.Natl.Acad.Sci.USA, 112, 2015
4X48
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BU of 4x48 by Molmil
Crystal structure of GluR2 ligand-binding core
Descriptor: GLUTAMIC ACID, Glutamate receptor 2, N-{(3S,4S)-4-[4-(5-cyanothiophen-2-yl)phenoxy]tetrahydrofuran-3-yl}propane-2-sulfonamide, ...
Authors:Pandit, J.
Deposit date:2014-12-02
Release date:2015-05-06
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:The Discovery and Characterization of the alpha-Amino-3-hydroxy-5-methyl-4-isoxazolepropionic Acid (AMPA) Receptor Potentiator N-{(3S,4S)-4-[4-(5-Cyano-2-thienyl)phenoxy]tetrahydrofuran-3-yl}propane-2-sulfonamide (PF-04958242).
J.Med.Chem., 58, 2015
6NAU
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BU of 6nau by Molmil
1.55 Angstrom Resolution Crystal Structure of 6-phosphogluconolactonase from Klebsiella pneumoniae
Descriptor: 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 6-phosphogluconolactonase, CHLORIDE ION
Authors:Minasov, G, Shuvalova, L, Pshenychnyi, S, Dubrovska, I, Anderson, W.F, Satchell, K.J.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2018-12-06
Release date:2018-12-19
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:A Structural Systems Biology Approach to High-Risk CG23 Klebsiella pneumoniae.
Microbiol Resour Announc, 12, 2023
6NDI
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BU of 6ndi by Molmil
Crystal Structure of the Sugar Binding Domain of LacI Family Protein from Klebsiella pneumoniae
Descriptor: Transcriptional regulator
Authors:Minasov, G, Shuvalova, L, Wawrzak, Z, Kiryukhina, O, Dubrovska, I, Anderson, W.F, Satchell, K.J.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2018-12-13
Release date:2018-12-26
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
6NZ4
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BU of 6nz4 by Molmil
YcjX-GDP (type I)
Descriptor: GUANOSINE-5'-DIPHOSPHATE, YcjX Stress Protein
Authors:Lee, S, Tsai, J, Tsai, F.T.
Deposit date:2019-02-12
Release date:2019-09-18
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Crystal Structure of the YcjX Stress Protein Reveals a Ras-Like GTP-Binding Protein.
J.Mol.Biol., 431, 2019
6OMR
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BU of 6omr by Molmil
Crystal structure of PtmU3 complexed with PTN substrate
Descriptor: ACETATE ION, MANGANESE (II) ION, PtmU3, ...
Authors:Liu, Y.C, Dong, L.B, Shen, B.
Deposit date:2019-04-19
Release date:2019-07-24
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Characterization and Crystal Structure of a Nonheme Diiron Monooxygenase Involved in Platensimycin and Platencin Biosynthesis.
J.Am.Chem.Soc., 141, 2019
6OMP
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BU of 6omp by Molmil
Crystal structure of apo PtmU3
Descriptor: ACETATE ION, MANGANESE (II) ION, PtmU3
Authors:Liu, Y.C, Dong, L.B, Shen, B.
Deposit date:2019-04-19
Release date:2019-07-24
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Characterization and Crystal Structure of a Nonheme Diiron Monooxygenase Involved in Platensimycin and Platencin Biosynthesis.
J.Am.Chem.Soc., 141, 2019
6OMQ
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BU of 6omq by Molmil
Crystal structure of PtmU3 complexed with PTM substrate
Descriptor: ACETATE ION, MANGANESE (II) ION, PtmU3, ...
Authors:Liu, Y.C, Dong, L.B, Shen, B.
Deposit date:2019-04-19
Release date:2019-07-24
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Characterization and Crystal Structure of a Nonheme Diiron Monooxygenase Involved in Platensimycin and Platencin Biosynthesis.
J.Am.Chem.Soc., 141, 2019
6NBG
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BU of 6nbg by Molmil
2.05 Angstrom Resolution Crystal Structure of Hypothetical Protein KP1_5497 from Klebsiella pneumoniae.
Descriptor: CHLORIDE ION, Glucosamine-6-phosphate deaminase, PHOSPHATE ION
Authors:Minasov, G, Shuvalova, L, Kiryukhina, O, Dubrovska, I, Satchell, K.J.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2018-12-07
Release date:2018-12-19
Last modified:2023-06-14
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:A Structural Systems Biology Approach to High-Risk CG23 Klebsiella pneumoniae.
Microbiol Resour Announc, 12, 2023
8SQX
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BU of 8sqx by Molmil
Solution structure of the basal pilin SpaB from Corynebacterium diphtheriae
Descriptor: Putative surface anchored protein
Authors:Sue, C.K, Mahoney, B.J, Cheung, N.A, Clubb, R.T.
Deposit date:2023-05-04
Release date:2023-06-07
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:The basal and major pilins in the Corynebacterium diphtheriae SpaA pilus adopt similar structures that competitively react with the pilin polymerase.
Biopolymers, 115, 2024
7FD4
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BU of 7fd4 by Molmil
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
7FD5
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BU of 7fd5 by Molmil
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
8DEH
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BU of 8deh by Molmil
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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