7V1Q
| 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
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5ENM
| Compound 10 | Descriptor: | (2~{R},4~{S},6~{S})-4-[2,4-bis(fluoranyl)-5-pyrimidin-5-yl-phenyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1,3-thiazinan-2-amine, Beta-secretase 1, GLYCEROL, ... | Authors: | Lewis, H.A. | Deposit date: | 2015-11-09 | Release date: | 2016-10-05 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Targeting the BACE1 Active Site Flap Leads to a Potent Inhibitor That Elicits Robust Brain A beta Reduction in Rodents. Acs Med.Chem.Lett., 7, 2016
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5ENK
| Compound 18 | Descriptor: | (4~{S},6~{S})-4-[2,4-bis(fluoranyl)-5-pyrimidin-5-yl-phenyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methyl-5,6-dihydro-1,3-thiazin-2-amine, Beta-secretase 1, GLYCEROL, ... | Authors: | Lewis, H.A. | Deposit date: | 2015-11-09 | Release date: | 2016-07-06 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.11 Å) | Cite: | Targeting the BACE1 Active Site Flap Leads to a Potent Inhibitor That Elicits Robust Brain A beta Reduction in Rodents. Acs Med.Chem.Lett., 7, 2016
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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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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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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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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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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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2MLK
| 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
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4GE7
| Kynurenine Aminotransferase II Inhibitors | Descriptor: | (5-hydroxy-4-{[(1-hydroxy-2-oxo-6-phenoxy-1,2-dihydroquinolin-3-yl)amino]methyl}-6-methylpyridin-3-yl)methyl dihydrogen phosphate, Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial | Authors: | Pandit, J. | Deposit date: | 2012-08-01 | Release date: | 2012-11-07 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structure-Based Design of Irreversible Human KAT II Inhibitors: Discovery of New Potency-Enhancing Interactions. ACS Med Chem Lett, 4, 2013
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4GE4
| Kynurenine Aminotransferase II Inhibitors | Descriptor: | (5-hydroxy-4-{[(1-hydroxy-7-methoxy-2-oxo-1,2-dihydroquinolin-3-yl)amino]methyl}-6-methylpyridin-3-yl)methyl dihydrogen phosphate, Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial | Authors: | Pandit, J. | Deposit date: | 2012-08-01 | Release date: | 2012-11-07 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.41 Å) | Cite: | Structure-Based Design of Irreversible Human KAT II Inhibitors: Discovery of New Potency-Enhancing Interactions. ACS Med Chem Lett, 4, 2013
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4GDY
| Kynurenine Aminotransferase II inhibitors | Descriptor: | (5-hydroxy-6-methyl-4-{[(1-oxo-7-phenoxy-1,2-dihydro[1,2,4]triazolo[4,3-a]quinolin-4-yl)amino]methyl}pyridin-3-yl)methyl dihydrogen phosphate, Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial | Authors: | Pandit, J. | Deposit date: | 2012-08-01 | Release date: | 2012-08-29 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.89 Å) | Cite: | Discovery of Hydroxamate Bioisosteres as KATII Inhibitors with Improved Oral Bioavailability and Pharmacokinetics MEDCHEMCOMM, 2012
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4GE9
| Kynurenine Aminotransferase II Inhibitors | Descriptor: | (4-{[(6-benzyl-1-hydroxy-7-methoxy-2-oxo-1,2-dihydroquinolin-3-yl)amino]methyl}-5-hydroxy-6-methylpyridin-3-yl)methyl dihydrogen phosphate, Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial | Authors: | Pandit, J. | Deposit date: | 2012-08-01 | Release date: | 2012-11-07 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.43 Å) | Cite: | Structure-Based Design of Irreversible Human KAT II Inhibitors: Discovery of New Potency-Enhancing Interactions. ACS Med Chem Lett, 4, 2013
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4I5C
| The Jak1 kinase domain in complex with inhibitor | Descriptor: | 1,2-ETHANEDIOL, 3-oxo-3-[(3R)-3-(pyrrolo[2,3-b][1,2,3]triazolo[4,5-d]pyridin-1(6H)-yl)piperidin-1-yl]propanenitrile, Tyrosine-protein kinase JAK1 | Authors: | Fong, R, Lupardus, P.J. | Deposit date: | 2012-11-28 | Release date: | 2013-05-22 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Novel triazolo-pyrrolopyridines as inhibitors of Janus kinase 1. Bioorg.Med.Chem.Lett., 23, 2013
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4I1D
| The crystal structure of an ABC transporter substrate-binding protein from Bradyrhizobium japonicum USDA 110 | Descriptor: | ABC transporter substrate-binding protein, ACETATE ION, D-MALATE, ... | Authors: | Fan, Y, Tan, K, Mack, J, Zerbs, S, Collart, F, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2012-11-20 | Release date: | 2012-12-05 | Last modified: | 2013-09-25 | Method: | X-RAY DIFFRACTION (2.201 Å) | Cite: | Structural and functional characterization of solute binding proteins for aromatic compounds derived from lignin: p-Coumaric acid and related aromatic acids. Proteins, 81, 2013
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5BPY
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5BQ0
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6NAU
| 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
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6NBG
| 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
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6NDI
| 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
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6NZ4
| 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
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6OMR
| 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
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1FK2
| STRUCTURAL BASIS OF NON-SPECIFIC LIPID BINDING IN MAIZE LIPID-TRANSFER PROTEIN COMPLEXES WITH MYRISTIC ACID REVEALED BY HIGH-RESOLUTION X-RAY CRYSTALLOGRAPHY | Descriptor: | FORMIC ACID, MYRISTIC ACID, NONSPECIFIC LIPID-TRANSFER PROTEIN | Authors: | Han, G.W, Lee, J.Y, Song, H.K, Shin, D.H, Suh, S.W. | Deposit date: | 2000-08-09 | Release date: | 2001-06-06 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural basis of non-specific lipid binding in maize lipid-transfer protein complexes revealed by high-resolution X-ray crystallography. J.Mol.Biol., 308, 2001
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1FK7
| STRUCTURAL BASIS OF NON-SPECIFIC LIPID BINDING IN MAIZE LIPID-TRANSFER PROTEIN COMPLEXES WITH RICINOLEIC ACID REVEALED BY HIGH-RESOLUTION X-RAY CRYSTALLOGRAPHY | Descriptor: | FORMIC ACID, NON-SPECIFIC LIPID TRANSFER PROTEIN, RICINOLEIC ACID | Authors: | Han, G.W, Lee, J.Y, Song, H.K, Shin, D.H, Suh, S.W. | Deposit date: | 2000-08-09 | Release date: | 2001-06-06 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural basis of non-specific lipid binding in maize lipid-transfer protein complexes revealed by high-resolution X-ray crystallography. J.Mol.Biol., 308, 2001
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1FK3
| STRUCTURAL BASIS OF NON-SPECIFIC LIPID BINDING IN MAIZE LIPID-TRANSFER PROTEIN COMPLEXES WITH PALMITOLEIC ACID REVEALED BY HIGH-RESOLUTION X-RAY CRYSTALLOGRAPHY | Descriptor: | FORMIC ACID, NONSPECIFIC LIPID-TRANSFER PROTEIN, PALMITOLEIC ACID | Authors: | Han, G.W, Lee, J.Y, Song, H.K, Shin, D.H, Suh, S.W. | Deposit date: | 2000-08-09 | Release date: | 2001-06-06 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural basis of non-specific lipid binding in maize lipid-transfer protein complexes revealed by high-resolution X-ray crystallography. J.Mol.Biol., 308, 2001
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