6A3L
 
 | | Crystal structure of cytochrome c' from Shewanella violacea DSS12 | | Descriptor: | Cytochrome c, HEME C | | Authors: | Suka, A, Oki, H, Kato, Y, Kawahara, K, Ohkubo, T, Maruno, T, Kobayashi, Y, Fujii, S, Wakai, S, Sambongi, Y. | | Deposit date: | 2018-06-15 | | Release date: | 2019-06-12 | | Last modified: | 2019-10-02 | | Method: | X-RAY DIFFRACTION (2.14 Å) | | Cite: | Stability of cytochromes c' from psychrophilic and piezophilic Shewanella species: implications for complex multiple adaptation to low temperature and high hydrostatic pressure.
Extremophiles, 23, 2019
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2AMG
 | | STRUCTURE OF HYDROLASE (GLYCOSIDASE) | | Descriptor: | 1,4-ALPHA-D-GLUCAN MALTOTETRAHYDROLASE, CALCIUM ION | | Authors: | Morishita, Y, Hasegawa, K, Matsuura, Y, Kubota, M, Sakai, S, Katsube, Y. | | Deposit date: | 1996-12-23 | | Release date: | 1997-04-01 | | Last modified: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structure of a maltotetraose-forming exo-amylase from Pseudomonas stutzeri.
J.Mol.Biol., 267, 1997
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7YV1
 | | Human K-Ras G12D (GDP-bound) in complex with cyclic peptide inhibitor LUNA18 and KA30L Fab | | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, Isoform 2B of GTPase KRas, KA30L Fab H-chain, ... | | Authors: | Irie, M, Fukami, T.A, Matsuo, A, Saka, K, Nishimura, M, Saito, H, Torizawa, T, Tanada, M, Ohta, A. | | Deposit date: | 2022-08-18 | | Release date: | 2023-07-26 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.454 Å) | | Cite: | Validation of a New Methodology to Create Oral Drugs beyond the Rule of 5 for Intracellular Tough Targets.
J.Am.Chem.Soc., 145, 2023
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7YUZ
 | | Human K-Ras G12D (GDP-bound) in complex with cyclic peptide inhibitor AP8784 | | Descriptor: | AP8784, GUANOSINE-5'-DIPHOSPHATE, IODIDE ION, ... | | Authors: | Irie, M, Fukami, T.A, Tanada, M, Ohta, A, Torizawa, T. | | Deposit date: | 2022-08-18 | | Release date: | 2023-07-26 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.878 Å) | | Cite: | Validation of a New Methodology to Create Oral Drugs beyond the Rule of 5 for Intracellular Tough Targets.
J.Am.Chem.Soc., 145, 2023
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4UVE
 | | Discovery of pyrimidine isoxazoles InhA in complex with compound 9 | | Descriptor: | 2-(4,6-DIMETHYLPYRIMIDIN-2-YL)SULFANYLETHANOL, ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADH], MAGNESIUM ION, ... | | Authors: | Read, J.A, Gingell, H, Madhavapeddi, P, Ghorpade, S, Cowan, S. | | Deposit date: | 2014-08-05 | | Release date: | 2015-09-30 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | Hitting the Target in More Than One Way: Novel, Direct Inhibitors of Mycobacterium Tuberculosis Enoyl Acp Reductase
To be Published
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4UVG
 | | Discovery of pyrimidine isoxazoles InhA in complex with compound 15 | | Descriptor: | 5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]isoxazole-3-carboxamide, ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADH], MAGNESIUM ION, ... | | Authors: | Read, J.A, Gingell, H, Madhavapeddi, P, Ghorpade, S, Cowan, S. | | Deposit date: | 2014-08-05 | | Release date: | 2015-09-30 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.92 Å) | | Cite: | Hitting the Target in More Than One Way: Novel, Direct Inhibitors of Mycobacterium Tuberculosis Enoyl Acp Reductase
To be Published
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4UVI
 | | Discovery of pyrimidine isoxazoles InhA in complex with compound 23 | | Descriptor: | 5-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-N-[(2-methylpyridin-4-yl)methyl]-1,2-oxazole-3-carboxamide, ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE | | Authors: | Read, J.A, Gingell, H, Madhavapeddi, P, Ghorpade, S, Cowan, S. | | Deposit date: | 2014-08-05 | | Release date: | 2015-09-30 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.73 Å) | | Cite: | Hitting the Target in More Than One Way: Novel, Direct Inhibitors of Mycobacterium Tuberculosis Enoyl Acp Reductase
To be Published
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4UVD
 | | Discovery of pyrimidine isoxazoles InhA in complex with compound 6 | | Descriptor: | 2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]-N-[(2Z)-5-[3-(trifluoromethyl)benzyl]-1,3-thiazol-2(3H)-ylidene]acetamide, ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADH], MAGNESIUM ION, ... | | Authors: | Read, J.A, Gingell, H, Madhavapeddi, P, Ghorpade, S, Cowan, S. | | Deposit date: | 2014-08-05 | | Release date: | 2015-09-30 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.82 Å) | | Cite: | Hitting the Target in More Than One Way: Novel, Direct Inhibitors of Mycobacterium Tuberculosis Enoyl Acp Reductase
To be Published
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4UVH
 | | Discovery of pyrimidine isoxazoles InhA in complex with compound 10 | | Descriptor: | ACETATE ION, ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADH], N-(1,3-BENZOTHIAZOL-2-YL)ACETAMIDE, ... | | Authors: | Read, J.A, Gingell, H, Madhavapeddi, P, Ghorpade, S, Cowan, S. | | Deposit date: | 2014-08-05 | | Release date: | 2015-09-30 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | Hitting the Target in More Than One Way: Novel, Direct Inhibitors of Mycobacterium Tuberculosis Enoyl Acp Reductase
To be Published
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4MOT
 | | Structure of Streptococcus pneumonia pare in complex with AZ13072886 | | Descriptor: | 1-[4-(3-methylbutyl)-5-oxo-6-(pyridin-3-yl)-4,5-dihydro[1,3]thiazolo[5,4-b]pyridin-2-yl]-3-prop-2-en-1-ylurea, Topoisomerase IV subunit B | | Authors: | Ogg, D, Boriack-Sjodin, P.A. | | Deposit date: | 2013-09-12 | | Release date: | 2013-11-20 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Thiazolopyridone ureas as DNA gyrase B inhibitors: Optimization of antitubercular activity and efficacy.
Bioorg.Med.Chem.Lett., 24, 2014
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1GCY
 | | HIGH RESOLUTION CRYSTAL STRUCTURE OF MALTOTETRAOSE-FORMING EXO-AMYLASE | | Descriptor: | CALCIUM ION, GLUCAN 1,4-ALPHA-MALTOTETRAHYDROLASE | | Authors: | Mezaki, Y, Katsuya, Y, Kubota, M, Matsuura, Y. | | Deposit date: | 2000-08-14 | | Release date: | 2000-08-30 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Crystallization and structural analysis of intact maltotetraose-forming exo-amylase from Pseudomonas stutzeri.
Biosci.Biotechnol.Biochem., 65, 2001
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8I34
 | | The crystal structure of EPD-BCP1 from a marine sponge | | Descriptor: | (2~{Z},4~{E},6~{E},8~{E},10~{E},12~{E},14~{E},16~{E})-4,8,13,17-tetramethyl-3-oxidanyl-19-[(4~{R})-2,6,6-trimethyl-4-oxidanyl-cyclohexen-1-yl]-1-[(1~{R},4~{S})-1,2,2-trimethyl-4-oxidanyl-cyclopentyl]nonadeca-2,4,6,8,10,12,14,16-octaen-18-yn-1-one, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ASTAXANTHIN, ... | | Authors: | Shomura, Y, Kawasaki, S. | | Deposit date: | 2023-01-16 | | Release date: | 2023-08-16 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.44 Å) | | Cite: | An ependymin-related blue carotenoprotein decorates marine blue sponge.
J.Biol.Chem., 299, 2023
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8HW1
 | | Far-red light-harvesting complex of Antarctic alga Prasiola crispa | | Descriptor: | (1S)-4-[(1E,3Z,5E,7E,9E,11E,13E,15E,17E)-3-(hydroxymethyl)-7,12,16-trimethyl-18-[(1R,4S)-2,6,6-trimethyl-4-oxidanyl-cyclohex-2-en-1-yl]octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-3,5,5-trimethyl-cyclohex-3-en-1-ol, (3S,5R,6S,3'S,5'R,6'S)-5,6,5',6'-DIEPOXY-5,6,5',6'- TETRAHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, CHLOROPHYLL A, ... | | Authors: | Kosugi, M, Kawasaki, M, Shibata, Y, Moriya, T, Adachi, N, Senda, T. | | Deposit date: | 2022-12-28 | | Release date: | 2023-01-18 | | Last modified: | 2024-07-03 | | Method: | ELECTRON MICROSCOPY (3.13 Å) | | Cite: | Uphill energy transfer mechanism for photosynthesis in an Antarctic alga.
Nat Commun, 14, 2023
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6KG2
 | | Human MTHFD2 in complex with Compound 18 | | Descriptor: | Bifunctional methylenetetrahydrofolate dehydrogenase/cyclohydrolase, mitochondrial, N-[2-chloranyl-4-[[7-methyl-8-(4-methylpiperazin-1-yl)-5-oxidanylidene-2,4-dihydro-1H-chromeno[3,4-c]pyridin-3-yl]carbonyl]phenyl]methanesulfonamide, ... | | Authors: | Suzuki, M, Matsui, Y, Ota, M, Kawai, J. | | Deposit date: | 2019-07-10 | | Release date: | 2019-11-13 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Discovery of a Potent, Selective, and Orally Available MTHFD2 Inhibitor (DS18561882) with in Vivo Antitumor Activity.
J.Med.Chem., 62, 2019
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6JIB
 | | Human MTHFD2 in complex with DS44960156 | | Descriptor: | 4-(5-oxo-1,5-dihydro-2H-[1]benzopyrano[3,4-c]pyridine-3(4H)-carbonyl)benzoic acid, Bifunctional methylenetetrahydrofolate dehydrogenase/cyclohydrolase, mitochondrial, ... | | Authors: | Suzuki, M, Matsui, Y, Kawai, J. | | Deposit date: | 2019-02-20 | | Release date: | 2019-06-05 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Structure-Based Design and Synthesis of an Isozyme-Selective MTHFD2 Inhibitor with a Tricyclic Coumarin Scaffold.
Acs Med.Chem.Lett., 10, 2019
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6JID
 | | Human MTHFD2 in complex with Compound 1 | | Descriptor: | 5-(4-oxo-2-phenyl-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-6(4H)-carbonyl)-1,3-dihydro-2H-2lambda~6~,1-benzothiazole-2,2-dione, Bifunctional methylenetetrahydrofolate dehydrogenase/cyclohydrolase, mitochondrial, ... | | Authors: | Suzuki, M, Matsui, Y, Matsuhashi, N, Kawai, J. | | Deposit date: | 2019-02-20 | | Release date: | 2019-06-05 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structure-Based Design and Synthesis of an Isozyme-Selective MTHFD2 Inhibitor with a Tricyclic Coumarin Scaffold.
Acs Med.Chem.Lett., 10, 2019
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5X1V
 | | PKM2 in complex with compound 2 | | Descriptor: | 1,6-di-O-phosphono-beta-D-fructofuranose, 4-[2,3-bis(chloranyl)phenyl]carbonyl-1-methyl-pyrrole-2-carboxamide, Pyruvate kinase PKM | | Authors: | Matsui, Y, Hanzawa, H. | | Deposit date: | 2017-01-27 | | Release date: | 2017-05-31 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Discovery and structure-guided fragment-linking of 4-(2,3-dichlorobenzoyl)-1-methyl-pyrrole-2-carboxamide as a pyruvate kinase M2 activator
Bioorg. Med. Chem., 25, 2017
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5X1W
 | | PKM2 in complex with compound 5 | | Descriptor: | 1,6-di-O-phosphono-beta-D-fructofuranose, 4-[2,3-bis(chloranyl)phenyl]carbonyl-N-[2-[[4-[2,3-bis(chloranyl)phenyl]carbonyl-1-methyl-pyrrol-2-yl]carbonylamino]ethyl]-1-methyl-pyrrole-2-carboxamide, Pyruvate kinase PKM | | Authors: | Matsui, Y, Hanzawa, H. | | Deposit date: | 2017-01-27 | | Release date: | 2017-05-31 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Discovery and structure-guided fragment-linking of 4-(2,3-dichlorobenzoyl)-1-methyl-pyrrole-2-carboxamide as a pyruvate kinase M2 activator
Bioorg. Med. Chem., 25, 2017
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6CCW
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7V62
 | | Crystal structure of human OSBP ORD in complex with cholesterol | | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, CHOLESTEROL, CITRIC ACID, ... | | Authors: | Kobayashi, J, Kato, R. | | Deposit date: | 2021-08-19 | | Release date: | 2022-06-08 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (3.25 Å) | | Cite: | Ligand Recognition by the Lipid Transfer Domain of Human OSBP Is Important for Enterovirus Replication.
Acs Infect Dis., 8, 2022
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1QI4
 | | MUTANT (E219G) MALTOTETRAOSE-FORMING EXO-AMYLASE IN COMPLEX WITH MALTOTETRAOSE | | Descriptor: | CALCIUM ION, PROTEIN (EXO-MALTOTETRAOHYDROLASE), alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose | | Authors: | Hasegawa, K, Kubota, M, Matsuura, Y. | | Deposit date: | 1999-06-01 | | Release date: | 1999-11-24 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Roles of catalytic residues in alpha-amylases as evidenced by the structures of the product-complexed mutants of a maltotetraose-forming amylase.
Protein Eng., 12, 1999
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1QI5
 | | MUTANT (D294N) MALTOTETRAOSE-FORMING EXO-AMYLASE IN COMPLEX WITH MALTOTETRAOSE | | Descriptor: | CALCIUM ION, PROTEIN (EXO-MALTOTETRAOHYDROLASE), alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose | | Authors: | Hasegawa, K, Kubota, M, Matsuura, Y. | | Deposit date: | 1999-06-03 | | Release date: | 1999-11-24 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Roles of catalytic residues in alpha-amylases as evidenced by the structures of the product-complexed mutants of a maltotetraose-forming amylase.
Protein Eng., 12, 1999
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1QI3
 | | MUTANT (D193N) MALTOTETRAOSE-FORMING EXO-AMYLASE IN COMPLEX WITH MALTOTETRAOSE | | Descriptor: | CALCIUM ION, PROTEIN (EXO-MALTOTETRAOHYDROLASE), alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose | | Authors: | Hasegawa, K, Kubota, M, Matsuura, Y. | | Deposit date: | 1999-06-01 | | Release date: | 1999-11-24 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Roles of catalytic residues in alpha-amylases as evidenced by the structures of the product-complexed mutants of a maltotetraose-forming amylase.
Protein Eng., 12, 1999
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1JDC
 | | MUTANT (E219Q) MALTOTETRAOSE-FORMING EXO-AMYLASE COCRYSTALLIZED WITH MALTOTETRAOSE (CRYSTAL TYPE 1) | | Descriptor: | 1,4-ALPHA MALTOTETRAHYDROLASE, CALCIUM ION, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose | | Authors: | Yoshioka, Y, Hasegawa, K, Matsuura, Y, Katsube, Y, Kubota, M. | | Deposit date: | 1997-06-16 | | Release date: | 1997-10-15 | | Last modified: | 2021-11-03 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal structures of a mutant maltotetraose-forming exo-amylase cocrystallized with maltopentaose.
J.Mol.Biol., 271, 1997
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1CYG
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