3KTR
 
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3KYR
 | | Bace-1 in complex with a norstatine type inhibitor | | 分子名称: | 3-[[(2S)-2-[[[(2S)-2-[[(2S)-2-[[(2S)-2-azanyl-3-(1H-1,2,3,4-tetrazol-5-ylcarbonylamino)propanoyl]amino]-3-methyl-butanoyl]amino]-4-methyl-pentanoyl]amino]methyl]-2-hydroxy-4-phenyl-butanoyl]amino]benzoic acid, Beta-secretase 1 | | 著者 | Lindberg, J.D, Borkakoti, N, Derbyshire, D, Nystrom, S. | | 登録日 | 2009-12-07 | | 公開日 | 2010-12-29 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Investigation of a-phenylnorstatine and a-benzylnorstatine as transition state isostere motifs in the search for new BACE-1 inhibiotrs
To be Published
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1CDK
 | | CAMP-DEPENDENT PROTEIN KINASE CATALYTIC SUBUNIT (E.C.2.7.1.37) (PROTEIN KINASE A) COMPLEXED WITH PROTEIN KINASE INHIBITOR PEPTIDE FRAGMENT 5-24 (PKI(5-24) ISOELECTRIC VARIANT CA) AND MN2+ ADENYLYL IMIDODIPHOSPHATE (MNAMP-PNP) AT PH 5.6 AND 7C AND 4C | | 分子名称: | CAMP-DEPENDENT PROTEIN KINASE, MANGANESE (II) ION, MYRISTIC ACID, ... | | 著者 | Bossemeyer, D, Engh, R.A, Kinzel, V, Ponstingl, H, Huber, R. | | 登録日 | 1994-07-04 | | 公開日 | 1995-10-15 | | 最終更新日 | 2024-06-05 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Phosphotransferase and substrate binding mechanism of the cAMP-dependent protein kinase catalytic subunit from porcine heart as deduced from the 2.0 A structure of the complex with Mn2+ adenylyl imidodiphosphate and inhibitor peptide PKI(5-24).
EMBO J., 12, 1993
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3KTP
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6G0K
 | | Crystal structure of Enterococcus faecium D63r Penicillin-Binding protein 5 (PBP5fm) | | 分子名称: | Low affinity penicillin-binding protein 5 (PBP5), SULFATE ION | | 著者 | Sauvage, E, El Gachi, M, Herman, R, Kerff, F, Charlier, P. | | 登録日 | 2018-03-19 | | 公開日 | 2019-04-10 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | | 主引用文献 | Structural basis of inactivation of Enterococcus faecium penicillin binding protein 5 by ceftobiprole.
To Be Published
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3KEE
 | | HCV NS3/NS4A complexed with Non-covalent macrocyclic compound TMC435 | | 分子名称: | (2R,3aR,10Z,11aS,12aR,14aR)-N-(cyclopropylsulfonyl)-2-({7-methoxy-8-methyl-2-[4-(1-methylethyl)-1,3-thiazol-2-yl]quinolin-4-yl}oxy)-5-methyl-4,14-dioxo-2,3,3a,4,5,6,7,8,9,11a,12,13,14,14a-tetradecahydrocyclopenta[c]cyclopropa[g][1,6]diazacyclotetradecine-12a(1H)-carboxamide, 19-mer peptide from Genome polyprotein, GLYCEROL, ... | | 著者 | Lindberg, J.D, Nystrom, S, Cummings, M.D. | | 登録日 | 2009-10-26 | | 公開日 | 2010-03-09 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Induced-Fit Binding of the Macrocyclic Noncovalent Inhibitor TMC435 to its HCV NS3/NS4A Protease Target
Angew.Chem.Int.Ed.Engl., 49, 2010
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3KUS
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3KUR
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6G88
 | | Crystal structure of Enterococcus Faecium D63r Penicillin-Binding protein 5 (PBP5fm) | | 分子名称: | (2R)-2-[(1R)-1-{[(2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(hydroxyimino)acetyl]amino}-2-oxoethyl]-5-({2-oxo-1-[(3R)-pyrrolidin-3-yl]-2,5-dihydro-1H-pyrrol-3-yl}methyl)-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid, Low affinity penicillin-binding protein 5 (PBP5), SULFATE ION | | 著者 | Sauvage, E, El Gachi, M, Herman, R, Kerff, F, Charlier, P. | | 登録日 | 2018-04-08 | | 公開日 | 2019-04-24 | | 実験手法 | X-RAY DIFFRACTION (3.3 Å) | | 主引用文献 | Structural basis of inactivation of Enterococcus faecium penicillin binding protein 5 by ceftobiprole.
To Be Published
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3KF2
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3IDV
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3KUT
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8BP0
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8BP1
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8EGQ
 | | Branched chain ketoacid dehydrogenase kinase complexes | | 分子名称: | (2S)-2-ethyl-4-{[(2'M)-2'-(1H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl}-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine, ADENOSINE-5'-DIPHOSPHATE, SULFATE ION, ... | | 著者 | Liu, S. | | 登録日 | 2022-09-13 | | 公開日 | 2023-03-08 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (1.955 Å) | | 主引用文献 | Structural studies identify angiotensin II receptor blocker-like compounds as branched-chain ketoacid dehydrogenase kinase inhibitors.
J.Biol.Chem., 299, 2023
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8EGD
 | | Branched chain ketoacid dehydrogenase kinase in complex with inhibitor | | 分子名称: | 5-(4-methoxyphenyl)-1H-tetrazole, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | | 著者 | Liu, S. | | 登録日 | 2022-09-12 | | 公開日 | 2023-03-08 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.047 Å) | | 主引用文献 | Structural studies identify angiotensin II receptor blocker-like compounds as branched-chain ketoacid dehydrogenase kinase inhibitors.
J.Biol.Chem., 299, 2023
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8EGF
 | | Branched chain ketoacid dehydrogenase kinase in complex with inhibitor | | 分子名称: | (5P)-5-(4'-methyl[1,1'-biphenyl]-2-yl)-1H-tetrazole, ADENOSINE-5'-DIPHOSPHATE, POTASSIUM ION, ... | | 著者 | Liu, S. | | 登録日 | 2022-09-12 | | 公開日 | 2023-03-08 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Structural studies identify angiotensin II receptor blocker-like compounds as branched-chain ketoacid dehydrogenase kinase inhibitors.
J.Biol.Chem., 299, 2023
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8EGU
 | | Branched chain ketoacid dehydrogenase kinase complexes | | 分子名称: | (2~{S})-3-methyl-2-[pentanoyl-[[4-[2-(2~{H}-1,2,3,4-tetrazol-5-yl)phenyl]phenyl]methyl]amino]butanoic acid, ADENOSINE-5'-DIPHOSPHATE, SULFATE ION, ... | | 著者 | Liu, S. | | 登録日 | 2022-09-13 | | 公開日 | 2023-03-08 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (1.923 Å) | | 主引用文献 | Structural studies identify angiotensin II receptor blocker-like compounds as branched-chain ketoacid dehydrogenase kinase inhibitors.
J.Biol.Chem., 299, 2023
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8F5F
 | | human branched chain ketoacid dehydrogenase kinase in complex with inhibitors | | 分子名称: | (2P)-2-[(4P)-4-{6-[(1-ethylcyclopropyl)methoxy]pyridin-3-yl}-1,3-thiazol-2-yl]benzoic acid, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | | 著者 | Liu, S, Roth Flach, R, Bollinger, E, Filipski, K. | | 登録日 | 2022-11-14 | | 公開日 | 2023-07-05 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (3.149 Å) | | 主引用文献 | Small molecule branched-chain ketoacid dehydrogenase kinase (BDK) inhibitors with opposing effects on BDK protein levels.
Nat Commun, 14, 2023
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8F5J
 | | human branched chain ketoacid dehydrogenase kinase in complex with inhibitors | | 分子名称: | 3-chloro-5-fluorothieno[3,2-b]thiophene-2-carboxylic acid, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | | 著者 | Liu, S, Roth Flach, R, Bollinger, E, Filipski, K. | | 登録日 | 2022-11-14 | | 公開日 | 2023-07-05 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.545 Å) | | 主引用文献 | Small molecule branched-chain ketoacid dehydrogenase kinase (BDK) inhibitors with opposing effects on BDK protein levels.
Nat Commun, 14, 2023
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8F5S
 | | human branched chain ketoacid dehydrogenase kinase in complex with inhibitors | | 分子名称: | (2M)-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]benzoic acid, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | | 著者 | Liu, S, Roth Flach, R, Bollinger, E, Filipski, K. | | 登録日 | 2022-11-15 | | 公開日 | 2023-07-05 | | 最終更新日 | 2023-08-23 | | 実験手法 | X-RAY DIFFRACTION (2.793 Å) | | 主引用文献 | Small molecule branched-chain ketoacid dehydrogenase kinase (BDK) inhibitors with opposing effects on BDK protein levels.
Nat Commun, 14, 2023
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6VH6
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3UVT
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1OHJ
 | | HUMAN DIHYDROFOLATE REDUCTASE, MONOCLINIC (P21) CRYSTAL FORM | | 分子名称: | DIHYDROFOLATE REDUCTASE, N-(4-CARBOXY-4-{4-[(2,4-DIAMINO-PTERIDIN-6-YLMETHYL)-AMINO]-BENZOYLAMINO}-BUTYL)-PHTHALAMIC ACID, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | 著者 | Cody, V, Galitsky, N, Luft, J.R, Pangborn, W. | | 登録日 | 1997-09-17 | | 公開日 | 1998-04-29 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Comparison of two independent crystal structures of human dihydrofolate reductase ternary complexes reduced with nicotinamide adenine dinucleotide phosphate and the very tight-binding inhibitor PT523.
Biochemistry, 36, 1997
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4AQB
 | | MBL-Ficolin Associated Protein-1, MAP-1 aka MAP44 | | 分子名称: | CALCIUM ION, MANNAN-BINDING LECTIN SERINE PROTEASE 1, alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Skjoedt, M.O, Roversi, P, Hummelshoj, T, Palarasah, Y, Johnson, S, Lea, S.M, Garred, P. | | 登録日 | 2012-04-16 | | 公開日 | 2012-08-08 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (4.2 Å) | | 主引用文献 | Crystal Structure and Functional Characterization of the Complement Regulator Mannose-Binding Lectin (Mbl)/Ficolin-Associated Protein-1 (Map-1).
J.Biol.Chem., 287, 2012
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