5ZJZ
 
 | | Stapled-peptides tailored against initiation of translation | | Descriptor: | 7N-METHYL-8-HYDROGUANOSINE-5'-TRIPHOSPHATE, Eukaryotic translation initiation factor 4 gamma 1, Eukaryotic translation initiation factor 4E | | Authors: | Lama, D, Liberator, A, Frosi, Y, Nakhle, J, Tsomia, N, Bashir, T, Lane, D.P, Brown, C.J, Verma, C.S, Auvin, S, Ciesielski, F, Uhring, M. | | Deposit date: | 2018-03-22 | | Release date: | 2019-02-20 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.67 Å) | | Cite: | Structural insights reveal a recognition feature for tailoring hydrocarbon stapled-peptides against the eukaryotic translation initiation factor 4E protein.
Chem Sci, 10, 2019
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7F1I
 | | Designed enzyme RA61 M48K/I72D mutant: form II | | Descriptor: | Engineered Retroaldolase | | Authors: | Fujioka, T, Oka, M, Numoto, N, Ito, N, Oda, M, Tanaka, F. | | Deposit date: | 2021-06-09 | | Release date: | 2021-11-24 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Varying the Directionality of Protein Catalysts for Aldol and Retro-Aldol Reactions.
Chembiochem, 23, 2022
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7F1H
 | | Designed enzyme RA61 M48K/I72D mutant: form I | | Descriptor: | Engineered Retroaldolase, FORMIC ACID, GLYCEROL | | Authors: | Fujioka, T, Oka, M, Numoto, N, Ito, N, Oda, M, Tanaka, F. | | Deposit date: | 2021-06-09 | | Release date: | 2021-11-24 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.14 Å) | | Cite: | Varying the Directionality of Protein Catalysts for Aldol and Retro-Aldol Reactions.
Chembiochem, 23, 2022
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7F1J
 | | Designed enzyme RA61 M48K/I72D mutant: form III | | Descriptor: | Engineered Retroaldolase | | Authors: | Fujioka, T, Oka, M, Numoto, N, Ito, N, Oda, M, Tanaka, F. | | Deposit date: | 2021-06-09 | | Release date: | 2021-11-24 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Varying the Directionality of Protein Catalysts for Aldol and Retro-Aldol Reactions.
Chembiochem, 23, 2022
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7F1K
 | | Designed enzyme RA61 M48K/I72D mutant: form IV | | Descriptor: | Engineered Retroaldolase | | Authors: | Fujioka, T, Oka, M, Numoto, N, Ito, N, Oda, M, Tanaka, F. | | Deposit date: | 2021-06-09 | | Release date: | 2021-11-24 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.05 Å) | | Cite: | Varying the Directionality of Protein Catalysts for Aldol and Retro-Aldol Reactions.
Chembiochem, 23, 2022
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7F1L
 | | Designed enzyme RA61 M48K/I72D mutant: form V | | Descriptor: | CHLORIDE ION, Engineered Retroaldolase, IMIDAZOLE | | Authors: | Fujioka, T, Oka, M, Numoto, N, Ito, N, Oda, M, Tanaka, F. | | Deposit date: | 2021-06-09 | | Release date: | 2021-11-24 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Varying the Directionality of Protein Catalysts for Aldol and Retro-Aldol Reactions.
Chembiochem, 23, 2022
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3AKB
 | | Structural basis for prokaryotic calcium-mediated regulation by a Streptomyces coelicolor calcium-binding protein | | Descriptor: | CALCIUM ION, Putative calcium binding protein | | Authors: | Zhao, X, Pang, H, Wang, S, Zhou, W, Yang, K, Bartlam, M. | | Deposit date: | 2010-07-09 | | Release date: | 2011-01-26 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Structural basis for prokaryotic calciummediated regulation by a Streptomyces coelicolor calcium binding protein
Protein Cell, 1, 2010
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3AKA
 | | Structural basis for prokaryotic calcium-mediated regulation by a Streptomyces coelicolor calcium-binding protein | | Descriptor: | CALCIUM ION, Putative calcium binding protein | | Authors: | Zhao, X, Pang, H, Wang, S, Zhou, W, Yang, K, Bartlam, M. | | Deposit date: | 2010-07-09 | | Release date: | 2011-01-26 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural basis for prokaryotic calciummediated regulation by a Streptomyces coelicolor calcium binding protein
Protein Cell, 1, 2010
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6PEQ
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4AXH
 | | Structure and mechanism of the first inverting alkylsulfatase specific for secondary alkylsulfatases | | Descriptor: | SEC-ALKYLSULFATASE, SULFATE ION, ZINC ION | | Authors: | Knaus, T, Schober, M, Faber, K, Macheroux, P, Wagner, U.G. | | Deposit date: | 2012-06-13 | | Release date: | 2012-12-05 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structure and Mechanism of an Inverting Alkylsulfatase from Pseudomonas Sp. Dsm6611 Specific for Secondary Alkylsulfates.
FEBS J., 279, 2012
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5ZK7
 | | Stapled-peptides tailored against initiation of translation | | Descriptor: | 7N-METHYL-8-HYDROGUANOSINE-5'-TRIPHOSPHATE, ACE-ARG-TYR-SER-ARG-MK8-GLN-LEU-LEU-MK8-LEU-PHE-ARG-NH2, CHLORIDE ION, ... | | Authors: | Lama, D, Liberator, A, Frosi, Y, Nakhle, J, Tsomia, N, Bashir, T, Lane, D.P, Brown, C.J, Verma, C.S, Auvin, S, Ciesielski, F, Uhring, M. | | Deposit date: | 2018-03-23 | | Release date: | 2019-02-20 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.12 Å) | | Cite: | Structural insights reveal a recognition feature for tailoring hydrocarbon stapled-peptides against the eukaryotic translation initiation factor 4E protein.
Chem Sci, 10, 2019
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5ZML
 | | Stapled-peptides tailored against initiation of translation | | Descriptor: | 1,2-ETHANEDIOL, ACE-LYS-LYS-ARG-TYR-SER-ARG-MK8-GLN-LEU-LEU-MK8-PHE-ARG-ARG, Eukaryotic translation initiation factor 4E, ... | | Authors: | Lama, D, Liberator, A, Frosi, Y, Nakhle, J, Tsomia, N, Bashir, T, Lane, D.P, Brown, C.J, Verma, C.S, Auvin, S, Yano, J. | | Deposit date: | 2018-04-04 | | Release date: | 2019-02-20 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural insights reveal a recognition feature for tailoring hydrocarbon stapled-peptides against the eukaryotic translation initiation factor 4E protein.
Chem Sci, 10, 2019
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5ZJY
 | | Stapled-peptides tailored against initiation of translation | | Descriptor: | 7-METHYL-GUANOSINE-5'-TRIPHOSPHATE, Eukaryotic translation initiation factor 4E, LYS-LYS-ARG-TYR-SER-ARG-2JN-GLN-LEU-LEU-2JN-PHE | | Authors: | Lama, D, Liberator, A, Frosi, Y, Nakhle, J, Tsomia, N, Bashir, T, Lane, D.P, Brown, C.J, Verma, C.S, Auvin, S, Ciesielski, B, Uhring, M. | | Deposit date: | 2018-03-22 | | Release date: | 2019-03-20 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.59 Å) | | Cite: | Structural insights reveal a recognition feature for tailoring hydrocarbon stapled-peptides against the eukaryotic translation initiation factor 4E protein.
Chem Sci, 10, 2019
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5ZK5
 | | Stapled-peptides tailored against initiation of translation | | Descriptor: | 7N-METHYL-8-HYDROGUANOSINE-5'-TRIPHOSPHATE, Eukaryotic translation initiation factor 4E, LYS-ARG-TYR-SER-ARG-GLU-GLN-LEU-LEU-MK8-PHE-GLN-ARG-MK8 | | Authors: | Lama, D, Liberator, A, Frosi, Y, Nakhle, J, Tsomia, N, Bashir, T, Lane, D.P, Brown, C.J, Verma, C.S, Auvin, S, Ciesielski, F, Uhring, M. | | Deposit date: | 2018-03-23 | | Release date: | 2019-02-20 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Structural insights reveal a recognition feature for tailoring hydrocarbon stapled-peptides against the eukaryotic translation initiation factor 4E protein.
Chem Sci, 10, 2019
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1A5F
 | | FAB FRAGMENT OF A MONOCLONAL ANTI-E-SELECTIN ANTIBODY | | Descriptor: | MONOCLONAL ANTI-E-SELECTIN 7A9 ANTIBODY (HEAVY CHAIN), MONOCLONAL ANTI-E-SELECTIN 7A9 ANTIBODY (LIGHT CHAIN) | | Authors: | Rodriguez-Romero, A, Almog, O, Tordova, M, Randhawa, Z. | | Deposit date: | 1998-02-16 | | Release date: | 1999-04-20 | | Last modified: | 2023-08-02 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Primary and tertiary structures of the Fab fragment of a monoclonal anti-E-selectin 7A9 antibody that inhibits neutrophil attachment to endothelial cells.
J.Biol.Chem., 273, 1998
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2UXZ
 | | Two-Carbon-Elongated HIV-1 Protease Inhibitors with a Tertiary- Alcohol-Containing Transition-State Mimic | | Descriptor: | HIV-1 PROTEASE, METHYL [(1S)-1-({2-[(4R)-4-BENZYL-4-HYDROXY-5-{[(1S,2R)-2-HYDROXY-2,3-DIHYDRO-1H-INDEN-1-YL]AMINO}-5-OXOPENTYL]-2-(4-BROMOBENZYL)HYDRAZINO}CARBONYL)-2,2-DIMETHYLPROPYL]CARBAMATE | | Authors: | Ginman, N, Samuelsson, B, Hallberg, A, Unge, J.T, Unge, T.K. | | Deposit date: | 2007-04-02 | | Release date: | 2008-05-20 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Two-Carbon-Elongated HIV-1 Protease Inhibitors with a Tertiary-Alcohol-Containing Transition-State Mimic.
J.Med.Chem., 51, 2008
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2UY0
 | | Two-Carbon-Elongated HIV-1 Protease Inhibitors with a Tertiary- Alcohol-Containing Transition-State Mimic | | Descriptor: | HIV-1 PROTEASE, METHYL [(1S)-1-({2-[(4R)-4-BENZYL-4-HYDROXY-5-{[(1S,2R)-2-HYDROXY-2,3-DIHYDRO-1H-INDEN-1-YL]AMINO}-5-OXOPENTANOYL]-2-(4-BROMOBENZYL)HYDRAZINO}CARBONYL)-2,2-DIMETHYLPROPYL]CARBAMATE | | Authors: | Ginman, N, Samuelsson, B, Hallberg, A, Unge, J.T, Unge, T.K. | | Deposit date: | 2007-04-02 | | Release date: | 2008-05-20 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | Two-Carbon-Elongated HIV-1 Protease Inhibitors with a Tertiary-Alcohol-Containing Transition-State Mimic.
J.Med.Chem., 51, 2008
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3MYW
 | | The Bowman-Birk type inhibitor from mung bean in ternary complex with porcine trypsin | | Descriptor: | Bowman-Birk type trypsin inhibitor, CALCIUM ION, Trypsin | | Authors: | Engh, R.A, Bode, W, Huber, R, Lin, G, Chi, C. | | Deposit date: | 2010-05-11 | | Release date: | 2010-12-29 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | The 0.25-nm X-ray structure of the Bowman-Birk-type inhibitor from mung bean in ternary complex with porcine trypsin.
Eur.J.Biochem., 212, 1993
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3NXO
 | | Perferential Selection of Isomer Binding from Chiral Mixtures: Alternate Binding Modes Observed for the E- and Z-isomers of a Series of 5-Substituted 2,4-Diaminofuro[2,3-d]pyrimidines as Ternary Complexes with NADPH and Human Dihydrofolate Reductase | | Descriptor: | 5-[(1Z)-2-(2-methoxyphenyl)-3-methylbut-1-en-1-yl]furo[2,3-d]pyrimidine-2,4-diamine, Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | Authors: | Cody, V. | | Deposit date: | 2010-07-14 | | Release date: | 2010-12-01 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Preferential selection of isomer binding from chiral mixtures: alternate binding modes observed for the E and Z isomers of a series of 5-substituted 2,4-diaminofuro[2,3-d]pyrimidines as ternary complexes with NADPH and human dihydrofolate reductase.
Acta Crystallogr.,Sect.D, 66, 2010
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3NXV
 | | Preferential Selection of Isomer Binding from Chiral Mixtures: Alternate Binding Modes Observed for the E- and Z-isomers of a Series of 5-Substituted 2,4-Diaminofuro[2,3-d]pyrimidines as Ternary Complexes with NADPH and Human Dihydrofolate Reductase | | Descriptor: | 5-[(1E)-2-(2-methoxyphenyl)hex-1-en-1-yl]furo[2,3-d]pyrimidine-2,4-diamine, Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | Authors: | Cody, V. | | Deposit date: | 2010-07-14 | | Release date: | 2010-12-01 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Preferential selection of isomer binding from chiral mixtures: alternate binding modes observed for the E and Z isomers of a series of 5-substituted 2,4-diaminofuro[2,3-d]pyrimidines as ternary complexes with NADPH and human dihydrofolate reductase.
Acta Crystallogr.,Sect.D, 66, 2010
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6HVH
 | | Human PFKFB3 in complex with a N-Aryl 6-Aminoquinoxaline inhibitor 1 | | Descriptor: | 3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-~{N}-(oxan-4-yl)pyridine-4-carboxamide, 6-O-phosphono-beta-D-fructofuranose, 6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3, ... | | Authors: | Banaszak, K, Jakubiec, K, Bialas, A, Fabritius, C.H, Nowak, M. | | Deposit date: | 2018-10-11 | | Release date: | 2018-11-14 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (2.36 Å) | | Cite: | Discovery and Structure-Activity Relationships of N-Aryl 6-Aminoquinoxalines as Potent PFKFB3 Kinase Inhibitors.
ChemMedChem, 14, 2019
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6HVJ
 | | Human PFKFB3 in complex with a N-Aryl 6-Aminoquinoxaline inhibitor 3 | | Descriptor: | 6-O-phosphono-beta-D-fructofuranose, 6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3, 8-(3-methyl-1-benzofuran-5-yl)-~{N}-(4-methylsulfonylpyridin-3-yl)quinoxalin-6-amine, ... | | Authors: | Banaszak, K, Pawlik, H, Bialas, A, Fabritius, C.H, Nowak, M. | | Deposit date: | 2018-10-11 | | Release date: | 2018-11-14 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (2.28 Å) | | Cite: | Discovery and Structure-Activity Relationships of N-Aryl 6-Aminoquinoxalines as Potent PFKFB3 Kinase Inhibitors.
ChemMedChem, 14, 2019
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7OJM
 | | CRYSTAL STRUCTURE OF THE COFACTOR-DEVOID 1-H-3-HYDROXY-4- OXOQUINALDINE 2,4-DIOXYGENASE (HOD) CATALYTICALLY INACTIVE H251A VARIANT COMPLEXED WITH 2-METHYL-QUINOLIN-4(1H)-ONE UNDER NORMOXIC CONDITIONS | | Descriptor: | 1H-3-hydroxy-4-oxoquinaldine 2,4-dioxygenase, 2-methyl-quinolin-4(1H)-one, GLYCEROL, ... | | Authors: | Bui, S, Steiner, R.A. | | Deposit date: | 2021-05-16 | | Release date: | 2022-06-01 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.001 Å) | | Cite: | Evolutionary adaptation from hydrolytic to oxygenolytic catalysis at the alpha / beta-hydrolase fold.
Chem Sci, 14, 2023
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7OKZ
 | | CRYSTAL STRUCTURE OF THE COFACTOR-DEVOID 1-H-3-HYDROXY-4- OXOQUINALDINE 2,4-DIOXYGENASE (HOD) CATALYTICALLY INACTIVE H251A VARIANT COMPLEXED WITH 2-METHYL- QUINOLIN-4(1H)-ONE UNDER HYPEROXIC CONDITIONS | | Descriptor: | 1H-3-hydroxy-4-oxoquinaldine 2,4-dioxygenase, 2-methyl-quinolin-4(1H)-one, D(-)-TARTARIC ACID, ... | | Authors: | Bui, S, Steiner, R.A. | | Deposit date: | 2021-05-18 | | Release date: | 2022-06-01 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.101 Å) | | Cite: | Evolutionary adaptation from hydrolytic to oxygenolytic catalysis at the alpha / beta-hydrolase fold.
Chem Sci, 14, 2023
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2QQE
 | | Thymidine Kinase from Thermotoga Maritima in complex with Thymidine | | Descriptor: | THYMIDINE, Thymidine kinase, ZINC ION | | Authors: | Segura-Pena, D, Lichter, J, Trani, M, Konrad, M, Lavie, A, Lutz, S. | | Deposit date: | 2007-07-26 | | Release date: | 2007-10-16 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Quaternary structure change as a mechanism for the regulation of thymidine kinase 1-like enzymes.
Structure, 15, 2007
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