3FND
 
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8RIJ
 | | Discovery of the first orally bioavailable ADAMTS7 inhibitor BAY-9835 | | Descriptor: | CALCIUM ION, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Schafer, M, Meibom, D, Wasnaire, P, Beyer, K, Broehl, A, Cancho-Grande, Y, Elowe, N, Henninger, K, Johannes, S, Jungmann, N, Krainz, T, Lindner, N, Maassen, S, MacDonald, B, Menshykau, D, Mittendorf, J, Sanchez, G, Stefan, E, Torge, A, Xing, Y, Zubov, D. | | Deposit date: | 2023-12-18 | | Release date: | 2024-02-21 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.96 Å) | | Cite: | BAY-9835: Discovery of the First Orally Bioavailable ADAMTS7 Inhibitor.
J.Med.Chem., 67, 2024
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3H74
 | | Crystal structure of pyridoxal kinase from Lactobacillus plantarum | | Descriptor: | GLYCEROL, Pyridoxal kinase, SULFATE ION | | Authors: | Bagaria, A, Kumaran, D, Burley, S.K, Swaminathan, S, New York SGX Research Center for Structural Genomics (NYSGXRC) | | Deposit date: | 2009-04-24 | | Release date: | 2009-05-26 | | Last modified: | 2021-02-10 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Crystal structure of pyridoxal kinase from Lactobacillus plantarum
To be Published
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3I3V
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3HS3
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6SLD
 | | Structure of the Phosphatidylcholine Binding Mutant of Yeast Sec14 Homolog Sfh1 (S175I,T177I) in Complex with Phosphatidylinositol | | Descriptor: | (1R)-2-{[(S)-hydroxy{[(1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}-1-[(octadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate, CRAL-TRIO domain-containing protein YKL091C | | Authors: | Berger, J, Fitz, M, Johnen, P, Shanmugaratnam, S, Hocker, B, Stiel, A.C, Schaaf, G. | | Deposit date: | 2019-08-19 | | Release date: | 2020-08-19 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Structure of the Phosphatidylcholine Binding Mutant of Yeast Sec14 Homolog Sfh1 (S175I,T177I) in Complex with Phosphatidylinositol
To Be Published
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3O8L
 | | Structure of phosphofructokinase from rabbit skeletal muscle | | Descriptor: | 6-phosphofructokinase, muscle type, ADENOSINE-5'-DIPHOSPHATE, ... | | Authors: | Banaszak, K, Chang, S.H, Rypniewski, W. | | Deposit date: | 2010-08-03 | | Release date: | 2011-02-02 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | The Crystal Structures of Eukaryotic Phosphofructokinases from Baker's Yeast and Rabbit Skeletal Muscle.
J.Mol.Biol., 407, 2011
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3G13
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6QMS
 | | NF-YB/C Heterodimer in Complex with NF-YA-derived Peptide Stabilized with C11-Hydrocarbon Linker | | Descriptor: | Nuclear transcription factor Y subunit alpha, Nuclear transcription factor Y subunit beta, Nuclear transcription factor Y subunit gamma | | Authors: | Kiehstaller, S, Jeganathan, S, Pearce, N.M, Wendt, M, Grossmann, T.N, Hennig, S. | | Deposit date: | 2019-02-08 | | Release date: | 2019-10-02 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Constrained Peptides with Fine-Tuned Flexibility Inhibit NF-Y Transcription Factor Assembly.
Angew.Chem.Int.Ed.Engl., 58, 2019
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3HV1
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3HYO
 | | Crystal structure of pyridoxal kinase from Lactobacillus plantarum in complex with ADP | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Pyridoxal kinase | | Authors: | Bagaria, A, Kumaran, D, Burley, S.K, Swaminathan, S, New York SGX Research Center for Structural Genomics (NYSGXRC) | | Deposit date: | 2009-06-22 | | Release date: | 2009-06-30 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Crystal structure of pyridoxal kinase from Lactobacillus plantarum in complex with ADP
To be Published
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3HUU
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6QP2
 | | Crystal structure of the PLP-bound C-S lyase from Staphylococcus hominis | | Descriptor: | Aminotransferase, PYRIDOXAL-5'-PHOSPHATE, Polyhistidine tag | | Authors: | Herman, R, Rudden, M, Wilkinson, A.J, Hanai, S, Thomas, G.H. | | Deposit date: | 2019-02-13 | | Release date: | 2020-03-04 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | The molecular basis of thioalcohol production in human body odour.
Sci Rep, 10, 2020
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3I3Y
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3HUT
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3GRA
 | | Crystal structure of AraC family transcriptional regulator from Pseudomonas putida | | Descriptor: | 1,2-ETHANEDIOL, MAGNESIUM ION, SULFATE ION, ... | | Authors: | Bagaria, A, Kumaran, D, Burley, S.K, Swaminathan, S, New York SGX Research Center for Structural Genomics (NYSGXRC) | | Deposit date: | 2009-03-25 | | Release date: | 2009-04-14 | | Last modified: | 2021-02-10 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal structure of AraC family transcriptional regulator from Pseudomonas putida
To be Published
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3GPV
 | | Crystal structure of a transcriptional regulator, MerR family from Bacillus thuringiensis | | Descriptor: | Transcriptional regulator, MerR family | | Authors: | Palani, K, Kumaran, D, Burley, S.K, Swaminathan, S, New York SGX Research Center for Structural Genomics (NYSGXRC) | | Deposit date: | 2009-03-23 | | Release date: | 2009-04-14 | | Last modified: | 2021-02-10 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal structure of a transcriptional regulator, MerR family from Bacillus thuringiensis
To be Published
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7BY6
 | | Plasmodium vivax cytoplasmic Phenylalanyl-tRNA synthetase in complex with BRD1389 | | Descriptor: | (3S,4R,8R,9R,10S)-N-(4-cyclopropyloxyphenyl)-10-(methoxymethyl)-3,4-bis(oxidanyl)-9-[4-(2-phenylethynyl)phenyl]-1,6-diazabicyclo[6.2.0]decane-6-carboxamide, MAGNESIUM ION, Phenylalanyl-tRNA synthetase beta chain, ... | | Authors: | Malhotra, N, Manmohan, S, Harlos, K, Melillo, B, Schreiber, S.L, Manickam, Y, Sharma, S. | | Deposit date: | 2020-04-21 | | Release date: | 2020-11-04 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.997 Å) | | Cite: | Structural basis of malaria parasite phenylalanine tRNA-synthetase inhibition by bicyclic azetidines.
Nat Commun, 12, 2021
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6S0K
 | | Ribosome nascent chain in complex with SecA | | Descriptor: | 23S ribosomal RNA, 50S ribosomal protein L10, 50S ribosomal protein L11, ... | | Authors: | Jomaa, A, Wang, S, Shan, S, Ban, N. | | Deposit date: | 2019-06-17 | | Release date: | 2019-10-09 | | Last modified: | 2024-07-10 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | The molecular mechanism of cotranslational membrane protein recognition and targeting by SecA.
Nat.Struct.Mol.Biol., 26, 2019
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3GBV
 | | Crystal structure of a putative LacI transcriptional regulator from Bacteroides fragilis | | Descriptor: | 1,2-ETHANEDIOL, Putative LacI-family transcriptional regulator, SODIUM ION | | Authors: | Syed Ibrahim, B, Kumaran, D, Burley, S.K, Swaminathan, S, New York SGX Research Center for Structural Genomics (NYSGXRC) | | Deposit date: | 2009-02-20 | | Release date: | 2009-03-10 | | Last modified: | 2021-02-10 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal structure of a putative LacI transcriptional regulator from Bacteroides fragilis
To be Published
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7D90
 | | human potassium-chloride co-transporter KCC3 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, potassium-chloride cotransporter 3 | | Authors: | Xie, Y, Chang, S, Zhao, C, Ye, S, Guo, J. | | Deposit date: | 2020-10-12 | | Release date: | 2020-12-30 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | Structures and an activation mechanism of human potassium-chloride cotransporters.
Sci Adv, 6, 2020
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7D8Z
 | | human potassium-chloride co-transporter KCC2 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, potassium-chloride cotransporter 2 | | Authors: | Xie, Y, Chang, S, Zhao, C, Ye, S, Guo, J. | | Deposit date: | 2020-10-11 | | Release date: | 2020-12-30 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Structures and an activation mechanism of human potassium-chloride cotransporters.
Sci Adv, 6, 2020
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2XNI
 | | Protein-ligand complex of a novel macrocyclic HCV NS3 protease inhibitor derived from amino cyclic boronates | | Descriptor: | (1-{[(10-tert-butyl-15,15-dimethyl-3,9,12-trioxo-6,7,9,10,11,12,14,15,16,17,18,19,23,23a-tetradecahydro-1H,5H-2,23:5,8-dimethano-4,13,2,8,11-benzodioxatriazacyclohenicosin-7(3H)-yl)carbonyl]amino}-3-hydroxypropyl)(trihydroxy)borate(1-), MAGNESIUM ION, NS3 PROTEASE, ... | | Authors: | Li, X, Zhang, Y.-K, Liu, Y, Ding, C.Z, Zhou, Y, Li, Q, Plattner, J.J, Baker, S.J, Zhang, S, Kazmierski, W.M, Wright, L.L, Smith, G.K, Grimes, R.M, Crosby, R.M, Creech, K.L, Carballo, L.H, Slater, M.J, Jarvest, R.L, Thommes, P, Hubbard, J.A, Convery, M.A, Nassau, P.M, McDowell, W, Skarzynski, T.J, Qian, X, Fan, D, Liao, L, Ni, Z.-J, Pennicott, L.E, Zou, W, Wright, J. | | Deposit date: | 2010-08-02 | | Release date: | 2011-08-17 | | Last modified: | 2012-09-26 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Novel Macrocyclic Hcv Ns3 Protease Inhibitors Derived from Alpha-Amino Cyclic Boronates.
Bioorg.Med.Chem.Lett., 20, 2010
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6RVU
 | | Crystal structure of the Burkholderia Lethal Factor 1 (BLF1) | | Descriptor: | 1,2-ETHANEDIOL, Lethal Factor 1 (BLF1) | | Authors: | Mobbs, G.W, Aziz, A.A, Blackburn, G.M, Sedelnikova, S.E, Minshull, T.C, Dickman, M.J, Baker, P.J, Nathan, S, Firdaus-Raih, M, Rice, D.W. | | Deposit date: | 2019-06-01 | | Release date: | 2020-07-15 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (0.99 Å) | | Cite: | Molecular basis of specificity and deamidation of eIF4A by Burkholderia Lethal Factor 1.
Commun Biol, 5, 2022
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3IO1
 | | Crystal Structure of Aminobenzoyl-glutamate utilization protein from Klebsiella pneumoniae | | Descriptor: | Aminobenzoyl-glutamate utilization protein, SODIUM ION, YTTRIUM (III) ION | | Authors: | Kumaran, D, Baumann, K, Burley, S.K, Swaminathan, S, New York SGX Research Center for Structural Genomics (NYSGXRC) | | Deposit date: | 2009-08-13 | | Release date: | 2009-08-25 | | Last modified: | 2021-02-10 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal Structure of Aminobenzoyl-glutamate utilization protein from Klebsiella pneumoniae
To be Published
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