6NPV
 
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6NPU
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6CUV
 | | Engineered Holo TrpB from Pyrococcus furiosus, PfTrpB7E6 | | Descriptor: | PHOSPHATE ION, SODIUM ION, Tryptophan synthase beta chain 1 | | Authors: | Scheele, R.A, Buller, A.R, Boville, C.E, Arnold, F.H. | | Deposit date: | 2018-03-26 | | Release date: | 2018-09-26 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.26 Å) | | Cite: | Engineered Biosynthesis of beta-Alkyl Tryptophan Analogues.
Angew. Chem. Int. Ed. Engl., 57, 2018
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3EIR
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3EIT
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1KBQ
 | | Complex of Human NAD(P)H quinone Oxidoreductase with 5-methoxy-1,2-dimethyl-3-(4-nitrophenoxymethyl)indole-4,7-dione (ES936) | | Descriptor: | 5-METHOXY-1,2-DIMETHYL-3-(4-NITROPHENOXYMETHYL)INDOLE-4,7-DIONE, FLAVIN-ADENINE DINUCLEOTIDE, NAD(P)H dehydrogenase [quinone] 1 | | Authors: | Faig, M, Bianchet, M.A, Amzel, L.M. | | Deposit date: | 2001-11-06 | | Release date: | 2002-01-16 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Characterization of a mechanism-based inhibitor of NAD(P)H:quinone oxidoreductase 1 by biochemical, X-ray crystallographic, and mass spectrometric approaches.
Biochemistry, 40, 2001
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1KBO
 | | Complex of Human recombinant NAD(P)H:Quinone Oxide reductase type 1 with 5-methoxy-1,2-dimethyl-3-(phenoxymethyl)indole-4,7-dione (ES1340) | | Descriptor: | 5-METHOXY-1,2-DIMETHYL-3-(PHENOXYMETHYL)INDOLE-4,7-DIONE, FLAVIN-ADENINE DINUCLEOTIDE, NAD(P)H dehydrogenase [quinone] 1 | | Authors: | Faig, M, Bianchet, M.A, Amzel, L.M. | | Deposit date: | 2001-11-06 | | Release date: | 2002-01-16 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Characterization of a mechanism-based inhibitor of NAD(P)H:quinone oxidoreductase 1 by biochemical, X-ray crystallographic, and mass spectrometric approaches.
Biochemistry, 40, 2001
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8YBF
 | | Crystal structure of canine distemper virus hemagglutinin | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin glycoprotein | | Authors: | Fukuhara, H, Yumoto, K, Sako, M, Kajikawa, M, Ose, T, Hashiguchi, T, Kamishikiryo, J, Maita, N, Kuroki, K, Maenaka, K. | | Deposit date: | 2024-02-13 | | Release date: | 2024-07-31 | | Last modified: | 2024-08-14 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Glycan-shielded homodimer structure and dynamical features of the canine distemper virus hemagglutinin relevant for viral entry and efficient vaccination.
Elife, 12, 2024
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2IO8
 | | E. coli Bifunctional glutathionylspermidine synthetase/amidase Incomplex with Mg2+ and ADP | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Bifunctional glutathionylspermidine synthetase/amidase, CYSTEINE, ... | | Authors: | Pai, C.H, Chiang, B.Y, Ko, T.P, Chou, C.C, Chong, C.M, Yen, F.J, Coward, J.K, Wang, A.H.-J, Lin, C.H. | | Deposit date: | 2006-10-10 | | Release date: | 2006-12-12 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Dual binding sites for translocation catalysis by Escherichia coli glutathionylspermidine synthetase
Embo J., 25, 2006
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2IOA
 | | E. coli Bifunctional glutathionylspermidine synthetase/amidase Incomplex with Mg2+ and ADP and phosphinate inhibitor | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Bifunctional glutathionylspermidine synthetase/amidase, D-GAMMA-GLUTAMYL-N-{[(R)-{4-[(4-AMINOBUTYL)AMINO]BUTYL}(PHOSPHONOOXY)PHOSPHORYL]METHYL}-D-ALANINAMIDE, ... | | Authors: | Pai, C.H, Chiang, B.Y, Ko, T.P, Chou, C.C, Chong, C.M, Yen, F.J, Coward, J.K, Wang, A.H.-J, Lin, C.H. | | Deposit date: | 2006-10-10 | | Release date: | 2006-12-12 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Dual binding sites for translocation catalysis by Escherichia coli glutathionylspermidine synthetase
Embo J., 25, 2006
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2IO9
 | | E. coli Bifunctional glutathionylspermidine synthetase/amidase Incomplex with Mg2+ ,GSH and ADP | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Bifunctional glutathionylspermidine synthetase/amidase, GLUTATHIONE, ... | | Authors: | Pai, C.H, Chiang, B.Y, Ko, T.P, Chou, C.C, Chong, C.M, Yen, F.J, Coward, J.K, Wang, A.H.-J, Lin, C.H. | | Deposit date: | 2006-10-10 | | Release date: | 2006-12-12 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Dual binding sites for translocation catalysis by Escherichia coli glutathionylspermidine synthetase
Embo J., 25, 2006
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2IOB
 | | E. coli Bifunctional glutathionylspermidine synthetase/amidase Apo protein | | Descriptor: | Bifunctional glutathionylspermidine synthetase/amidase | | Authors: | Pai, C.H, Chiang, B.Y, Ko, T.P, Chou, C.C, Chong, C.M, Yen, F.J, Coward, J.K, Wang, A.H.-J, Lin, C.H. | | Deposit date: | 2006-10-10 | | Release date: | 2006-12-12 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Dual binding sites for translocation catalysis by Escherichia coli glutathionylspermidine synthetase
Embo J., 25, 2006
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2IO7
 | | E. coli Bifunctional glutathionylspermidine synthetase/amidase Incomplex with Mg2+ and AMPPNP | | Descriptor: | Bifunctional glutathionylspermidine synthetase/amidase, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER | | Authors: | Pai, C.H, Chiang, B.Y, Ko, T.P, Chong, C.M, Yen, F.J, Coward, J.K, Wang, A.H.-J, Lin, C.H. | | Deposit date: | 2006-10-10 | | Release date: | 2006-12-12 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Dual binding sites for translocation catalysis by Escherichia coli glutathionylspermidine synthetase
Embo J., 25, 2006
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6NJL
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6NJN
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5QII
 | | CRYSTAL STRUCTURE OF 11BETA-HSD1 DOUBLE MUTANT (L262R, F278E) COMPLEXED WITH 2-(3-(1-(4-CHLOROPHENYL)CYCLOPROPYL) -[1,2,4]TRIAZOLO[4,3-A]PYRIDIN-8-YL)PROPAN-2-OL | | Descriptor: | 2-{3-[1-(4-chlorophenyl)cyclopropyl][1,2,4]triazolo[4,3-a]pyridin-8-yl}propan-2-ol, Corticosteroid 11-beta-dehydrogenase isozyme 1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Sheriff, S. | | Deposit date: | 2018-07-03 | | Release date: | 2018-12-19 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Discovery of Clinical Candidate BMS-823778 as an Inhibitor of Human 11 beta-Hydroxysteroid Dehydrogenase Type 1 (11 beta-HSD-1).
ACS Med Chem Lett, 9, 2018
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5QIJ
 | | CRYSTAL STRUCTURE OF MURINE 11B- HYDROXYSTEROIDDEHYDROGENASE COMPLEXED WITH 2-(3-(1-(4- CHLOROPHENYL)CYCLOPROPYL)-[1,2,4]TRIAZOLO[4,3-A]PYRIDIN-8- YL)PROPAN-2-OL | | Descriptor: | 2-{3-[1-(4-chlorophenyl)cyclopropyl][1,2,4]triazolo[4,3-a]pyridin-8-yl}propan-2-ol, Corticosteroid 11-beta-dehydrogenase isozyme 1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | Authors: | Sheriff, S. | | Deposit date: | 2018-07-03 | | Release date: | 2018-12-19 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Discovery of Clinical Candidate BMS-823778 as an Inhibitor of Human 11 beta-Hydroxysteroid Dehydrogenase Type 1 (11 beta-HSD-1).
ACS Med Chem Lett, 9, 2018
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5MSL
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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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8HTR
 | | Crystal structure of Bcl2 in complex with S-9c | | Descriptor: | 4-[4-[(2~{S})-2-(2-chlorophenyl)pyrrolidin-1-yl]phenyl]-~{N}-[3-nitro-4-(oxan-4-ylmethylamino)phenyl]sulfonyl-2-(1~{H}-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide, Apoptosis regulator Bcl-2 | | Authors: | Liu, J, Xu, M, Feng, Y, Liu, Y. | | Deposit date: | 2022-12-21 | | Release date: | 2024-05-15 | | Last modified: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Discovery of the Clinical Candidate Sonrotoclax (BGB-11417), a Highly Potent and Selective Inhibitor for Both WT and G101V Mutant Bcl-2.
J.Med.Chem., 67, 2024
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8HTS
 | | Crystal structure of Bcl2 in complex with S-10r | | Descriptor: | 4-[2-[(2~{S})-2-(2-cyclopropylphenyl)pyrrolidin-1-yl]-7-azaspiro[3.5]nonan-7-yl]-~{N}-[3-nitro-4-(oxan-4-ylmethylamino)phenyl]sulfonyl-2-(1~{H}-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide, Apoptosis regulator Bcl-2 | | Authors: | Liu, J, Xu, M, Feng, Y, Liu, Y. | | Deposit date: | 2022-12-21 | | Release date: | 2024-05-15 | | Last modified: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | Discovery of the Clinical Candidate Sonrotoclax (BGB-11417), a Highly Potent and Selective Inhibitor for Both WT and G101V Mutant Bcl-2.
J.Med.Chem., 67, 2024
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6IEG
 | | Crystal structure of human MTR4 | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Exosome RNA helicase MTR4, MAGNESIUM ION | | Authors: | Chen, J.Y, Yun, C.H. | | Deposit date: | 2018-09-14 | | Release date: | 2019-04-03 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (3.55 Å) | | Cite: | NRDE2 negatively regulates exosome functions by inhibiting MTR4 recruitment and exosome interaction.
Genes Dev., 33, 2019
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6IEH
 | | Crystal structures of the hMTR4-NRDE2 complex | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, CHLORIDE ION, Exosome RNA helicase MTR4, ... | | Authors: | Chen, J.Y, Yun, C.H. | | Deposit date: | 2018-09-14 | | Release date: | 2019-04-03 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.892 Å) | | Cite: | NRDE2 negatively regulates exosome functions by inhibiting MTR4 recruitment and exosome interaction.
Genes Dev., 33, 2019
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5NP7
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6NHW
 | | Structure of the transmembrane domain of the Death Receptor 5 - Dimer of Trimer | | Descriptor: | Tumor necrosis factor receptor superfamily member 10B | | Authors: | Chou, J.J, Pan, L, Fu, Q, Zhao, L, Chen, W, Piai, A, Fu, T, Wu, H. | | Deposit date: | 2018-12-24 | | Release date: | 2019-02-27 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Higher-Order Clustering of the Transmembrane Anchor of DR5 Drives Signaling.
Cell, 176, 2019
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