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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