7UHX
| Horse liver alcohol dehydrogenase G173A, complexed with NAD+ and 2,3,4,5,6-pentafluorobenzyl alcohol at 150 K | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, 2,3,4,5,6-PENTAFLUOROBENZYL ALCOHOL, Alcohol dehydrogenase E chain, ... | Authors: | Plapp, B.V, Gakhar, L. | Deposit date: | 2022-03-27 | Release date: | 2022-04-06 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Dependence of crystallographic atomic displacement factors on temperature (25-150 K) for complexes of horse liver alcohol dehydrogenases Acta Crystallogr.,Sect.D, D78, 2022
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7UHV
| Horse liver alcohol dehydrogenase G173A, complexed with NAD+ and 2,3,4,5,6-pentafluorobenzyl alcohol at 50 K | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, 2,3,4,5,6-PENTAFLUOROBENZYL ALCOHOL, Alcohol dehydrogenase E chain, ... | Authors: | Plapp, B.V, Gakhar, L. | Deposit date: | 2022-03-27 | Release date: | 2022-04-06 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Dependence of crystallographic atomic displacement factors on temperature (25-150 K) for complexes of horse liver alcohol dehydrogenases Acta Crystallogr.,Sect.D, D78, 2022
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2HMW
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2HMT
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2HMS
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2HMU
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2HMV
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7OUK
| BDM88855 inhibitor bound to the transmembrane domain of AcrB | Descriptor: | (2S)-3-hydroxypropane-1,2-diyl didecanoate, (2S)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-hydroxypropyl hexadecanoate, 1,2-ETHANEDIOL, ... | Authors: | Tam, H.K, Foong, W.E, Pos, K.M. | Deposit date: | 2021-06-12 | Release date: | 2021-12-29 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Pyridylpiperazine-based allosteric inhibitors of RND-type multidrug efflux pumps. Nat Commun, 13, 2022
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7OUL
| BDM88832 inhibitor bound to the transmembrane domain of AcrB-R971A | Descriptor: | (2S)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-hydroxypropyl hexadecanoate, 1,2-ETHANEDIOL, 1-(3-chloranyl-5-iodanyl-pyridin-2-yl)piperazine, ... | Authors: | Tam, H.K, Foong, W.E, Pos, K.M. | Deposit date: | 2021-06-12 | Release date: | 2021-12-29 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Pyridylpiperazine-based allosteric inhibitors of RND-type multidrug efflux pumps. Nat Commun, 13, 2022
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7OUM
| BDM88855 inhibitor bound to the transmembrane domain of AcrB-R971A | Descriptor: | (2S)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-hydroxypropyl hexadecanoate, 1,2-ETHANEDIOL, 3-chloranyl-2-piperazin-1-yl-quinoline, ... | Authors: | Tam, H.K, Foong, W.E, Pos, K.M. | Deposit date: | 2021-06-12 | Release date: | 2021-12-29 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Pyridylpiperazine-based allosteric inhibitors of RND-type multidrug efflux pumps. Nat Commun, 13, 2022
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6GW5
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7UR7
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7UR8
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6XNS
| C3_crown-05 | Descriptor: | C3_crown-05 | Authors: | Bick, M.J, Hsia, Y, Sankaran, B, Baker, D. | Deposit date: | 2020-07-04 | Release date: | 2020-12-23 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (3.19 Å) | Cite: | Design of multi-scale protein complexes by hierarchical building block fusion. Nat Commun, 12, 2021
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6XT4
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6XI6
| Hierarchical design of multi-scale protein complexes by combinatorial assembly of oligomeric helical bundle and repeat protein building blocks | Descriptor: | helical fusion design | Authors: | Bera, A.K, Hsia, Y, Kang, A.S, Shankaran, B, Baker, D. | Deposit date: | 2020-06-19 | Release date: | 2021-06-02 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.69 Å) | Cite: | Design of multi-scale protein complexes by hierarchical building block fusion. Nat Commun, 12, 2021
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6XH5
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6XSS
| CryoEM structure of designed helical fusion protein C4_nat_HFuse-7900 | Descriptor: | C4_nat_HFuse-7900 | Authors: | Redler, R.L, Edman, N.I, Baker, D, Ekiert, D, Bhabha, G. | Deposit date: | 2020-07-16 | Release date: | 2020-12-23 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (3.7 Å) | Cite: | Design of multi-scale protein complexes by hierarchical building block fusion. Nat Commun, 12, 2021
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5E83
| CRYSTAL STRUCTURE OF CARBONMONOXY HEMOGLOBIN S (LIGANDED SICKLE CELL HEMOGLOBIN) COMPLEXED WITH GBT440, CO-CRYSTALLIZATION EXPERIMENT | Descriptor: | 2-methyl-3-({2-[1-(propan-2-yl)-1H-pyrazol-5-yl]pyridin-3-yl}methoxy)phenol, CARBON MONOXIDE, GLYCEROL, ... | Authors: | Patskovska, L, Patskovsky, Y, Bonanno, J.B, Almo, S.C. | Deposit date: | 2015-10-13 | Release date: | 2016-07-20 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | GBT440 increases haemoglobin oxygen affinity, reduces sickling and prolongs RBC half-life in a murine model of sickle cell disease. Br.J.Haematol., 175, 2016
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3ETA
| Kinase domain of insulin receptor complexed with a pyrrolo pyridine inhibitor | Descriptor: | 1-(3-{5-[4-(aminomethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl}phenyl)-3-(2-phenoxyphenyl)urea, insulin receptor, kinase domain | Authors: | Patnaik, S, Stevens, K, Gerding, R, Deanda, F, Shotwell, B, Tang, J, Hamajima, T, Nakamura, H, Leesnitzer, A, Hassell, A, Shewchuk, L, Kumar, R, Lei, H, Chamberlain, S. | Deposit date: | 2008-10-07 | Release date: | 2009-05-26 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Discovery of 3,5-disubstituted-1H-pyrrolo[2,3-b]pyridines as potent inhibitors of the insulin-like growth factor-1 receptor (IGF-1R) tyrosine kinase. Bioorg.Med.Chem.Lett., 19, 2009
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5LP2
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2UVK
| Structure of YjhT | Descriptor: | YJHT | Authors: | Muller, A, Severi, E, Wilson, K.S, Thomas, G.H. | Deposit date: | 2007-03-12 | Release date: | 2007-12-04 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Sialic Acid Mutarotation is Catalyzed by the Escherichia Coli Beta-Propeller Protein Yjht. J.Biol.Chem., 283, 2008
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3ZRZ
| Crystal structure of the second and third fibronectin F1 modules in complex with a fragment of Streptococcus pyogenes SfbI-5 | Descriptor: | FIBRONECTIN, FIBRONECTIN-BINDING PROTEIN, GLYCEROL, ... | Authors: | Norris, N.C, Bingham, R.J, Potts, J.R. | Deposit date: | 2011-06-21 | Release date: | 2011-09-28 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural and Functional Analysis of the Tandem Beta-Zipper Interaction of a Streptococcal Protein with Human Fibronectin. J.Biol.Chem., 286, 2011
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4WMV
| STRUCTURE OF MBP-MCL1 BOUND TO ligand 4 AT 2.4A | Descriptor: | 3-chloro-6-fluoro-1-benzothiophene-2-carboxylic acid, CHLORIDE ION, MAGNESIUM ION, ... | Authors: | Clifton, M.C, Moulin, A. | Deposit date: | 2014-10-09 | Release date: | 2015-05-06 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | A Maltose-Binding Protein Fusion Construct Yields a Robust Crystallography Platform for MCL1. Plos One, 10, 2015
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5U3I
| CRYSTAL STRUCTURE OF CARBONMONOXY HEMOGLOBIN S (LIGANDED SICKLE CELL HEMOGLOBIN) COMPLEXED WITH GBT compound 31 | Descriptor: | 2-methoxy-5-({2-[1-(propan-2-yl)-1H-pyrazol-5-yl]pyridin-3-yl}methoxy)pyridine-4-carbaldehyde, CARBON MONOXIDE, Hemoglobin subunit alpha, ... | Authors: | Partridge, J.R, Choy, R.M, Li, Z, Metcalf, B. | Deposit date: | 2016-12-02 | Release date: | 2017-02-22 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Discovery of GBT440, an Orally Bioavailable R-State Stabilizer of Sickle Cell Hemoglobin. ACS Med Chem Lett, 8, 2017
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