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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2HMV
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2HMU
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2HMW
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2HMT
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2HMS
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4UUY
 | | Structural Identification of the Vps18 beta-propeller reveals a critical role in the HOPS complex stability and function. | | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, SULFATE ION, ... | | Authors: | Behrmann, H, Gohlke, U, Heinemann, U. | | Deposit date: | 2014-08-01 | | Release date: | 2014-10-29 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.14 Å) | | Cite: | Structural Identification of the Vps18 Beta-Propeller Reveals a Critical Role in the Hops Complex Stability and Function.
J.Biol.Chem., 289, 2014
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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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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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4WMW
 | | The structure of MBP-MCL1 bound to ligand 5 at 1.9A | | Descriptor: | 1,2-ETHANEDIOL, 2-hydroxy-5-(methylsulfanyl)benzoic acid, FORMIC ACID, ... | | Authors: | Clifton, M.C, Dranow, D.M. | | Deposit date: | 2014-10-09 | | Release date: | 2015-05-06 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | A Maltose-Binding Protein Fusion Construct Yields a Robust Crystallography Platform for MCL1.
Plos One, 10, 2015
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4WMS
 | | STRUCTURE OF APO MBP-MCL1 AT 1.9A | | Descriptor: | 1,2-ETHANEDIOL, FORMIC ACID, MAGNESIUM ION, ... | | Authors: | Clifton, M.C, Dranow, D.M. | | Deposit date: | 2014-10-09 | | Release date: | 2015-05-06 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | A Maltose-Binding Protein Fusion Construct Yields a Robust Crystallography Platform for MCL1.
Plos One, 10, 2015
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4WMR
 | | STRUCTURE OF MCL1 BOUND TO BRD inhibitor ligand 1 AT 1.7A | | Descriptor: | 7-[2-(1H-imidazol-1-yl)-4-methylpyridin-3-yl]-3-[3-(naphthalen-1-yloxy)propyl]-1-[2-oxo-2-(piperazin-1-yl)ethyl]-1H-indole-2-carboxylic acid, Induced myeloid leukemia cell differentiation protein Mcl-1, PYROPHOSPHATE 2-, ... | | Authors: | CLIFTON, M.C, EDWARDS, T.E. | | Deposit date: | 2014-10-09 | | Release date: | 2015-05-06 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | A Maltose-Binding Protein Fusion Construct Yields a Robust Crystallography Platform for MCL1.
Plos One, 10, 2015
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4WMX
 | | The structure of MBP-MCL1 bound to ligand 6 at 2.0A | | Descriptor: | 4-ethenyl-2-[(phenylsulfonyl)amino]benzoic acid, FORMIC ACID, MAGNESIUM ION, ... | | Authors: | Clifton, M.C, Dranow, D.M. | | Deposit date: | 2014-10-09 | | Release date: | 2015-05-06 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | A Maltose-Binding Protein Fusion Construct Yields a Robust Crystallography Platform for MCL1.
Plos One, 10, 2015
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4WMT
 | | STRUCTURE OF MBP-MCL1 BOUND TO ligand 1 AT 2.35A | | Descriptor: | 1,2-ETHANEDIOL, 7-[2-(1H-imidazol-1-yl)-4-methylpyridin-3-yl]-3-[3-(naphthalen-1-yloxy)propyl]-1-[2-oxo-2-(piperazin-1-yl)ethyl]-1H-indole-2-carboxylic acid, FORMIC ACID, ... | | Authors: | Clifton, M.C, Dranow, D.M. | | Deposit date: | 2014-10-09 | | Release date: | 2015-05-06 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | A Maltose-Binding Protein Fusion Construct Yields a Robust Crystallography Platform for MCL1.
Plos One, 10, 2015
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4WMU
 | | STRUCTURE OF MBP-MCL1 BOUND TO ligand 2 AT 1.55A | | Descriptor: | 1,2-ETHANEDIOL, 6-chloro-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-1H-indole-2-carboxylic acid, FORMIC ACID, ... | | Authors: | Clifton, M.C, Faiman, J.W. | | Deposit date: | 2014-10-09 | | Release date: | 2015-05-06 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | A Maltose-Binding Protein Fusion Construct Yields a Robust Crystallography Platform for MCL1.
Plos One, 10, 2015
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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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7UR7
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7UR8
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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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