7JGW
| Crystal structure of BCL-XL in complex with COMPOUND 1620116, CRYSTAL FORM 1 | Descriptor: | 6-[(8E)-8-{2-[4-(benzylcarbamoyl)-1,3-thiazol-2-yl]hydrazinylidene}-5,6,7,8-tetrahydronaphthalen-2-yl]-3-(2-phenylethoxy)pyridine-2-carboxylic acid, Bcl-2-like protein 1 | Authors: | Lee, M, Fairlie, W.D, Smith, B.J, Lee, E.F. | Deposit date: | 2020-07-19 | Release date: | 2021-02-24 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Optimization of Benzothiazole and Thiazole Hydrazones as Inhibitors of Schistosome BCL-2. Acs Infect Dis., 7, 2021
|
|
3IO8
| BimL12F in complex with Bcl-xL | Descriptor: | Bcl-2-like protein 1, Bcl-2-like protein 11, ZINC ION | Authors: | Colman, P.M, Lee, E.F, Fairlie, W.D, Smith, B.J, Czabotar, P.E, Yang, H, Sleebs, B.E, Lessene, G. | Deposit date: | 2009-08-14 | Release date: | 2009-09-01 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Conformational changes in Bcl-2 pro-survival proteins determine their capacity to bind ligands. J.Biol.Chem., 284, 2009
|
|
3IO9
| BimL12Y in complex with Mcl-1 | Descriptor: | Bcl-2-like protein 11, Induced myeloid leukemia cell differentiation protein Mcl-1, ZINC ION | Authors: | Czabotar, P.E, Lee, E.F, Yang, H, Sleebs, B.E, Lessene, G, Colman, P.M, Smith, B.J, Fairlie, W.D. | Deposit date: | 2009-08-14 | Release date: | 2009-09-01 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Conformational changes in Bcl-2 pro-survival proteins determine their capacity to bind ligands. J.Biol.Chem., 284, 2009
|
|
1RK4
| Crystal Structure of a Soluble Dimeric Form of Oxidised CLIC1 | Descriptor: | CHLORIDE INTRACELLULAR CHANNEL PROTEIN 1 | Authors: | Littler, D.R, Harrop, S.J, Fairlie, W.D, Brown, L.J, Pankhurst, G.J, Pankhurst, S, DeMaere, M.Z, Campbell, T.J, Bauskin, A.R, Tonini, R, Mazzanti, M, Breit, S.N, Curmi, P.M. | Deposit date: | 2003-11-20 | Release date: | 2003-12-02 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.792 Å) | Cite: | The Intracellular Chloride Ion Channel Protein CLIC1 Undergoes a Redox-controlled Structural Transition J.Biol.Chem., 279, 2004
|
|
2ROD
| Solution Structure of MCL-1 Complexed with NoxaA | Descriptor: | Induced myeloid leukemia cell differentiation protein Mcl-1 homolog, Noxa | Authors: | Day, C.L, Smits, C, Fan, F.C, Lee, E.F, Fairlie, W.D, Hinds, M.G. | Deposit date: | 2008-03-17 | Release date: | 2008-07-08 | Last modified: | 2022-03-16 | Method: | SOLUTION NMR | Cite: | Structure of the BH3 Domains from the p53-Inducible BH3-Only Proteins Noxa and Puma in Complex with Mcl-1 J.Mol.Biol., 380, 2008
|
|
2ROC
| Solution structure of Mcl-1 Complexed with Puma | Descriptor: | Bcl-2-binding component 3, Induced myeloid leukemia cell differentiation protein Mcl-1 homolog | Authors: | Day, C.L, Smits, C, Fan, F.C, Lee, E.F, Fairlie, W.D, Hinds, M.G. | Deposit date: | 2008-03-17 | Release date: | 2008-07-08 | Last modified: | 2021-11-10 | Method: | SOLUTION NMR | Cite: | Structure of the BH3 Domains from the p53-Inducible BH3-Only Proteins Noxa and Puma in Complex with Mcl-1 J.Mol.Biol., 380, 2008
|
|
4A1U
| Crystal structure of alpha-beta-foldamer 2c in complex with Bcl-xL | Descriptor: | ALPHA-BETA-FOLDAMER 2C, BCL-2-LIKE PROTEIN 1, CHLORIDE ION, ... | Authors: | Boersma, M.D, Haase, H.S, Kaufman, K.J, Horne, W.S, Lee, E.F, Clarke, O.B, Smith, B.J, Colman, P.M, Gellman, S.H, Fairlie, W.D. | Deposit date: | 2011-09-20 | Release date: | 2011-12-28 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | Evaluation of Diverse Alpha/Beta-Backbone Patterns for Functional Alpha-Helix Mimicry: Analogues of the Bim Bh3 Domain. J.Am.Chem.Soc., 134, 2012
|
|
4A1W
| Crystal structure of alpha-beta foldamer 4c in complex with Bcl-xL | Descriptor: | ALPHA-BETA-FOLDAMER 2C, BCL-2-LIKE PROTEIN 1 | Authors: | Boersma, M.D, Haase, H.S, Kaufman, K.J, Horne, W.S, Lee, E.F, Clarke, O.B, Smith, B.J, Colman, P.M, Gellman, S.H, Fairlie, W.D. | Deposit date: | 2011-09-20 | Release date: | 2011-12-28 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.497 Å) | Cite: | Evaluation of Diverse Alpha/Beta-Backbone Patterns for Functional Alpha-Helix Mimicry: Analogues of the Bim Bh3 Domain. J.Am.Chem.Soc., 134, 2012
|
|
4BPJ
| Mcl-1 bound to alpha beta Puma BH3 peptide 3 | Descriptor: | ALPHA BETA BH3-PEPTIDE, CHLORIDE ION, FUSION PROTEIN CONSISTING OF INDUCED MYELOID LEUKEMIA CELL DIFFERENTIATION PROTEIN MCL-1 HOMOLOG, ... | Authors: | Smith, B.J, Lee, E.F, Checco, J.W, Gellman, S.H, Fairlie, W.D. | Deposit date: | 2013-05-27 | Release date: | 2014-04-09 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.599 Å) | Cite: | Structure-Guided Rational Design of Alpha/Beta-Peptide Foldamers with High Affinity for Bcl-2 Family Prosurvival Proteins. Chembiochem, 14, 2013
|
|
4BPI
| Mcl-1 bound to alpha beta Puma BH3 peptide 2 | Descriptor: | ALPHA BETA BH3PEPTIDE, CADMIUM ION, FUSION PROTEIN CONSISTING OF INDUCED MYELOID LEUKEMIA CELL DIFFERENTIATION PROTEIN MCL-1 HOMOLOG | Authors: | Smith, B.J, Lee, E.F, Checco, J.W, Gellman, S.H, Fairlie, W.D. | Deposit date: | 2013-05-27 | Release date: | 2014-04-09 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.982 Å) | Cite: | Structure-Guided Rational Design of Alpha/Beta-Peptide Foldamers with High Affinity for Bcl-2 Family Prosurvival Proteins. Chembiochem, 14, 2013
|
|
4BPK
| Bcl-xL bound to alpha beta Puma BH3 peptide 5 | Descriptor: | 1,2-ETHANEDIOL, ALPHA BETA BH3-PEPTIDE, BCL-2-LIKE PROTEIN 1, ... | Authors: | Smith, B.J, Lee, E.F, Checco, J.W, Gellman, S.H, Fairlie, W.D. | Deposit date: | 2013-05-27 | Release date: | 2014-04-09 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.756 Å) | Cite: | Structure-Guided Rational Design of Alpha/Beta-Peptide Foldamers with High Affinity for Bcl-2 Family Prosurvival Proteins. Chembiochem, 14, 2013
|
|
4CIN
| Complex of Bcl-xL with its BH3 domain | Descriptor: | 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, BCL-2-LIKE PROTEIN 1, ... | Authors: | Colman, P.M, Lee, E.F, Fairlie, W.D. | Deposit date: | 2013-12-12 | Release date: | 2014-11-12 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.693 Å) | Cite: | The Functional Differences of Pro-Survival and Pro-Apoptotic B Cell Lymphoma 2 (Bcl-2) Proteins Depend on Structural Differences in Their Bcl-2 Homology 3 (Bh3) Domains J.Biol.Chem., 289, 2014
|
|
4CIM
| Complex of a Bcl-w BH3 mutant with a BH3 domain | Descriptor: | 1,2-ETHANEDIOL, BCL-2-LIKE PROTEIN 2 | Authors: | Colman, P.M, Lee, E.F, Fairlie, W.D. | Deposit date: | 2013-12-12 | Release date: | 2014-11-12 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | The Functional Differences of Pro-Survival and Pro-Apoptotic B Cell Lymphoma 2 (Bcl-2) Proteins Depend on Structural Differences in Their Bcl-2 Homology 3 (Bh3) Domains J.Biol.Chem., 289, 2014
|
|
5VAX
| |
5VAY
| |
5JSN
| Bcl2-inhibitor complex | Descriptor: | Apoptosis regulator Bcl-2, Bcl2 inhibitor | Authors: | Shen, B.W, Stoddard, B.L. | Deposit date: | 2016-05-09 | Release date: | 2016-11-16 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Computationally designed high specificity inhibitors delineate the roles of BCL2 family proteins in cancer. Elife, 5, 2016
|
|
5JSB
| Crystal structure of Mcl1-inhibitor complex | Descriptor: | Induced myeloid leukemia cell differentiation protein Mcl-1, Mcl-1 inhibitor | Authors: | Shen, B.W, Stoddard, B.L. | Deposit date: | 2016-05-07 | Release date: | 2016-11-16 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.74 Å) | Cite: | Computationally designed high specificity inhibitors delineate the roles of BCL2 family proteins in cancer. Elife, 5, 2016
|
|
6MCY
| Crystal structure of mouse Bak | Descriptor: | 1,2-ETHANEDIOL, Bcl-2 homologous antagonist/killer, FORMIC ACID | Authors: | Brouwer, J.M, Czabotar, P.E, Colman, P.M. | Deposit date: | 2018-09-03 | Release date: | 2019-09-11 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.748 Å) | Cite: | A small molecule interacts with VDAC2 to block mouse BAK-driven apoptosis. Nat.Chem.Biol., 15, 2019
|
|
8RIV
| T2R-TTL-1-K08 complex | Descriptor: | (4-fluoranyl-2-methyl-1~{H}-indol-5-yl) 3,4,5-trimethoxybenzenesulfonate, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ... | Authors: | Boiarska, Z, Homer, J.A, Steinmetz, M.O, Moses, J.E, Prota, A.E.P. | Deposit date: | 2023-12-19 | Release date: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.78 Å) | Cite: | Modular synthesis of functional libraries by accelerated SuFEx click chemistry. Chem Sci, 15, 2024
|
|
8RIW
| T2R-TTL-1-L01 complex | Descriptor: | (2-methyl-1~{H}-indol-5-yl) 3,4,5-trimethoxybenzenesulfonate, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ... | Authors: | Prota, A.E.P, Boiarska, Z, Homer, J.A, Steinmetz, M.O, Moses, J.E. | Deposit date: | 2023-12-19 | Release date: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.57 Å) | Cite: | Modular synthesis of functional libraries by accelerated SuFEx click chemistry. Chem Sci, 15, 2024
|
|
3PL7
| |
3PK1
| Crystal structure of Mcl-1 in complex with the BaxBH3 domain | Descriptor: | Apoptosis regulator BAX, CADMIUM ION, Induced myeloid leukemia cell differentiation protein Mcl-1 | Authors: | Czabotar, P.E, Colman, P.M. | Deposit date: | 2010-11-11 | Release date: | 2010-12-29 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.486 Å) | Cite: | Mutation to Bax beyond the BH3 domain disrupts interactions with pro-survival proteins and promotes apoptosis J.Biol.Chem., 286, 2011
|
|
3QKD
| Crystal structure of Bcl-xL in complex with a Quinazoline sulfonamide inhibitor | Descriptor: | (R)-N-(7-(4-((4'-chlorobiphenyl-2-yl)methyl)piperazin-1-yl)quinazolin-4-yl)-4-(4-(dimethylamino)-1-(phenylthio)butan-2-ylamino)-3-nitrobenzenesulfonamide, Bcl-2-like protein 1, CHLORIDE ION, ... | Authors: | Czabotar, P.E, Smith, B.J. | Deposit date: | 2011-01-31 | Release date: | 2011-04-06 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | Quinazoline sulfonamides as dual binders of the proteins B-cell lymphoma 2 and B-cell lymphoma extra long with potent proapoptotic cell-based activity. J.Med.Chem., 54, 2011
|
|
2WBF
| Crystal Structure Analysis of SERA5E from plasmodium falciparum with loop 690-700 ordered | Descriptor: | CALCIUM ION, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | Authors: | Smith, B.J, Malby, R.L, Colman, P.M, Clarke, O.B. | Deposit date: | 2009-02-27 | Release date: | 2009-03-31 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structural insights into the protease-like antigen Plasmodium falciparum SERA5 and its noncanonical active-site serine. J. Mol. Biol., 392, 2009
|
|
3CH3
| Crystal Structure Analysis of SERA5E from plasmodium falciparum | Descriptor: | DIHYDROGENPHOSPHATE ION, POTASSIUM ION, Serine-repeat antigen protein | Authors: | Smith, B.J, Malby, R.L, Colman, P.M, Clarke, O.B. | Deposit date: | 2008-03-07 | Release date: | 2008-03-25 | Last modified: | 2017-10-25 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Structural Insights into the Protease-like Antigen Plasmodium falciparum SERA5 and Its Noncanonical Active-Site Serine J.Mol.Biol., 392, 2009
|
|