6EEW
| Crystal structure of Catharanthus roseus tryptophan decarboxylase in complex with L-tryptophan | Descriptor: | Aromatic-L-amino-acid decarboxylase, CALCIUM ION, TRYPTOPHAN | Authors: | Torrens-Spence, M.P, Chiang, Y, Smith, T, Vicent, M.A, Wang, Y, Weng, J.K. | Deposit date: | 2018-08-15 | Release date: | 2018-09-19 | Last modified: | 2020-06-03 | Method: | X-RAY DIFFRACTION (2.05002069 Å) | Cite: | Structural basis for divergent and convergent evolution of catalytic machineries in plant aromatic amino acid decarboxylase proteins. Proc.Natl.Acad.Sci.USA, 117, 2020
|
|
6O5M
| Tubulin-RB3_SLD-TTL in complex with compound 10bb | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GLYCEROL, ... | Authors: | Kumar, G, Wang, Y, Li, W, White, S.W. | Deposit date: | 2019-03-04 | Release date: | 2019-07-10 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure-Guided Design, Synthesis, and Biological Evaluation of (2-(1H-Indol-3-yl)-1H-imidazol-4-yl)(3,4,5-trimethoxyphenyl) Methanone (ABI-231) Analogues Targeting the Colchicine Binding Site in Tubulin. J.Med.Chem., 62, 2019
|
|
6O5N
| Tubulin-RB3_SLD-TTL in complex with compound 10ab | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, ... | Authors: | Kumar, G, Wang, Y, Li, W, White, S.W. | Deposit date: | 2019-03-04 | Release date: | 2019-07-10 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (3.003 Å) | Cite: | Structure-Guided Design, Synthesis, and Biological Evaluation of (2-(1H-Indol-3-yl)-1H-imidazol-4-yl)(3,4,5-trimethoxyphenyl) Methanone (ABI-231) Analogues Targeting the Colchicine Binding Site in Tubulin. J.Med.Chem., 62, 2019
|
|
6O61
| Tubulin-RB3_SLD-TTL in complex with compound ABI-231 | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, ... | Authors: | Kumar, G, Wang, Y, Li, W, White, S.W. | Deposit date: | 2019-03-05 | Release date: | 2019-07-10 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.599 Å) | Cite: | Structure-Guided Design, Synthesis, and Biological Evaluation of (2-(1H-Indol-3-yl)-1H-imidazol-4-yl)(3,4,5-trimethoxyphenyl) Methanone (ABI-231) Analogues Targeting the Colchicine Binding Site in Tubulin. J.Med.Chem., 62, 2019
|
|
7LJC
| Allosteric modulator LY3154207 binding to SKF-81297-bound dopamine receptor 1 in complex with miniGs protein | Descriptor: | (1R)-6-chloro-1-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol, 2-[2,6-bis(chloranyl)phenyl]-1-[(1S,3R)-3-(hydroxymethyl)-1-methyl-5-(3-methyl-3-oxidanyl-butyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone, CHOLESTEROL, ... | Authors: | Zhuang, Y, Krumm, B, Zhang, H, Zhou, X.E, Wang, Y, Guo, J, Huang, X.-P, Liu, Y, Wang, L, Cheng, X, Jiang, Y, Jiang, H, Melcher, K, Zhang, C, Yi, W, Roth, B.L, Zhang, Y, Xu, H.E. | Deposit date: | 2021-01-28 | Release date: | 2021-03-03 | Last modified: | 2021-05-12 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Mechanism of dopamine binding and allosteric modulation of the human D1 dopamine receptor. Cell Res., 31, 2021
|
|
7LJD
| Allosteric modulator LY3154207 binding to dopamine-bound dopamine receptor 1 in complex with miniGs protein | Descriptor: | 2-[2,6-bis(chloranyl)phenyl]-1-[(1S,3R)-3-(hydroxymethyl)-1-methyl-5-(3-methyl-3-oxidanyl-butyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone, CHOLESTEROL, D(1A) dopamine receptor, ... | Authors: | Zhuang, Y, Krumm, B, Zhang, H, Zhou, X.E, Wang, Y, Guo, J, Huang, X.-P, Liu, Y, Wang, L, Cheng, X, Jiang, Y, Jiang, H, Melcher, K, Zhang, C, Yi, W, Roth, B.L, Zhang, Y, Xu, H.E. | Deposit date: | 2021-01-28 | Release date: | 2021-03-03 | Last modified: | 2021-05-12 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Mechanism of dopamine binding and allosteric modulation of the human D1 dopamine receptor. Cell Res., 31, 2021
|
|
6QFM
| Structure of human Mcl-1 in complex with PUMA BH3 peptide | Descriptor: | Bcl-2-binding component 3, CHLORIDE ION, Induced myeloid leukemia cell differentiation protein Mcl-1, ... | Authors: | Dokurno, P, Murray, J, Davidson, J, Chen, I, Davis, B, Graham, C.J, Harris, R, Jordan, A.M, Matassova, N, Pedder, C, Ray, S, Roughley, S, Smith, J, Walmsley, C, Wang, Y, Whitehead, N, Williamson, D.S, Casara, P, Le Diguarher, T, Hickman, J, Stark, J, Kotschy, A, Geneste, O, Hubbard, R.E. | Deposit date: | 2019-01-10 | Release date: | 2019-06-12 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Establishing Drug Discovery and Identification of Hit Series for the Anti-apoptotic Proteins, Bcl-2 and Mcl-1. Acs Omega, 4, 2019
|
|
6QGH
| Structure of human Bcl-2 in complex with ABT-263 | Descriptor: | 4-(4-{[2-(4-chlorophenyl)-5,5-dimethylcyclohex-1-en-1-yl]methyl}piperazin-1-yl)-N-[(4-{[(2R)-4-(morpholin-4-yl)-1-(phenylsulfanyl)butan-2-yl]amino}-3-[(trifluoromethyl)sulfonyl]phenyl)sulfonyl]benzamide, Apoptosis regulator Bcl-2,Bcl-2-like protein 1,Apoptosis regulator Bcl-2,Bcl-2-like protein 1 | Authors: | Dokurno, P, Murray, J, Davidson, J, Chen, I, Davis, B, Graham, C.J, Harris, R, Jordan, A.M, Matassova, N, Pedder, C, Ray, S, Roughley, S, Smith, J, Walmsley, C, Wang, Y, Whitehead, N, Williamson, D.S, Casara, P, Le Diguarher, T, Hickman, J, Stark, J, Kotschy, A, Geneste, O, Hubbard, R.E. | Deposit date: | 2019-01-11 | Release date: | 2019-06-12 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Establishing Drug Discovery and Identification of Hit Series for the Anti-apoptotic Proteins, Bcl-2 and Mcl-1. Acs Omega, 4, 2019
|
|
6QGJ
| Structure of human Bcl-2 in complex with fragment/ABT-263 hybrid | Descriptor: | 4-[4-[(1~{R})-1-(6-methoxy-1,3-benzodioxol-5-yl)-2-pyrrolidin-1-yl-ethyl]phenyl]-~{N}-[4-[[(2~{R})-4-morpholin-4-yl-1-phenylsulfanyl-butan-2-yl]amino]-3-(trifluoromethylsulfonyl)phenyl]sulfonyl-benzamide, Apoptosis regulator Bcl-2,Bcl-2-like protein 1,Apoptosis regulator Bcl-2,Bcl-2-like protein 1 | Authors: | Dokurno, P, Murray, J, Davidson, J, Chen, I, Davis, B, Graham, C.J, Harris, R, Jordan, A.M, Matassova, N, Pedder, C, Ray, S, Roughley, S, Smith, J, Walmsley, C, Wang, Y, Whitehead, N, Williamson, D.S, Casara, P, Le Diguarher, T, Hickman, J, Stark, J, Kotschy, A, Geneste, O, Hubbard, R.E. | Deposit date: | 2019-01-11 | Release date: | 2019-06-12 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Establishing Drug Discovery and Identification of Hit Series for the Anti-apoptotic Proteins, Bcl-2 and Mcl-1. Acs Omega, 4, 2019
|
|
3NCO
| Crystal structure of FnCel5A from F. nodosum Rt17-B1 | Descriptor: | Endoglucanase FnCel5A, PHOSPHATE ION, peptide (ALA)(ASN)(GLU), ... | Authors: | Zheng, B.S, Yang, W, Wang, Y, Lou, Z.Y, Rao, Z.H, Feng, Y. | Deposit date: | 2010-06-05 | Release date: | 2011-06-22 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Crystal structure of FnCel5A from F. nodosum Rt17-B1 To be Published
|
|
7JVQ
| Cryo-EM structure of apomorphine-bound dopamine receptor 1 in complex with Gs protein | Descriptor: | (6aR)-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-10,11-diol, CHOLESTEROL, D(1A) dopamine receptor, ... | Authors: | Zhuang, Y, Xu, P, Mao, C, Wang, L, Krumm, B, Zhou, X.E, Huang, S, Liu, H, Cheng, X, Huang, X.-P, Sheng, D.-D, Xu, T, Liu, Y.-F, Wang, Y, Guo, J, Jiang, Y, Jiang, H, Melcher, K, Roth, B.L, Zhang, Y, Zhang, C, Xu, H.E. | Deposit date: | 2020-08-22 | Release date: | 2021-02-24 | Last modified: | 2021-03-03 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Structural insights into the human D1 and D2 dopamine receptor signaling complexes. Cell, 184, 2021
|
|
7JVP
| Cryo-EM structure of SKF-83959-bound dopamine receptor 1 in complex with Gs protein | Descriptor: | (1R)-6-chloro-3-methyl-1-(3-methylphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol, CHOLESTEROL, D(1A) dopamine receptor, ... | Authors: | Zhuang, Y, Xu, P, Mao, C, Wang, L, Krumm, B, Zhou, X.E, Huang, S, Liu, H, Cheng, X, Huang, X.-P, Sheng, D.-D, Xu, T, Liu, Y.-F, Wang, Y, Guo, J, Jiang, Y, Jiang, H, Melcher, K, Roth, B.L, Zhang, Y, Zhang, C, Xu, H.E. | Deposit date: | 2020-08-22 | Release date: | 2021-02-24 | Last modified: | 2021-03-03 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Structural insights into the human D1 and D2 dopamine receptor signaling complexes. Cell, 184, 2021
|
|
7JV5
| Cryo-EM structure of SKF-81297-bound dopamine receptor 1 in complex with Gs protein | Descriptor: | (1R)-6-chloro-1-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol, CHOLESTEROL, D(1A) dopamine receptor, ... | Authors: | Zhuang, Y, Xu, P, Mao, C, Wang, L, Krumm, B, Zhou, X.E, Huang, S, Liu, H, Cheng, X, Huang, X.-P, Sheng, D.-D, Xu, T, Liu, Y.-F, Wang, Y, Guo, J, Jiang, Y, Jiang, H, Melcher, K, Roth, B.L, Zhang, Y, Zhang, C, Xu, H.E. | Deposit date: | 2020-08-20 | Release date: | 2021-02-24 | Last modified: | 2021-03-03 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Structural insights into the human D1 and D2 dopamine receptor signaling complexes. Cell, 184, 2021
|
|
7JVR
| Cryo-EM structure of Bromocriptine-bound dopamine receptor 2 in complex with Gi protein | Descriptor: | Antibody fragment ScFv16, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | Authors: | Zhuang, Y, Xu, P, Mao, C, Wang, L, Krumm, B, Zhou, X.E, Huang, S, Liu, H, Cheng, X, Huang, X.-P, Sheng, D.-D, Xu, T, Liu, Y.-F, Wang, Y, Guo, J, Jiang, Y, Jiang, H, Melcher, K, Roth, B.L, Zhang, Y, Zhang, C, Xu, H.E. | Deposit date: | 2020-08-22 | Release date: | 2021-02-24 | Last modified: | 2021-03-31 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | Structural insights into the human D1 and D2 dopamine receptor signaling complexes. Cell, 184, 2021
|
|
6QFI
| Structure of human Mcl-1 in complex with BIM BH3 peptide | Descriptor: | Bcl-2-like protein 11, Induced myeloid leukemia cell differentiation protein Mcl-1, ZINC ION | Authors: | Dokurno, P, Murray, J, Davidson, J, Chen, I, Davis, B, Graham, C.J, Harris, R, Jordan, A.M, Matassova, N, Pedder, C, Ray, S, Roughley, S, Smith, J, Walmsley, C, Wang, Y, Whitehead, N, Williamson, D.S, Casara, P, Le Diguarher, T, Hickman, J, Stark, J, Kotschy, A, Geneste, O, Hubbard, R.E. | Deposit date: | 2019-01-10 | Release date: | 2019-06-12 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Establishing Drug Discovery and Identification of Hit Series for the Anti-apoptotic Proteins, Bcl-2 and Mcl-1. Acs Omega, 4, 2019
|
|
6QFQ
| Structure of human Mcl-1 in complex with indole acid inhibitor | Descriptor: | 7-(3,5-dimethyl-1~{H}-pyrazol-4-yl)-3-(3-naphthalen-1-yloxypropyl)-1~{H}-indole-2-carboxylic acid, Induced myeloid leukemia cell differentiation protein Mcl-1 | Authors: | Dokurno, P, Murray, J, Davidson, J, Chen, I, Davis, B, Graham, C.J, Harris, R, Jordan, A.M, Matassova, N, Pedder, C, Ray, S, Roughley, S, Smith, J, Walmsley, C, Wang, Y, Whitehead, N, Williamson, D.S, Casara, P, Le Diguarher, T, Hickman, J, Stark, J, Kotschy, A, Geneste, O, Hubbard, R.E. | Deposit date: | 2019-01-10 | Release date: | 2019-06-12 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Establishing Drug Discovery and Identification of Hit Series for the Anti-apoptotic Proteins, Bcl-2 and Mcl-1. Acs Omega, 4, 2019
|
|
6QG8
| Structure of human Bcl-2 in complex with PUMA BH3 peptide | Descriptor: | Apoptosis regulator Bcl-2,Bcl-2-like protein 1,Apoptosis regulator Bcl-2,Bcl-2-like protein 1, Bcl-2-binding component 3 | Authors: | Dokurno, P, Murray, J, Davidson, J, Chen, I, Davis, B, Graham, C.J, Harris, R, Jordan, A.M, Matassova, N, Pedder, C, Ray, S, Roughley, S, Smith, J, Walmsley, C, Wang, Y, Whitehead, N, Williamson, D.S, Casara, P, Le Diguarher, T, Hickman, J, Stark, J, Kotschy, A, Geneste, O, Hubbard, R.E. | Deposit date: | 2019-01-10 | Release date: | 2019-06-12 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Establishing Drug Discovery and Identification of Hit Series for the Anti-apoptotic Proteins, Bcl-2 and Mcl-1. Acs Omega, 4, 2019
|
|
6QGD
| Structure of human Mcl-1 in complex with thienopyrimidine inhibitor | Descriptor: | 2-[(6-ethyl-5-phenyl-thieno[2,3-d]pyrimidin-4-yl)amino]-3-oxidanyl-propanoic acid, Maltose-binding periplasmic protein,Induced myeloid leukemia cell differentiation protein Mcl-1, SODIUM ION, ... | Authors: | Dokurno, P, Murray, J, Davidson, J, Chen, I, Davis, B, Graham, C.J, Harris, R, Jordan, A.M, Matassova, N, Pedder, C, Ray, S, Roughley, S, Smith, J, Walmsley, C, Wang, Y, Whitehead, N, Williamson, D.S, Casara, P, Le Diguarher, T, Hickman, J, Stark, J, Kotschy, A, Geneste, O, Hubbard, R.E. | Deposit date: | 2019-01-11 | Release date: | 2019-06-12 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Establishing Drug Discovery and Identification of Hit Series for the Anti-apoptotic Proteins, Bcl-2 and Mcl-1. Acs Omega, 4, 2019
|
|
6QGG
| Structure of human Bcl-2 in complex with analogue of ABT-737 | Descriptor: | Apoptosis regulator Bcl-2,Bcl-2-like protein 1,Apoptosis regulator Bcl-2,Bcl-2-like protein 1, [(3~{R})-3-[[4-[[4-[4-[[2-(4-chlorophenyl)phenyl]methyl]piperazin-1-yl]phenyl]carbonylsulfamoyl]-2-nitro-phenyl]amino]-4-phenylsulfanyl-butyl]-(2-hydroxy-2-oxoethyl)-dimethyl-azanium | Authors: | Dokurno, P, Murray, J, Davidson, J, Chen, I, Davis, B, Graham, C.J, Harris, R, Jordan, A.M, Matassova, N, Pedder, C, Ray, S, Roughley, S, Smith, J, Walmsley, C, Wang, Y, Whitehead, N, Williamson, D.S, Casara, P, Le Diguarher, T, Hickman, J, Stark, J, Kotschy, A, Geneste, O, Hubbard, R.E. | Deposit date: | 2019-01-11 | Release date: | 2019-06-12 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Establishing Drug Discovery and Identification of Hit Series for the Anti-apoptotic Proteins, Bcl-2 and Mcl-1. Acs Omega, 4, 2019
|
|
7VP8
| Crystal structure of ferritin from Ureaplasma urealyticum | Descriptor: | CHLORIDE ION, FE (III) ION, Ferritin-like diiron domain-containing protein | Authors: | Wang, W, Liu, X, Wang, Y, Fu, D, Wang, H. | Deposit date: | 2021-10-15 | Release date: | 2022-08-24 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.002 Å) | Cite: | Distinct structural characteristics define a new subfamily of Mycoplasma ferritin Chin.Chem.Lett., 33, 2022
|
|
6O1N
| Cryo-EM structure of TRPV5 (1-660) in nanodisc | Descriptor: | Transient receptor potential cation channel subfamily V member 5 | Authors: | Dang, S, van Goor, M.K, Asarnow, D, Wang, Y, Julius, D, Cheng, Y, van der Wijst, J. | Deposit date: | 2019-02-21 | Release date: | 2019-04-24 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Structural insight into TRPV5 channel function and modulation. Proc.Natl.Acad.Sci.USA, 116, 2019
|
|
6O1U
| Cryo-EM structure of TRPV5 W583A in nanodisc | Descriptor: | Transient receptor potential cation channel subfamily V member 5 | Authors: | Dang, S, van Goor, M.K, Asarnow, D, Wang, Y, Julius, D, Cheng, Y, van der Wijst, J. | Deposit date: | 2019-02-21 | Release date: | 2019-04-24 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | Structural insight into TRPV5 channel function and modulation. Proc.Natl.Acad.Sci.USA, 116, 2019
|
|
6O1P
| Cryo-EM structure of full length TRPV5 in nanodisc | Descriptor: | Transient receptor potential cation channel subfamily V member 5 | Authors: | Dang, S, van Goor, M.K, Asarnow, D, Wang, Y, Julius, D, Cheng, Y, van der Wijst, J. | Deposit date: | 2019-02-21 | Release date: | 2019-04-24 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Structural insight into TRPV5 channel function and modulation. Proc.Natl.Acad.Sci.USA, 116, 2019
|
|
1R7J
| Crystal structure of the DNA-binding protein Sso10a from Sulfolobus solfataricus | Descriptor: | Conserved hypothetical protein Sso10a | Authors: | Chen, L, Chen, L.R, Zhou, X.E, Wang, Y, Kahsai, M.A, Clark, A.T, Edmondson, S.P, Liu, Z.-J, Rose, J.P, Wang, B.C, Shriver, J.W, Meehan, E.J, Southeast Collaboratory for Structural Genomics (SECSG) | Deposit date: | 2003-10-21 | Release date: | 2004-07-20 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.47 Å) | Cite: | The hyperthermophile protein Sso10a is a dimer of winged helix DNA-binding domains linked by an antiparallel coiled coil rod. J.Mol.Biol., 341, 2004
|
|
5HOT
| Structural Basis for Inhibitor-Induced Aggregation of HIV-1 Integrase | Descriptor: | (2S)-tert-butoxy[4-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-2-methyl-1-oxo-1,2-dihydroisoquinolin-3-yl]ethanoic acid, Integrase | Authors: | Gupta, K, Turkki, V, Sherrill-Mix, S, Hwang, Y, Eilers, G, Taylor, L, McDanal, C, Wang, P, Temelkoff, D, Nolte, R, Velthuisen, E, Jeffrey, J, Van Duyne, G.D, Bushman, F.D. | Deposit date: | 2016-01-19 | Release date: | 2016-12-14 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (4.4 Å) | Cite: | Structural Basis for Inhibitor-Induced Aggregation of HIV Integrase. PLoS Biol., 14, 2016
|
|