7C7Q
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![BU of 7c7q by Molmil](/molmil-images/mine/7c7q) | Cryo-EM structure of the baclofen/BHFF-bound human GABA(B) receptor in active state | Descriptor: | (3S)-5,7-ditert-butyl-3-oxidanyl-3-(trifluoromethyl)-1-benzofuran-2-one, 2-acetamido-2-deoxy-beta-D-glucopyranose, Gamma-aminobutyric acid type B receptor subunit 1, ... | Authors: | Mao, C, Shen, C, Li, C, Shen, D, Xu, C, Zhang, S, Zhou, R, Shen, Q, Chen, L, Jiang, Z, Liu, J, Zhang, Y. | Deposit date: | 2020-05-26 | Release date: | 2020-07-01 | Last modified: | 2020-07-29 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Cryo-EM structures of inactive and active GABABreceptor. Cell Res., 30, 2020
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7C7K
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![BU of 7c7k by Molmil](/molmil-images/mine/7c7k) | Crystal Structure of Thioacyl-Glyceraldehyde-3-phosphate dehydrogenase 1(GAPDH 1) from Escherichia coli at 1.77 Angstrom resolution | Descriptor: | 1,2-ETHANEDIOL, ACETONE, DI(HYDROXYETHYL)ETHER, ... | Authors: | Zhang, L, Liu, M.R, Bao, L.Y, Yao, Y.C, Bostrom, I.K, Wang, Y.D, Chen, A.Q, Li, J.X, Gu, S.H, Ji, C.N. | Deposit date: | 2020-05-26 | Release date: | 2021-05-26 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | Novel Structures of Type 1 Glyceraldehyde-3-phosphate Dehydrogenase from Escherichia coli Provide New Insights into the Mechanism of Generation of 1,3-Bisphosphoglyceric Acid. Biomolecules, 11, 2021
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6X5P
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![BU of 6x5p by Molmil](/molmil-images/mine/6x5p) | Discovery of Hydroxy Pyrimidine Factor IXa Inhibitors | Descriptor: | 3-chloro-4-{[5-hydroxy-6-(4-methylphenyl)pyrimidin-4-yl]amino}benzene-1-carboximidamide, CITRIC ACID, Coagulation factor IX, ... | Authors: | Jayne, C.L, Andreani, T, Chan, T, Chelliah, M.V, Clasby, M.C, Dwyer, M, Eagen, K.A, Fried, S, Greenlee, W.J, Guo, Z, Hawes, B, Hruza, A, Ingram, R, Keertikar, K.M, Neelamkavil, S, Reichert, P, Xia, Y, Chackalamannil, S. | Deposit date: | 2020-05-26 | Release date: | 2020-06-24 | Method: | X-RAY DIFFRACTION (1.997 Å) | Cite: | Discovery of hydroxy pyrimidine Factor IXa inhibitors. Bioorg.Med.Chem.Lett., 30, 2020
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6Z4X
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![BU of 6z4x by Molmil](/molmil-images/mine/6z4x) | Structure of the CAK complex form Chaetomium thermophilum bound to ATP-gamma-S | Descriptor: | CHLORIDE ION, CYCLIN domain-containing protein, MAGNESIUM ION, ... | Authors: | Peissert, S, Kuper, J, Kisker, C. | Deposit date: | 2020-05-26 | Release date: | 2020-12-09 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.98 Å) | Cite: | Structural basis for CDK7 activation by MAT1 and Cyclin H. Proc.Natl.Acad.Sci.USA, 117, 2020
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6Z4W
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![BU of 6z4w by Molmil](/molmil-images/mine/6z4w) | FtsE structure from Streptococcus pneumoniae in complex with ADP (space group P 1) | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Cell division ATP-binding protein FtsE | Authors: | Alcorlo, M, Straume, D, Hermoso, J.A, Havarstein, L.S. | Deposit date: | 2020-05-26 | Release date: | 2020-09-02 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.36 Å) | Cite: | Structural Characterization of the Essential Cell Division Protein FtsE and Its Interaction with FtsX in Streptococcus pneumoniae. Mbio, 11, 2020
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6Z54
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![BU of 6z54 by Molmil](/molmil-images/mine/6z54) | Crystal structure of CLK3 in complex with macrocycle ODS2003178 | Descriptor: | 1,2-ETHANEDIOL, 11,15-Dimethyl-6-(oxan-4-yloxy)-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23),3(25),4,6,17,20(24),21-heptaen-10-one, Dual specificity protein kinase CLK3, ... | Authors: | Chaikuad, A, Benderitter, P, Hoflack, J, Denis, A, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2020-05-26 | Release date: | 2020-06-03 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | Crystal structure of CLK3 in complex with macrocycle ODS2003178 To Be Published
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6Z53
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![BU of 6z53 by Molmil](/molmil-images/mine/6z53) | Crystal structure of CLK3 in complex with macrocycle ODS2003128 | Descriptor: | 1,2-ETHANEDIOL, 6-(2-methoxyethoxy)-11,15-dimethyl-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23),3(25),4,6,17,20(24),21-heptaen-10-one, Dual specificity protein kinase CLK3, ... | Authors: | Chaikuad, A, Benderitter, P, Hoflack, J, Denis, A, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2020-05-26 | Release date: | 2020-06-03 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Crystal structure of CLK3 in complex with macrocycle ODS2003128 To Be Published
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7C7S
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![BU of 7c7s by Molmil](/molmil-images/mine/7c7s) | Cryo-EM structure of the CGP54626-bound human GABA(B) receptor in inactive state. | Descriptor: | (R)-(cyclohexylmethyl)[(2S)-3-{[(1S)-1-(3,4-dichlorophenyl)ethyl]amino}-2-hydroxypropyl]phosphinic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, Gamma-aminobutyric acid type B receptor subunit 1, ... | Authors: | Mao, C, Shen, C, Li, C, Shen, D, Xu, C, Zhang, S, Zhou, R, Shen, Q, Chen, L, Jiang, Z, Liu, J, Zhang, Y. | Deposit date: | 2020-05-26 | Release date: | 2020-07-01 | Last modified: | 2020-07-29 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Cryo-EM structures of inactive and active GABABreceptor. Cell Res., 30, 2020
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6Z50
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![BU of 6z50 by Molmil](/molmil-images/mine/6z50) | Crystal structure of CLK1 in complex with macrocycle ODS2003208 | Descriptor: | 1,2-ETHANEDIOL, 11,15-dimethyl-6-(oxan-4-yloxy)-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23),3(25),4,6,17,20(24),21-heptaen-10-one, Dual specificity protein kinase CLK1, ... | Authors: | Chaikuad, A, Benderitter, P, Hoflack, J, Denis, A, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2020-05-26 | Release date: | 2020-06-03 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Crystal structure of CLK1 in complex with macrocycle ODS2003208 To Be Published
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6X5J
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![BU of 6x5j by Molmil](/molmil-images/mine/6x5j) | Discovery of Hydroxy Pyrimidine Factor IXa Inhibitors | Descriptor: | 2-(4-HYDROXY-5-PHENYL-1H-PYRAZOL-3-YL)-1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE, CITRIC ACID, Coagulation factor IX, ... | Authors: | Jayne, C.L, Andreani, T, Chan, T, Chelliah, M.V, Clasby, M.C, Dwyer, M, Eagen, K.A, Fried, S, Greenlee, W.J, Guo, Z, Hawes, B, Hruza, A, Ingram, R, Keertikar, K.M, Neelamkavil, S, Reichert, P, Xia, Y, Chackalamannil, S. | Deposit date: | 2020-05-26 | Release date: | 2020-06-24 | Method: | X-RAY DIFFRACTION (2.513 Å) | Cite: | Discovery of hydroxy pyrimidine Factor IXa inhibitors. Bioorg.Med.Chem.Lett., 30, 2020
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6X5L
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![BU of 6x5l by Molmil](/molmil-images/mine/6x5l) | Discovery of Hydroxy Pyrimidine Factor IXa Inhibitors | Descriptor: | 4-{[5-hydroxy-6-(4-methylphenyl)pyrimidin-4-yl]amino}benzene-1-carboximidamide, CITRIC ACID, Coagulation factor IX, ... | Authors: | Jayne, C.L, Andreani, T, Chan, T, Chelliah, M.V, Clasby, M.C, Dwyer, M, Eagen, K.A, Fried, S, Greenlee, W.J, Guo, Z, Hawes, B, Hruza, A, Ingram, R, Keertikar, K.M, Neelamkavil, S, Reichert, P, Xia, Y, Chackalamannil, S. | Deposit date: | 2020-05-26 | Release date: | 2020-06-24 | Method: | X-RAY DIFFRACTION (2.246 Å) | Cite: | Discovery of hydroxy pyrimidine Factor IXa inhibitors. Bioorg.Med.Chem.Lett., 30, 2020
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6Z4T
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![BU of 6z4t by Molmil](/molmil-images/mine/6z4t) | |
6Z4R
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![BU of 6z4r by Molmil](/molmil-images/mine/6z4r) | |
6Z4G
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![BU of 6z4g by Molmil](/molmil-images/mine/6z4g) | |
6X5B
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![BU of 6x5b by Molmil](/molmil-images/mine/6x5b) | Symmetric model of CD4- and 17-bound B41 HIV-1 Env SOSIP in complex with small molecule GO52 | Descriptor: | 17b Fab heavy chain, 17b Fab light chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Ozorowski, G, Torres, J.L, Ward, A.B. | Deposit date: | 2020-05-25 | Release date: | 2020-10-21 | Last modified: | 2020-12-09 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | A Strain-Specific Inhibitor of Receptor-Bound HIV-1 Targets a Pocket near the Fusion Peptide. Cell Rep, 33, 2020
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6Z4C
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![BU of 6z4c by Molmil](/molmil-images/mine/6z4c) | The structure of the N-terminal domain of RssB from E. coli | Descriptor: | Regulator of RpoS | Authors: | Zeth, K, Dimce, M, Terrence, D.M, Schuenemann, V, Dougan, D. | Deposit date: | 2020-05-25 | Release date: | 2020-07-29 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Insight into the RssB-Mediated Recognition and Delivery of sigma s to the AAA+ Protease, ClpXP. Biomolecules, 10, 2020
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6Z4I
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![BU of 6z4i by Molmil](/molmil-images/mine/6z4i) | |
6Z4O
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![BU of 6z4o by Molmil](/molmil-images/mine/6z4o) | |
6Z4Q
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![BU of 6z4q by Molmil](/molmil-images/mine/6z4q) | Crystal structure of the neurotensin receptor 1 in complex with the small-molecule inverse agonist SR142948A | Descriptor: | 2-[[5-(2,6-dimethoxyphenyl)-1-[4-[3-(dimethylamino)propyl-methyl-carbamoyl]-2-propan-2-yl-phenyl]pyrazol-3-yl]carbonylamino]adamantane-2-carboxylic acid, Neurotensin receptor type 1,Neurotensin receptor type 1,DARPin | Authors: | Deluigi, M, Klipp, A, Hilge, M, Merklinger, L, Klenk, C, Plueckthun, A. | Deposit date: | 2020-05-25 | Release date: | 2021-02-10 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.923 Å) | Cite: | Complexes of the neurotensin receptor 1 with small-molecule ligands reveal structural determinants of full, partial, and inverse agonism. Sci Adv, 7, 2021
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6Z4S
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![BU of 6z4s by Molmil](/molmil-images/mine/6z4s) | Crystal structure of the neurotensin receptor 1 (NTSR1-H4bmx) in complex with the small molecule inverse agonist SR48692 | Descriptor: | 2-[[1-(7-chloranylquinolin-4-yl)-5-(2,6-dimethoxyphenyl)pyrazol-3-yl]carbonylamino]adamantane-2-carboxylic acid, Neurotensin receptor type 1,DARPin,HRV 3C protease recognition sequence | Authors: | Deluigi, M, Klipp, A, Hilge, M, Merklinger, L, Klenk, C, Plueckthun, A. | Deposit date: | 2020-05-25 | Release date: | 2021-02-10 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.707 Å) | Cite: | Complexes of the neurotensin receptor 1 with small-molecule ligands reveal structural determinants of full, partial, and inverse agonism. Sci Adv, 7, 2021
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6Z4V
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![BU of 6z4v by Molmil](/molmil-images/mine/6z4v) | Crystal structure of the neurotensin receptor 1 (NTSR1-H4bmx) in complex with NTS8-13 | Descriptor: | ARG-PRO-TYR-ILE-LEU, Neurotensin receptor type 1,Neurotensin receptor type 1,DARPin | Authors: | Deluigi, M, Klipp, A, Hilge, M, Merklinger, L, Klenk, C, Plueckthun, A. | Deposit date: | 2020-05-25 | Release date: | 2021-02-10 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.595 Å) | Cite: | Complexes of the neurotensin receptor 1 with small-molecule ligands reveal structural determinants of full, partial, and inverse agonism. Sci Adv, 7, 2021
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6X5C
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![BU of 6x5c by Molmil](/molmil-images/mine/6x5c) | Asymmetric model of CD4-bound B41 HIV-1 Env SOSIP in complex with small molecule GO52 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein gp160, ... | Authors: | Ozorowski, G, Torres, J.L, Ward, A.B. | Deposit date: | 2020-05-25 | Release date: | 2020-10-21 | Last modified: | 2020-12-09 | Method: | ELECTRON MICROSCOPY (4.04 Å) | Cite: | A Strain-Specific Inhibitor of Receptor-Bound HIV-1 Targets a Pocket near the Fusion Peptide. Cell Rep, 33, 2020
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6Z4K
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![BU of 6z4k by Molmil](/molmil-images/mine/6z4k) | |
6Z4E
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![BU of 6z4e by Molmil](/molmil-images/mine/6z4e) | The structure of the C-terminal domain of RssB from E. coli | Descriptor: | Regulator of RpoS | Authors: | Zeth, K, Dimce, M, Terrence, D.M, Schuenemann, V, Dougan, D. | Deposit date: | 2020-05-25 | Release date: | 2020-07-29 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Insight into the RssB-Mediated Recognition and Delivery of sigma s to the AAA+ Protease, ClpXP. Biomolecules, 10, 2020
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6Z4J
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![BU of 6z4j by Molmil](/molmil-images/mine/6z4j) | |