7YUI
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4N1Z
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![BU of 4n1z by Molmil](/molmil-images/mine/4n1z) | Crystal Structure of Human Farnesyl Diphosphate Synthase in Complex with BPH-1222 | Descriptor: | Farnesyl pyrophosphate synthase, MAGNESIUM ION, PHOSPHATE ION, ... | Authors: | Liu, Y.L, Xia, Y, Zhang, Y, Verma, I, Oldfield, E. | Deposit date: | 2013-10-04 | Release date: | 2014-12-10 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | A combination therapy for KRAS-driven lung adenocarcinomas using lipophilic bisphosphonates and rapamycin. Sci Transl Med, 6, 2014
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7C4U
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![BU of 7c4u by Molmil](/molmil-images/mine/7c4u) | MicroED structure of orthorhombic Vancomycin at 1.2 A resolution | Descriptor: | CHLORIDE ION, Vancomycin, vancosamine-(1-2)-beta-D-glucopyranose | Authors: | Fan, Q, Zhou, H, Li, X, Wang, J. | Deposit date: | 2020-05-18 | Release date: | 2020-08-12 | Last modified: | 2021-03-17 | Method: | ELECTRON CRYSTALLOGRAPHY (1.2 Å) | Cite: | Precise Control Over Kinetics of Molecular Assembly: Production of Particles with Tunable Sizes and Crystalline Forms. Angew.Chem.Int.Ed.Engl., 59, 2020
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7C4V
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![BU of 7c4v by Molmil](/molmil-images/mine/7c4v) | MicroED structure of anorthic Vancomycin at 1.05 A resolution | Descriptor: | CHLORIDE ION, Vancomycin, vancosamine-(1-2)-beta-D-glucopyranose | Authors: | Fan, Q, Zhou, H, Li, X, Wang, J. | Deposit date: | 2020-05-18 | Release date: | 2020-08-12 | Last modified: | 2023-11-29 | Method: | ELECTRON CRYSTALLOGRAPHY (1.05 Å) | Cite: | Precise Control Over Kinetics of Molecular Assembly: Production of Particles with Tunable Sizes and Crystalline Forms. Angew.Chem.Int.Ed.Engl., 59, 2020
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7DWB
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![BU of 7dwb by Molmil](/molmil-images/mine/7dwb) | Human Pannexin1 model | Descriptor: | Pannexin-1 | Authors: | Zhang, S.S, Yang, M.J. | Deposit date: | 2021-01-17 | Release date: | 2021-05-26 | Method: | ELECTRON MICROSCOPY (3.15 Å) | Cite: | Structure of the full-length human Pannexin1 channel and insights into its role in pyroptosis. Cell Discov, 7, 2021
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8UTE
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![BU of 8ute by Molmil](/molmil-images/mine/8ute) | Structure of SARS-Cov2 3CLPro in complex with Compound 27 | Descriptor: | 1,2-ETHANEDIOL, 3C-like proteinase nsp5, methyl {(2S)-1-[(1S,3aR,6aS)-1-{[(2R,3S)-6,6-difluoro-2-hydroxy-1-(methylamino)-1-oxoheptan-3-yl]carbamoyl}hexahydrocyclopenta[c]pyrrol-2(1H)-yl]-3,3-dimethyl-1-oxobutan-2-yl}carbamate | Authors: | Krishnamurthy, H, Zhuang, N, Qiang, D, Wu, Y, Klein, D.J. | Deposit date: | 2023-10-31 | Release date: | 2024-03-06 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Invention of MK-7845, a SARS-CoV-2 3CL Protease Inhibitor Employing a Novel Difluorinated Glutamine Mimic. J.Med.Chem., 67, 2024
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8UPV
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![BU of 8upv by Molmil](/molmil-images/mine/8upv) | Structure of SARS-Cov2 3CLPro in complex with Compound 33 | Descriptor: | 3C-like proteinase nsp5, methyl {(2S)-1-[(1S,3aR,6aS)-1-{[(2R,3S,6R)-6-fluoro-2-hydroxy-1-(methylamino)-1-oxoheptan-3-yl]carbamoyl}hexahydrocyclopenta[c]pyrrol-2(1H)-yl]-3,3-dimethyl-1-oxobutan-2-yl}carbamate | Authors: | Krishnamurthy, H, Zhuang, N, Qiang, D, Wu, Y, Klein, D.J. | Deposit date: | 2023-10-23 | Release date: | 2024-03-06 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.57 Å) | Cite: | Invention of MK-7845, a SARS-CoV-2 3CL Protease Inhibitor Employing a Novel Difluorinated Glutamine Mimic. J.Med.Chem., 67, 2024
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8UPS
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![BU of 8ups by Molmil](/molmil-images/mine/8ups) | Structure of SARS-Cov2 3CLPro in complex with Compound 5 | Descriptor: | (1R,2S,5S)-N-{(2S,3R)-4-amino-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5, PHOSPHATE ION | Authors: | Wu, Y, Qiang, D, Zhuang, N, Krishnamurthy, H, Klein, D.J. | Deposit date: | 2023-10-23 | Release date: | 2024-03-06 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.44 Å) | Cite: | Invention of MK-7845, a SARS-CoV-2 3CL Protease Inhibitor Employing a Novel Difluorinated Glutamine Mimic. J.Med.Chem., 67, 2024
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8UPW
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![BU of 8upw by Molmil](/molmil-images/mine/8upw) | Structure of SARS-Cov2 3CLPro in complex with Compound 34 | Descriptor: | 3C-like proteinase nsp5, methyl {(2S)-1-[(1S,3aR,6aS)-1-{[(2R,3S,6S)-6-fluoro-2-hydroxy-1-(methylamino)-1-oxoheptan-3-yl]carbamoyl}hexahydrocyclopenta[c]pyrrol-2(1H)-yl]-3,3-dimethyl-1-oxobutan-2-yl}carbamate | Authors: | Krishnamurthy, H, Zhuang, N, Qiang, D, Wu, Y, Klein, D.J. | Deposit date: | 2023-10-23 | Release date: | 2024-03-06 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.44 Å) | Cite: | Invention of MK-7845, a SARS-CoV-2 3CL Protease Inhibitor Employing a Novel Difluorinated Glutamine Mimic. J.Med.Chem., 67, 2024
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7E1V
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![BU of 7e1v by Molmil](/molmil-images/mine/7e1v) | Cryo-EM structure of apo hybrid respiratory supercomplex consisting of Mycobacterium tuberculosis complexIII and Mycobacterium smegmatis complexIV | Descriptor: | (2R)-2-(hexadecanoyloxy)-3-{[(S)-hydroxy{[(1R,2R,3R,4R,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}propyl (9S)-9-methyloctadecanoate, (2R)-3-(((2-aminoethoxy)(hydroxy)phosphoryl)oxy)-2-(palmitoyloxy)propyl (E)-octadec-9-enoate, CARDIOLIPIN, ... | Authors: | Zhou, S, Wang, W, Gao, Y, Gong, H, Rao, Z. | Deposit date: | 2021-02-03 | Release date: | 2021-10-13 | Last modified: | 2022-07-27 | Method: | ELECTRON MICROSCOPY (2.68 Å) | Cite: | Structure of Mycobacterium tuberculosis cytochrome bcc in complex with Q203 and TB47, two anti-TB drug candidates. Elife, 10, 2021
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7E1X
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![BU of 7e1x by Molmil](/molmil-images/mine/7e1x) | Cryo-EM structure of hybrid respiratory supercomplex consisting of Mycobacterium tuberculosis complexIII and Mycobacterium smegmatis complexIV in presence of TB47 | Descriptor: | (2R)-2-(hexadecanoyloxy)-3-{[(S)-hydroxy{[(1R,2R,3R,4R,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}propyl (9S)-9-methyloctadecanoate, (2R)-3-(((2-aminoethoxy)(hydroxy)phosphoryl)oxy)-2-(palmitoyloxy)propyl (E)-octadec-9-enoate, 5-methoxy-2-methyl-~{N}-[[4-[4-[4-(trifluoromethyloxy)phenyl]piperidin-1-yl]phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxamide, ... | Authors: | Zhou, S, Wang, W, Gao, Y, Gong, H, Rao, Z. | Deposit date: | 2021-02-03 | Release date: | 2021-10-27 | Last modified: | 2022-07-27 | Method: | ELECTRON MICROSCOPY (2.93 Å) | Cite: | Structure of Mycobacterium tuberculosis cytochrome bcc in complex with Q203 and TB47, two anti-TB drug candidates. Elife, 10, 2021
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7E1W
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![BU of 7e1w by Molmil](/molmil-images/mine/7e1w) | Cryo-EM structure of hybrid respiratory supercomplex consisting of Mycobacterium tuberculosis complexIII and Mycobacterium smegmatis complexIV in the presence of Q203 | Descriptor: | (2R)-2-(hexadecanoyloxy)-3-{[(S)-hydroxy{[(1R,2R,3R,4R,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}propyl (9S)-9-methyloctadecanoate, (2R)-3-(((2-aminoethoxy)(hydroxy)phosphoryl)oxy)-2-(palmitoyloxy)propyl (E)-octadec-9-enoate, 6-chloranyl-2-ethyl-N-[[4-[4-[4-(trifluoromethyloxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide, ... | Authors: | Zhou, S, Wang, W, Gao, Y, Gong, H, Rao, Z. | Deposit date: | 2021-02-03 | Release date: | 2021-10-27 | Last modified: | 2022-07-27 | Method: | ELECTRON MICROSCOPY (2.67 Å) | Cite: | Structure of Mycobacterium tuberculosis cytochrome bcc in complex with Q203 and TB47, two anti-TB drug candidates. Elife, 10, 2021
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7WP1
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![BU of 7wp1 by Molmil](/molmil-images/mine/7wp1) | Cryo-EM structure of SARS-CoV-2 Mu S6P trimer in complex with neutralizing antibody VacW-209 (local refinement) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, VacW-209 heavy chain, ... | Authors: | Zheng, Q, Sun, H, Ju, B, Zhang, Z, Li, S, Xia, N. | Deposit date: | 2022-01-22 | Release date: | 2022-07-13 | Method: | ELECTRON MICROSCOPY (3.77 Å) | Cite: | Immune escape by SARS-CoV-2 Omicron variant and structural basis of its effective neutralization by a broad neutralizing human antibody VacW-209. Cell Res., 32, 2022
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7WP5
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![BU of 7wp5 by Molmil](/molmil-images/mine/7wp5) | Cryo-EM structure of SARS-CoV-2 Omicron S6P trimer in complex with neutralizing antibody VacW-209 (local refinement) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spikeprotein S1, VacW-209 heavy chain, ... | Authors: | Zheng, Q, Sun, H, Ju, B, Zhang, Z, Li, S, Xia, N. | Deposit date: | 2022-01-22 | Release date: | 2022-07-13 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | Immune escape by SARS-CoV-2 Omicron variant and structural basis of its effective neutralization by a broad neutralizing human antibody VacW-209. Cell Res., 32, 2022
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7WON
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![BU of 7won by Molmil](/molmil-images/mine/7won) | Cryo-EM structure of SARS-CoV-2 S2P trimer in complex with neutralizing antibody VacW-209 (local refinement) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, VacW-209 heavy chain, ... | Authors: | Zheng, Q, Sun, H, Ju, B, Zhang, Z, Li, S, Xia, N. | Deposit date: | 2022-01-22 | Release date: | 2022-07-13 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | Immune escape by SARS-CoV-2 Omicron variant and structural basis of its effective neutralization by a broad neutralizing human antibody VacW-209. Cell Res., 32, 2022
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7WP2
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![BU of 7wp2 by Molmil](/molmil-images/mine/7wp2) | Cryo-EM structure of SARS-CoV-2 C.1.2 S6P trimer in complex with neutralizing antibody VacW-209 (local refinement) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, VacW-209 heavy chain, ... | Authors: | Zheng, Q, Sun, H, Ju, B, Zhang, Z, Li, S, Xia, N. | Deposit date: | 2022-01-22 | Release date: | 2022-07-20 | Method: | ELECTRON MICROSCOPY (3.52 Å) | Cite: | Immune escape by SARS-CoV-2 Omicron variant and structural basis of its effective neutralization by a broad neutralizing human antibody VacW-209. Cell Res., 32, 2022
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7WP0
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![BU of 7wp0 by Molmil](/molmil-images/mine/7wp0) | Cryo-EM structure of SARS-CoV-2 Delta S6P trimer in complex with neutralizing antibody VacW-209 (local refinement) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, IG c335_light_IGLV1-40_IGLJ3, Spike protein S1, ... | Authors: | Zheng, Q, Sun, H, Ju, B, Zhang, Z, Li, S, Xia, N. | Deposit date: | 2022-01-22 | Release date: | 2022-07-20 | Method: | ELECTRON MICROSCOPY (3.71 Å) | Cite: | Immune escape by SARS-CoV-2 Omicron variant and structural basis of its effective neutralization by a broad neutralizing human antibody VacW-209. Cell Res., 32, 2022
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5ZBG
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![BU of 5zbg by Molmil](/molmil-images/mine/5zbg) | |
5YX9
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![BU of 5yx9 by Molmil](/molmil-images/mine/5yx9) | |
7CMU
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![BU of 7cmu by Molmil](/molmil-images/mine/7cmu) | Dopamine Receptor D3R-Gi-Pramipexole complex | Descriptor: | (6S)-N6-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine, 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: | Xu, P, Huang, S, Mao, C, Krumm, B, Zhou, X, Tan, Y, Huang, X.-P, Liu, Y, Shen, D.-D, Jiang, Y, Yu, X, Jiang, H, Melcher, K, Roth, B, Cheng, X, Zhang, Y, Xu, H. | Deposit date: | 2020-07-29 | Release date: | 2021-03-10 | Last modified: | 2021-04-07 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Structures of the human dopamine D3 receptor-G i complexes. Mol.Cell, 81, 2021
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7CMV
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![BU of 7cmv by Molmil](/molmil-images/mine/7cmv) | Dopamine Receptor D3R-Gi-PD128907 complex | Descriptor: | (4aR,10bR)-4-propyl-3,4a,5,10b-tetrahydro-2H-chromeno[4,3-b][1,4]oxazin-9-ol, 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: | Xu, P, Huang, S, Mao, C, Krumm, B, Zhou, X, Tan, Y, Huang, X.-P, Liu, Y, Shen, D.-D, Jiang, Y, Yu, X, Jiang, H, Melcher, K, Roth, B, Cheng, X, Zhang, Y, Xu, H. | Deposit date: | 2020-07-29 | Release date: | 2021-03-10 | Last modified: | 2021-04-07 | Method: | ELECTRON MICROSCOPY (2.7 Å) | Cite: | Structures of the human dopamine D3 receptor-G i complexes. Mol.Cell, 81, 2021
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5UWF
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![BU of 5uwf by Molmil](/molmil-images/mine/5uwf) | Crystal structure of human PDE10A in complex with inhibitor 16d | Descriptor: | 9-[(1S)-2,2-difluorocyclopropane-1-carbonyl]-6-[(4-methoxyphenyl)methyl]-8,9,10,11-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-5(6H)-one, MAGNESIUM ION, ZINC ION, ... | Authors: | Xu, R, Cedervall, E.P, Sridhar, V, Barker, R, Aertgeerts, K. | Deposit date: | 2017-02-21 | Release date: | 2017-04-26 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | Discovery of Selective Phosphodiesterase 1 Inhibitors with Memory Enhancing Properties. J. Med. Chem., 60, 2017
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7VFB
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![BU of 7vfb by Molmil](/molmil-images/mine/7vfb) | the complex of SARS-CoV2 3cl and NB2B4 | Descriptor: | 3C-like proteinase, nb2b4 | Authors: | Geng, Y, Sun, Z.C, Wang, L. | Deposit date: | 2021-09-11 | Release date: | 2022-03-30 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | An extended conformation of SARS-CoV-2 main protease reveals allosteric targets. Proc.Natl.Acad.Sci.USA, 119, 2022
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7VFA
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![BU of 7vfa by Molmil](/molmil-images/mine/7vfa) | the complex of SARS-CoV2 3CL and NB1A2 | Descriptor: | 3C-like proteinase, NB1A2, SULFATE ION | Authors: | Sun, Z.C, Wang, L, Geng, Y. | Deposit date: | 2021-09-11 | Release date: | 2022-03-30 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | An extended conformation of SARS-CoV-2 main protease reveals allosteric targets. Proc.Natl.Acad.Sci.USA, 119, 2022
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5UP0
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![BU of 5up0 by Molmil](/molmil-images/mine/5up0) | Crystal structure of human PDE1B catalytic domain in complex with inhibitor 3 (6-(4-chlorobenzyl)-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-5(6H)-one) | Descriptor: | 6-[(4-chlorophenyl)methyl]-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-5(6H)-one, Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B, MAGNESIUM ION, ... | Authors: | Cedervall, E.P, Allerston, C.K, Xu, R, Sridhar, V, Barker, R, Aertgeerts, K. | Deposit date: | 2017-02-01 | Release date: | 2017-04-26 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.04 Å) | Cite: | Discovery of Selective Phosphodiesterase 1 Inhibitors with Memory Enhancing Properties. J. Med. Chem., 60, 2017
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