7VKV
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7EFR
| Structure of SARS-CoV-2 spike receptor-binding domain in complex with high affinity ACE2 mutant (T27W,N330Y) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, Spike glycoprotein | Authors: | Lu, G.W, Ye, F, Lin, X. | Deposit date: | 2021-03-23 | Release date: | 2021-11-24 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.494 Å) | Cite: | S19W, T27W, and N330Y mutations in ACE2 enhance SARS-CoV-2 S-RBD binding toward both wild-type and antibody-resistant viruses and its molecular basis. Signal Transduct Target Ther, 6, 2021
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7EFP
| Structure of SARS-CoV-2 spike receptor-binding domain in complex with high affinity ACE2 mutant (S19W,N330Y) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, Spike glycoprotein | Authors: | Lu, G.W, Ye, F, Lin, X. | Deposit date: | 2021-03-22 | Release date: | 2021-11-24 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.698 Å) | Cite: | S19W, T27W, and N330Y mutations in ACE2 enhance SARS-CoV-2 S-RBD binding toward both wild-type and antibody-resistant viruses and its molecular basis. Signal Transduct Target Ther, 6, 2021
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5XS5
| Structure of Coxsackievirus A6 (CVA6) virus procapsid particle | Descriptor: | Genome polyprotein | Authors: | Zheng, Q.B, He, M.Z, Xu, L.F, Yu, H, Cheng, T, Li, S.W. | Deposit date: | 2017-06-12 | Release date: | 2017-09-27 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Atomic structures of Coxsackievirus A6 and its complex with a neutralizing antibody Nat Commun, 8, 2017
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5XS7
| Structure of Coxsackievirus A6 (CVA6) virus A-particle in complex with the neutralizing antibody fragment 1D5 | Descriptor: | Genome polyprotein, Heavy chain of Fab 1D5, Light chain of Fab 1D5 | Authors: | Zheng, Q.B, He, M.Z, Xu, L.F, Yu, H, Li, S.W, Cheng, T. | Deposit date: | 2017-06-12 | Release date: | 2017-09-27 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Atomic structures of Coxsackievirus A6 and its complex with a neutralizing antibody Nat Commun, 8, 2017
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5XS4
| Structure of Coxsackievirus A6 (CVA6) virus A-particle | Descriptor: | Genome polyprotein | Authors: | Zheng, Q.B, He, M.Z, Xu, L.F, Yu, H, Li, S.W, Cheng, T. | Deposit date: | 2017-06-12 | Release date: | 2017-09-27 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Atomic structures of Coxsackievirus A6 and its complex with a neutralizing antibody Nat Commun, 8, 2017
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6N47
| The structure of SB-2-204-tubulin complex | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-(2-chloropyrido[3,2-d]pyrimidin-4-yl)-7-methoxy-3,4-dihydroquinoxalin-2(1H)-one, CALCIUM ION, ... | Authors: | Arnst, K, Banerjee, S, Wang, Y, Li, W, Miller, D, Li, W. | Deposit date: | 2018-11-17 | Release date: | 2019-11-13 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | X-ray Crystal Structure Guided Discovery and Antitumor Efficacy of Dihydroquinoxalinone as Potent Tubulin Polymerization Inhibitors. Acs Chem.Biol., 14, 2019
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6OX7
| The complex of 1918 NS1-ED and the iSH2 domain of the human p85beta subunit of PI3K | Descriptor: | Non-structural protein 1, Phosphatidylinositol 3-kinase regulatory subunit beta | Authors: | Shen, Q, Zhao, B, Li, P, Cho, J.H. | Deposit date: | 2019-05-13 | Release date: | 2020-04-22 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Molecular recognition of a host protein by NS1 of pandemic and seasonal influenza A viruses. Proc.Natl.Acad.Sci.USA, 117, 2020
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6P62
| HIV Env BG505 NFL TD+ in complex with antibody E70 fragment antigen binding | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, HIV-1 Env BG505 NFL TD+, ... | Authors: | Ozorowski, G, Torres, J.L, Ward, A.B. | Deposit date: | 2019-05-31 | Release date: | 2019-11-20 | Last modified: | 2020-07-29 | Method: | ELECTRON MICROSCOPY (3.57 Å) | Cite: | Vaccination with Glycan-Modified HIV NFL Envelope Trimer-Liposomes Elicits Broadly Neutralizing Antibodies to Multiple Sites of Vulnerability. Immunity, 51, 2019
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5Z4Y
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7RN2
| Crystal structure of the first bromodomain of human BRD4 in complex with SJ001010551-2 | Descriptor: | 1,2-ETHANEDIOL, 2-[(6S,10S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl]-N-[(pyridin-2-yl)methyl]acetamide, Bromodomain-containing protein 4 | Authors: | Stachowski, T.R, Fischer, M. | Deposit date: | 2021-07-28 | Release date: | 2022-08-03 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.05 Å) | Cite: | From PROTAC to inhibitor: Structure-guided discovery of potent and orally bioavailable BET inhibitors. Eur.J.Med.Chem., 251, 2023
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7RMD
| Crystal structure of the first bromodomain of human BRD4 in complex with SJ001011461-1 | Descriptor: | 1,2-ETHANEDIOL, 2-[(6S,10R)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide, Bromodomain-containing protein 4 | Authors: | Stachowski, T.R, Fischer, M. | Deposit date: | 2021-07-27 | Release date: | 2022-08-03 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.18 Å) | Cite: | From PROTAC to inhibitor: Structure-guided discovery of potent and orally bioavailable BET inhibitors. Eur.J.Med.Chem., 251, 2023
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5Z50
| Crystal structure of PaCysB regulatory domain | Descriptor: | Cys regulon transcriptional activator, GLYCEROL, SULFATE ION | Authors: | Yang, C, Liang, H, Gan, J. | Deposit date: | 2018-01-15 | Release date: | 2019-01-23 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.206 Å) | Cite: | Molecular insights into the master regulator CysB-mediated bacterial virulence in Pseudomonas aeruginosa. Mol.Microbiol., 111, 2019
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5Z4Z
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7L6X
| Crystal structure of the tandem bromodomain (BD1, BD2) of human TAF1 bound to GNE-371 | Descriptor: | 1,2-ETHANEDIOL, 6-(but-3-en-1-yl)-4-[1-methyl-6-(morpholine-4-carbonyl)-1H-benzimidazol-4-yl]-1,6-dihydro-7H-pyrrolo[2,3-c]pyridin-7-one, Transcription initiation factor TFIID subunit 1 | Authors: | Karim, M.R, Schonbrunn, E. | Deposit date: | 2020-12-24 | Release date: | 2021-06-30 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Discovery of Dual TAF1-ATR Inhibitors and Ligand-Induced Structural Changes of the TAF1 Tandem Bromodomain. J.Med.Chem., 65, 2022
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7LZ7
| Tubulin-RB3_SLD-TTL in complex with compound 5k | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-(3,6-dimethyl[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-7-methoxy-3,4-dihydroquinoxalin-2(1H)-one, CALCIUM ION, ... | Authors: | White, S.W, Yun, M. | Deposit date: | 2021-03-09 | Release date: | 2021-09-22 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | X-ray Crystallography-Guided Design, Antitumor Efficacy, and QSAR Analysis of Metabolically Stable Cyclopenta-Pyrimidinyl Dihydroquinoxalinone as a Potent Tubulin Polymerization Inhibitor. J.Med.Chem., 64, 2021
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7LZ8
| Tubulin-RB3_SLD-TTL in complex with compound 5t | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-[2-(ethylamino)pyrido[3,2-d]pyrimidin-4-yl]-7-methoxy-3,4-dihydroquinoxalin-2(1H)-one, CALCIUM ION, ... | Authors: | White, S.W, Yun, M. | Deposit date: | 2021-03-09 | Release date: | 2021-09-22 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.92 Å) | Cite: | X-ray Crystallography-Guided Design, Antitumor Efficacy, and QSAR Analysis of Metabolically Stable Cyclopenta-Pyrimidinyl Dihydroquinoxalinone as a Potent Tubulin Polymerization Inhibitor. J.Med.Chem., 64, 2021
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6BR1
| Tubulin-RB3_SLD-TTL in complex with heterocyclic pyrimidine compound 4a | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-chloro-4-(6-methoxy-3,4-dihydroquinolin-1(2H)-yl)pyrido[2,3-d]pyrimidine, CALCIUM ION, ... | Authors: | Kumar, G, Wang, Y, Li, W, White, S.W. | Deposit date: | 2017-11-29 | Release date: | 2018-06-27 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.304 Å) | Cite: | Heterocyclic-Fused Pyrimidines as Novel Tubulin Polymerization Inhibitors Targeting the Colchicine Binding Site: Structural Basis and Antitumor Efficacy. J. Med. Chem., 61, 2018
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8X61
| Cryo-EM structure of ATP-bound FtsE(E163Q)X | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Cell division ATP-binding protein FtsE, Cell division protein FtsX | Authors: | Zhang, Z.Y, Chen, Y.T. | Deposit date: | 2023-11-20 | Release date: | 2024-05-08 | Last modified: | 2024-07-24 | Method: | ELECTRON MICROSCOPY (3.05 Å) | Cite: | Structure and activity of the septal peptidoglycan hydrolysis machinery crucial for bacterial cell division. Plos Biol., 22, 2024
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6BS2
| Tubulin-RB3_SLD-TTL in complex with heterocyclic pyrimidine compound 8b | Descriptor: | 1-(3,6-dimethyl[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-6-methoxy-1,2,3,4-tetrahydroquinoline, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ... | Authors: | Kumar, G, Wang, Y, Li, W, White, S.W. | Deposit date: | 2017-12-01 | Release date: | 2018-06-27 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Heterocyclic-Fused Pyrimidines as Novel Tubulin Polymerization Inhibitors Targeting the Colchicine Binding Site: Structural Basis and Antitumor Efficacy. J. Med. Chem., 61, 2018
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6BRF
| Tubulin-RB3_SLD-TTL in complex with heterocyclic pyrimidine compound 4b | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-chloro-4-(6-methoxy-3,4-dihydroquinolin-1(2H)-yl)pyrido[3,2-d]pyrimidine, CALCIUM ION, ... | Authors: | Kumar, G, Wang, Y, Li, W, White, S.W. | Deposit date: | 2017-11-30 | Release date: | 2018-06-27 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Heterocyclic-Fused Pyrimidines as Novel Tubulin Polymerization Inhibitors Targeting the Colchicine Binding Site: Structural Basis and Antitumor Efficacy. J. Med. Chem., 61, 2018
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6BRY
| Tubulin-RB3_SLD-TTL in complex with heterocyclic pyrimidine compound 6a | Descriptor: | 1-(2-chlorofuro[3,2-d]pyrimidin-4-yl)-6-methoxy-1,2,3,4-tetrahydroquinoline, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ... | Authors: | Kumar, G, Wang, Y, Li, W, White, S.W. | Deposit date: | 2017-12-01 | Release date: | 2018-06-27 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Heterocyclic-Fused Pyrimidines as Novel Tubulin Polymerization Inhibitors Targeting the Colchicine Binding Site: Structural Basis and Antitumor Efficacy. J. Med. Chem., 61, 2018
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7NA3
| HDM2 in complex with compound 62 | Descriptor: | 3-[4-(5-chloropyridin-3-yl)-2-[(2S)-1-methoxypropan-2-yl]-3-{(1R)-1-[(1r,4R)-4-methylcyclohexyl]ethyl}-3H-imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazol-5(4H)-one, Isoform 11 of E3 ubiquitin-protein ligase Mdm2, SULFATE ION | Authors: | Scapin, G. | Deposit date: | 2021-06-19 | Release date: | 2021-11-10 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.21 Å) | Cite: | Discovery of MK-4688 : an Efficient Inhibitor of the HDM2-p53 Protein-Protein Interaction. J.Med.Chem., 64, 2021
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7NA4
| HDM2 in complex with compound 63 | Descriptor: | 3-[4-(5-chloropyridin-3-yl)-2-[(R)-cyclopropyl(ethoxy)methyl]-3-{(1R)-1-[(1r,4R)-4-methylcyclohexyl]ethyl}-3H-imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazol-5(4H)-one, CHLORIDE ION, GLYCEROL, ... | Authors: | Scapin, G. | Deposit date: | 2021-06-19 | Release date: | 2021-11-10 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | Discovery of MK-4688 : an Efficient Inhibitor of the HDM2-p53 Protein-Protein Interaction. J.Med.Chem., 64, 2021
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7NA2
| HDM2 in complex with compound 56 | Descriptor: | 3-[4-(5-chloropyridin-3-yl)-2-[(4aR,7aR)-hexahydrocyclopenta[b][1,4]oxazin-4(4aH)-yl]-3-{[(1r,4R)-4-methylcyclohexyl]methyl}-3H-imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazol-5(4H)-one, Isoform 11 of E3 ubiquitin-protein ligase Mdm2 | Authors: | Scapin, G. | Deposit date: | 2021-06-19 | Release date: | 2021-11-10 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Discovery of MK-4688 : an Efficient Inhibitor of the HDM2-p53 Protein-Protein Interaction. J.Med.Chem., 64, 2021
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