7XMG
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![BU of 7xmg by Molmil](/molmil-images/mine/7xmg) | Cryo-EM structure of human NaV1.7/beta1/beta2-TCN-1752 | Descriptor: | (1~{Z})-~{N}-[2-methyl-3-[(~{E})-[6-[4-[[4-(trifluoromethyloxy)phenyl]methoxy]piperidin-1-yl]-1~{H}-1,3,5-triazin-2-ylidene]amino]phenyl]ethanimidic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Jiang, D.H, Zhang, J.T. | Deposit date: | 2022-04-25 | Release date: | 2022-11-30 | Last modified: | 2022-12-28 | Method: | ELECTRON MICROSCOPY (3.09 Å) | Cite: | Structural basis for Na V 1.7 inhibition by pore blockers. Nat.Struct.Mol.Biol., 29, 2022
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7XM9
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![BU of 7xm9 by Molmil](/molmil-images/mine/7xm9) | Cryo-EM structure of human NaV1.7/beta1/beta2-XEN907 | Descriptor: | (7~{R})-1'-pentylspiro[6~{H}-furo[3,2-f][1,3]benzodioxole-7,3'-indole]-2'-one, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | zhang, J.T, Jiang, D.H. | Deposit date: | 2022-04-25 | Release date: | 2022-11-30 | Last modified: | 2022-12-28 | Method: | ELECTRON MICROSCOPY (3.22 Å) | Cite: | Structural basis for Na V 1.7 inhibition by pore blockers. Nat.Struct.Mol.Biol., 29, 2022
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7WZX
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![BU of 7wzx by Molmil](/molmil-images/mine/7wzx) | The structure of a Twitch Radical SAM Dehydrogenase SpeY | Descriptor: | (2~{S},4~{S},6~{R})-2-[(2~{S},3~{R},5~{S},6~{R})-3,5-bis(methylamino)-2,4,6-tris(oxidanyl)cyclohexyl]oxy-6-methyl-4-oxidanyl-oxan-3-one, 4Fe-4S cluster-binding domain-containing protein, GLYCEROL, ... | Authors: | Hou, X.L, Zhou, J.H. | Deposit date: | 2022-02-19 | Release date: | 2022-12-28 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.980013 Å) | Cite: | Dioxane Bridge Formation during the Biosynthesis of Spectinomycin Involves a Twitch Radical S -Adenosyl Methionine Dehydrogenase That May Have Evolved from an Epimerase. J.Am.Chem.Soc., 144, 2022
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7WZV
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![BU of 7wzv by Molmil](/molmil-images/mine/7wzv) | The structure of a Twitch Radical SAM Dehydrogenase SpeY | Descriptor: | (1~{S},2~{R},4~{S},5~{R})-2,4-bis(methylamino)-6-[(2~{S},3~{R},4~{S},6~{R})-6-methyl-3,4-bis(oxidanyl)oxan-2-yl]oxy-cyclohexane-1,3,5-triol, 1,2-ETHANEDIOL, 4Fe-4S cluster-binding domain-containing protein, ... | Authors: | Zhou, J.H, Hou, X.L. | Deposit date: | 2022-02-19 | Release date: | 2022-12-28 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.899313 Å) | Cite: | Dioxane Bridge Formation during the Biosynthesis of Spectinomycin Involves a Twitch Radical S -Adenosyl Methionine Dehydrogenase That May Have Evolved from an Epimerase. J.Am.Chem.Soc., 144, 2022
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7X0B
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![BU of 7x0b by Molmil](/molmil-images/mine/7x0b) | The structure of a Twitch Radical SAM Dehydrogenase SpeY | Descriptor: | 4Fe-4S cluster-binding domain-containing protein, CHLORIDE ION, GLYCEROL, ... | Authors: | Hou, X.L, Zhou, J.H. | Deposit date: | 2022-02-21 | Release date: | 2022-12-28 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.02027535 Å) | Cite: | Dioxane Bridge Formation during the Biosynthesis of Spectinomycin Involves a Twitch Radical S -Adenosyl Methionine Dehydrogenase That May Have Evolved from an Epimerase. J.Am.Chem.Soc., 144, 2022
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7YFM
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![BU of 7yfm by Molmil](/molmil-images/mine/7yfm) | Structure of GluN1b-GluN2D NMDA receptor in complex with agonists glycine and glutamate. | Descriptor: | Glutamate receptor ionotropic, NMDA 2D, Isoform 6 of Glutamate receptor ionotropic, ... | Authors: | Zhang, J.L, Zhu, S.J, Zhang, M. | Deposit date: | 2022-07-08 | Release date: | 2023-03-29 | Last modified: | 2023-08-02 | Method: | ELECTRON MICROSCOPY (5.1 Å) | Cite: | Distinct structure and gating mechanism in diverse NMDA receptors with GluN2C and GluN2D subunits. Nat.Struct.Mol.Biol., 30, 2023
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7YFF
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![BU of 7yff by Molmil](/molmil-images/mine/7yff) | Structure of GluN1a-GluN2D NMDA receptor in complex with agonist glycine and competitive antagonist CPP. | Descriptor: | (2R)-4-(3-phosphonopropyl)piperazine-2-carboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Zhang, J.L, Zhu, S.J, Zhang, M. | Deposit date: | 2022-07-08 | Release date: | 2023-04-12 | Last modified: | 2023-08-02 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Distinct structure and gating mechanism in diverse NMDA receptors with GluN2C and GluN2D subunits. Nat.Struct.Mol.Biol., 30, 2023
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7YFL
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![BU of 7yfl by Molmil](/molmil-images/mine/7yfl) | Structure of GluN1a-GluN2D NMDA receptor in complex with agonists glycine and glutamate. | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GLUTAMIC ACID, ... | Authors: | Zhang, J.L, Zhu, S.J, Zhang, M. | Deposit date: | 2022-07-08 | Release date: | 2023-04-12 | Last modified: | 2023-08-02 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | Distinct structure and gating mechanism in diverse NMDA receptors with GluN2C and GluN2D subunits. Nat.Struct.Mol.Biol., 30, 2023
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7YFO
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7YFR
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![BU of 7yfr by Molmil](/molmil-images/mine/7yfr) | Structure of GluN1a E698C-GluN2D NMDA receptor in cystines non-crosslinked state. | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GLUTAMIC ACID, ... | Authors: | Zhang, J.L, Zhu, S.J, Zhang, M. | Deposit date: | 2022-07-09 | Release date: | 2023-04-12 | Last modified: | 2023-08-02 | Method: | ELECTRON MICROSCOPY (5.1 Å) | Cite: | Distinct structure and gating mechanism in diverse NMDA receptors with GluN2C and GluN2D subunits. Nat.Struct.Mol.Biol., 30, 2023
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1CN4
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![BU of 1cn4 by Molmil](/molmil-images/mine/1cn4) | |
1EER
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![BU of 1eer by Molmil](/molmil-images/mine/1eer) | |
8JHZ
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![BU of 8jhz by Molmil](/molmil-images/mine/8jhz) | Cryo-EM structure of the TcsH-TMPRSS2 complex | Descriptor: | Hemorrhagic toxin, Transmembrane protease serine 2, ZINC ION | Authors: | Zhou, R, Liang, T, Zhan, X. | Deposit date: | 2023-05-25 | Release date: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Molecular basis of TMPRSS2 recognition by Paeniclostridium sordellii hemorrhagic toxin. Nat Commun, 15, 2024
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8JI0
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![BU of 8ji0 by Molmil](/molmil-images/mine/8ji0) | |
8UCD
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![BU of 8ucd by Molmil](/molmil-images/mine/8ucd) | Cryo-EM structure of human STEAP1 in complex with AMG 509 Fab | Descriptor: | 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine, AMG 509 anti-STEAP1 Fab, heavy chain, ... | Authors: | Li, F, Bailis, J.M, Zhang, H. | Deposit date: | 2023-09-26 | Release date: | 2023-11-22 | Last modified: | 2024-01-24 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | AMG 509 (Xaluritamig), an Anti-STEAP1 XmAb 2+1 T-cell Redirecting Immune Therapy with Avidity-Dependent Activity against Prostate Cancer. Cancer Discov, 14, 2024
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5C91
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![BU of 5c91 by Molmil](/molmil-images/mine/5c91) | NEDD4 HECT with covalently bound indole-based inhibitor | Descriptor: | E3 ubiquitin-protein ligase NEDD4, methyl (2E)-4-{[(5-methoxy-1,2-dimethyl-1H-indol-3-yl)carbonyl]amino}but-2-enoate | Authors: | Span, I, Smith, A.T, Kathman, S, Statsyuk, A.V, Rosenzweig, A.C. | Deposit date: | 2015-06-26 | Release date: | 2015-09-30 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.44 Å) | Cite: | A Small Molecule That Switches a Ubiquitin Ligase From a Processive to a Distributive Enzymatic Mechanism. J. Am. Chem. Soc., 137, 2015
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7EAX
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![BU of 7eax by Molmil](/molmil-images/mine/7eax) | Crystal complex of p53-V272M and antimony ion | Descriptor: | ANTIMONY (III) ION, Cellular tumor antigen p53, ZINC ION | Authors: | Lu, M, Tang, Y. | Deposit date: | 2021-03-08 | Release date: | 2022-02-16 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Repurposing antiparasitic antimonials to noncovalently rescue temperature-sensitive p53 mutations. Cell Rep, 39, 2022
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7DRT
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![BU of 7drt by Molmil](/molmil-images/mine/7drt) | Human Wntless in complex with Wnt3a | Descriptor: | 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1-O-OCTADECYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Zhong, Q, Zhao, Y, Ye, F, Xiao, Z, Huang, G, Zhang, Y, Lu, P, Xu, W, Zhou, Q, Ma, D. | Deposit date: | 2020-12-29 | Release date: | 2021-07-14 | Last modified: | 2021-09-08 | Method: | ELECTRON MICROSCOPY (2.2 Å) | Cite: | Cryo-EM structure of human Wntless in complex with Wnt3a. Nat Commun, 12, 2021
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8TXG
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![BU of 8txg by Molmil](/molmil-images/mine/8txg) | Crystal structure of KRAS G12D in complex with GDP and compound 8 | Descriptor: | (4M)-4-(6-chloro-4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]-8-fluoro-2-{[(2R,4R,7aS)-2-fluorotetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}quinazolin-7-yl)-7-fluoro-1,3-benzothiazol-2-amine, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... | Authors: | Chen, P, Irimia, A, Yang, Z. | Deposit date: | 2023-08-23 | Release date: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structure-Based Design and Synthesis of Potent and Selective KRAS G12D Inhibitors. Acs Med.Chem.Lett., 14, 2023
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8TXH
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![BU of 8txh by Molmil](/molmil-images/mine/8txh) | Crystal structure of KRAS G12D in complex with GDP and compound 14 | Descriptor: | (4P)-2-amino-4-{4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]-8-fluoro-2-{[(2R,4R,7aS)-2-fluorotetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}-6-(trifluoromethyl)quinazolin-7-yl}-7-fluoro-1-benzothiophene-3-carbonitrile, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... | Authors: | Chen, P, Irimia, A, Yang, Z. | Deposit date: | 2023-08-23 | Release date: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Structure-Based Design and Synthesis of Potent and Selective KRAS G12D Inhibitors. Acs Med.Chem.Lett., 14, 2023
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8TXE
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![BU of 8txe by Molmil](/molmil-images/mine/8txe) | Crystal structure of KRAS G12D in complex with GDP and compound 5 | Descriptor: | (6M)-6-(6-chloro-4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]-8-fluoro-2-{[(2R,4R,7aS)-2-fluorotetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}quinazolin-7-yl)-4-methyl-5-(trifluoromethyl)pyridin-2-amine, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... | Authors: | Chen, P, Irimia, A, Yang, Z. | Deposit date: | 2023-08-23 | Release date: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Structure-Based Design and Synthesis of Potent and Selective KRAS G12D Inhibitors. Acs Med.Chem.Lett., 14, 2023
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7XMN
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![BU of 7xmn by Molmil](/molmil-images/mine/7xmn) | Structure of SARS-CoV-2 ORF8 | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, Maltodextrin-binding protein, ... | Authors: | Chen, X, Xu, W. | Deposit date: | 2022-04-26 | Release date: | 2023-05-31 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Glycosylated, Lipid-Binding, CDR-Like Domains of SARS-CoV-2 ORF8 Indicate Unique Sites of Immune Regulation. Microbiol Spectr, 11, 2023
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7OQ6
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![BU of 7oq6 by Molmil](/molmil-images/mine/7oq6) | Crystal structure of cytochrome P450 Sas16 from Streptomyces asterosporus | Descriptor: | Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE, THIOCYANATE ION | Authors: | Zhang, L, Zhang, S, Bechthold, A, Einsle, O. | Deposit date: | 2021-06-02 | Release date: | 2022-06-22 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | P450-mediated dehydrotyrosine formation during WS9326 biosynthesis proceeds via dehydrogenation of a specific acylated dipeptide substrate. Acta Pharm Sin B, 13, 2023
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3MFQ
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![BU of 3mfq by Molmil](/molmil-images/mine/3mfq) | A Glance into the Metal Binding Specificity of TroA: Where Elaborate Behaviors Occur in the Active Center | Descriptor: | High-affinity zinc uptake system protein znuA, ZINC ION | Authors: | Gao, G.F, Zheng, B, Zhang, Q, Gao, J, Han, H, Li, M. | Deposit date: | 2010-04-03 | Release date: | 2011-04-13 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.598 Å) | Cite: | Insight into the interaction of metal ions with TroA from Streptococcus suis Plos One, 6, 2011
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5WMG
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![BU of 5wmg by Molmil](/molmil-images/mine/5wmg) | N-terminal bromodomain of BRD4 in complex with OTX-015 | Descriptor: | 1,2-ETHANEDIOL, 4-{6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1S)-1-(pyridin-2-yl)ethyl]-1H-pyrrolo[3,2-b]pyridin-3-yl}benzoic acid, Bromodomain-containing protein 4 | Authors: | Zhang, Y. | Deposit date: | 2017-07-28 | Release date: | 2018-08-01 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.19 Å) | Cite: | BRD4 Profiling Identifies Critical Chronic Lymphocytic Leukemia Oncogenic Circuits and Reveals Sensitivity to PLX51107, a Novel Structurally Distinct BET Inhibitor. Cancer Discov, 8, 2018
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