5KH4
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5KH2
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8F60
| anti-BTLA monoclonal antibody r23C8 in complex with BTLA | Descriptor: | ACETATE ION, B- and T-lymphocyte attenuator, alpha-D-mannopyranose-(1-6)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Hendle, J, Atwell, S, Lieu, R, Hickey, M, Weichert, K. | Deposit date: | 2022-11-15 | Release date: | 2023-05-24 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.64 Å) | Cite: | Epitope topography of agonist antibodies to the checkpoint inhibitory receptor BTLA. Structure, 31, 2023
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8F6O
| anti-BTLA monoclonal antibody h22B3 in complex with BTLA | Descriptor: | B- and T-lymphocyte attenuator, h22B3 Fab heavy chain, h22B3 Fab light chain | Authors: | Hendle, J, Atwell, S, Lieu, R, Hickey, M, Weichert, K. | Deposit date: | 2022-11-16 | Release date: | 2023-05-24 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.31 Å) | Cite: | Epitope topography of agonist antibodies to the checkpoint inhibitory receptor BTLA. Structure, 31, 2023
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8F6L
| anti-BTLA monoclonal antibody h25F7 in complex with BTLA | Descriptor: | B- and T-lymphocyte attenuator, h25F7 Fab heavy chain, h25F7 Fab light chain | Authors: | Hendle, J, Atwell, S, Lieu, R, Hickey, M, Weichert, K. | Deposit date: | 2022-11-16 | Release date: | 2023-05-24 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Epitope topography of agonist antibodies to the checkpoint inhibitory receptor BTLA. Structure, 31, 2023
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5KH5
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8H3D
| Structure of apo SARS-CoV-2 spike protein with one RBD up | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein,Fibritin | Authors: | Meng, F, Wang, Q, Xie, Y, Ni, X, Huang, N. | Deposit date: | 2022-10-08 | Release date: | 2023-03-22 | Method: | ELECTRON MICROSCOPY (3.27 Å) | Cite: | In Silico Discovery of Small Molecule Modulators Targeting the Achilles' Heel of SARS-CoV-2 Spike Protein. Acs Cent.Sci., 9, 2023
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8H3E
| Complex structure of a small molecule (SPC-14) bound SARS-CoV-2 spike protein, closed state | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 7-(6-nitro-2,3-dihydroindol-1-yl)-7-oxidanylidene-heptanoic acid, Spike glycoprotein,Fibritin | Authors: | Meng, F, Wang, Q, Xie, Y, Ni, X, Huang, N. | Deposit date: | 2022-10-08 | Release date: | 2023-03-22 | Method: | ELECTRON MICROSCOPY (3.06 Å) | Cite: | In Silico Discovery of Small Molecule Modulators Targeting the Achilles' Heel of SARS-CoV-2 Spike Protein. Acs Cent.Sci., 9, 2023
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5LOL
| Glutathione-bound Dehydroascorbate Reductase 2 of Arabidopsis thaliana | Descriptor: | GLUTATHIONE, GLYCEROL, Glutathione S-transferase DHAR2, ... | Authors: | Young, D.R, Pallo, A, Bodra, N, Messens, J. | Deposit date: | 2016-08-09 | Release date: | 2017-06-07 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Arabidopsis thaliana dehydroascorbate reductase 2: Conformational flexibility during catalysis. Sci Rep, 7, 2017
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5CDN
| 2.8A structure of etoposide with S.aureus DNA gyrase and DNA | Descriptor: | (5S,5aR,8aR,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5,5a,6,8,8a,9-hexahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol -5-yl 4,6-O-[(1R)-ethylidene]-beta-D-glucopyranoside, DNA (5'-D(P*GP*AP*GP*CP*GP*TP*AP**GP*GP*CP*CP*GP*TP*AP*CP*GP*CP*TP*C)-3'), DNA (5'-D(P*GP*AP*GP*CP*GP*TP*AP*C*GP*GP*CP*CP*GP*TP*AP*CP*GP*CP*TP*C)-3'), ... | Authors: | Bax, B.D, Srikannathasan, V, Chan, P.F. | Deposit date: | 2015-07-04 | Release date: | 2015-12-16 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.79 Å) | Cite: | Structural basis of DNA gyrase inhibition by antibacterial QPT-1, anticancer drug etoposide and moxifloxacin. Nat Commun, 6, 2015
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5CDQ
| 2.95A structure of Moxifloxacin with S.aureus DNA gyrase and DNA | Descriptor: | 1-cyclopropyl-6-fluoro-8-methoxy-7-[(4aS,7aS)-octahydro-6H-pyrrolo[3,4-b]pyridin-6-yl]-4-oxo-1,4-dihydroquinoline-3-carboxylic acid, DNA (5'-D(P*GP*AP*GP*CP*GP*TP*AP*T*GP*GP*CP*CP*AP*TP*AP*CP*GP*CP*TP*T)-3'), DNA gyrase subunit A, ... | Authors: | Bax, B.D, Srikannathasan, V, Chan, P.F. | Deposit date: | 2015-07-04 | Release date: | 2015-12-16 | Last modified: | 2016-12-21 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | Structural basis of DNA gyrase inhibition by antibacterial QPT-1, anticancer drug etoposide and moxifloxacin. Nat Commun, 6, 2015
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5CDP
| 2.45A structure of etoposide with S.aureus DNA gyrase and DNA | Descriptor: | (5S,5aR,8aR,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5,5a,6,8,8a,9-hexahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol -5-yl 4,6-O-[(1R)-ethylidene]-beta-D-glucopyranoside, DNA (5'-D(*AP*GP*CP*CP*GP*TP*AP*G*GP*GP*TP*AP*CP*CP*TP*AP*CP*GP*GP*CP*T)-3'), DNA gyrase subunit A, ... | Authors: | Bax, B.D, Srikannathasan, V, Chan, P.F. | Deposit date: | 2015-07-04 | Release date: | 2015-12-16 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Structural basis of DNA gyrase inhibition by antibacterial QPT-1, anticancer drug etoposide and moxifloxacin. Nat Commun, 6, 2015
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8H6T
| Complex structure of CDK2/Cyclin E1 and a potent, selective small molecule inhibitor | Descriptor: | (1R,3S)-3-{3-[(pyridin-2-yl)amino]-1H-pyrazol-5-yl}cyclopentyl propan-2-ylcarbamate, Cyclin-dependent kinase 2, G1/S-specific cyclin-E1 | Authors: | Ren, X. | Deposit date: | 2022-10-18 | Release date: | 2023-02-22 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Accelerated Discovery of Macrocyclic CDK2 Inhibitor QR-6401 by Generative Models and Structure-Based Drug Design. Acs Med.Chem.Lett., 14, 2023
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8H6P
| Complex structure of CDK2/Cyclin E1 and a potent, selective macrocyclic inhibitor | Descriptor: | (7S,10R)-11-oxa-2,4,5,13,17,23-hexaazatetracyclo[17.3.1.1~3,6~.1~7,10~]pentacosa-1(23),3(25),5,19,21-pentaene-12,18-dione, Cyclin-dependent kinase 2, G1/S-specific cyclin-E1 | Authors: | Ren, X. | Deposit date: | 2022-10-18 | Release date: | 2023-02-22 | Last modified: | 2023-03-29 | Method: | X-RAY DIFFRACTION (2.44 Å) | Cite: | Accelerated Discovery of Macrocyclic CDK2 Inhibitor QR-6401 by Generative Models and Structure-Based Drug Design. Acs Med.Chem.Lett., 14, 2023
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5CDO
| 3.15A structure of QPT-1 with S.aureus DNA gyrase and DNA | Descriptor: | (2R,4S,4aS)-4',6'-dihydroxy-2,4-dimethyl-8-nitro-1,2,4,4a-tetrahydro-2'H,6H-spiro[1,4-oxazino[4,3-a]quinoline-5,5'-pyrimidin]-2'-one, (2R,4S,4aS,5R)-6'-hydroxy-2,4-dimethyl-8-nitro-1,2,4,4a-tetrahydro-2'H,6H-spiro[1,4-oxazino[4,3-a]quinoline-5,5'-pyrimidine]-2',4'(3'H)-dione, (2R,4S,4aS,5S)-6'-hydroxy-2,4-dimethyl-8-nitro-1,2,4,4a-tetrahydro-2'H,6H-spiro[1,4-oxazino[4,3-a]quinoline-5,5'-pyrimidine]-2',4'(3'H)-dione, ... | Authors: | Bax, B.D, Srikannathasan, V, Chan, P.F. | Deposit date: | 2015-07-04 | Release date: | 2015-12-16 | Method: | X-RAY DIFFRACTION (3.15 Å) | Cite: | Structural basis of DNA gyrase inhibition by antibacterial QPT-1, anticancer drug etoposide and moxifloxacin. Nat Commun, 6, 2015
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5CDR
| 2.65 structure of S.aureus DNA gyrase and artificially nicked DNA | Descriptor: | DNA (5'-D(*AP*GP*CP*CP*GP*TP*AP*)-3'), DNA (5'-D(*AP*GP*CP*CP*GP*TP*AP*GP*GP*TP*AP*CP*CP*TP*AP*CP*GP*GP*CP*T)-3'), DNA (5'-D(*GP*GP*TP*AP*CP*CP*TP*AP*CP*GP*GP*CP*T)-3'), ... | Authors: | Bax, B.D, Srikannathasan, V, Chan, P.F. | Deposit date: | 2015-07-04 | Release date: | 2015-12-16 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Structural basis of DNA gyrase inhibition by antibacterial QPT-1, anticancer drug etoposide and moxifloxacin. Nat Commun, 6, 2015
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5CDM
| 2.5A structure of QPT-1 with S.aureus DNA gyrase and DNA | Descriptor: | (2R,4S,4aS)-2,4-dimethyl-8-nitro-1,2,4,4a-tetrahydro-2'H,6H-spiro[1,4-oxazino[4,3-a]quinoline-5,5'-pyrimidine]-2',4',6'(1'H,3'H)-trione, DNA (5'-D(P*GP*AP*GP*CP*GP*TP*AP*C*GP*GP*CP*CP*GP*TP*AP*CP*GP*CP*TP*T)-3'), DNA gyrase subunit A, ... | Authors: | Bax, B.D, Srikannathasan, V, Chan, P.F. | Deposit date: | 2015-07-04 | Release date: | 2015-12-16 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural basis of DNA gyrase inhibition by antibacterial QPT-1, anticancer drug etoposide and moxifloxacin. Nat Commun, 6, 2015
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5JR1
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5JNY
| Crystal Structure of 10E8 Fab | Descriptor: | 10E8 Heavy Chain, 10E8 Light Chain, CHLORIDE ION, ... | Authors: | Ofek, G, Kwong, P. | Deposit date: | 2016-05-01 | Release date: | 2016-07-13 | Method: | X-RAY DIFFRACTION (3.041 Å) | Cite: | Developmental Pathway of the MPER-Directed HIV-1-Neutralizing Antibody 10E8. Plos One, 11, 2016
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5JO5
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6K7P
| Crystal structure of human AFF4-THD domain | Descriptor: | AF4/FMR2 family member 4 | Authors: | Tang, D, Xue, Y, Li, S, Cheng, W, Duan, J, Wang, J, Qi, S. | Deposit date: | 2019-06-08 | Release date: | 2020-03-11 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural and functional insight into the effect of AFF4 dimerization on activation of HIV-1 proviral transcription. Cell Discov, 6, 2020
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5C0M
| Crystal structure of SGF29 tandem tudor domain in complex with a Carba containing peptide | Descriptor: | Carba-containing peptide, GLYCEROL, SAGA-associated factor 29 homolog, ... | Authors: | Dong, A, Xu, C, Tempel, W, Cerovina, T, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | Deposit date: | 2015-06-12 | Release date: | 2015-07-01 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Chemical basis for the recognition of trimethyllysine by epigenetic reader proteins. Nat Commun, 6, 2015
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8GXL
| HUMAN SUGP1 433-577 | Descriptor: | SURP and G-patch domain-containing protein 1 | Authors: | Xu, K, Tong, L. | Deposit date: | 2022-09-20 | Release date: | 2022-12-14 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | DHX15 is involved in SUGP1-mediated RNA missplicing by mutant SF3B1 in cancer. Proc.Natl.Acad.Sci.USA, 119, 2022
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8GXM
| HUMAN SUGP1 433-586 | Descriptor: | SURP and G-patch domain-containing protein 1 | Authors: | Xu, K, Tong, L. | Deposit date: | 2022-09-20 | Release date: | 2022-12-14 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.81 Å) | Cite: | DHX15 is involved in SUGP1-mediated RNA missplicing by mutant SF3B1 in cancer. Proc.Natl.Acad.Sci.USA, 119, 2022
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8I5X
| Structure of human Nav1.7 in complex with Vinpocetine | Descriptor: | (3beta,14beta,17beta,25R)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en, 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1-O-OCTADECYL-SN-GLYCERO-3-PHOSPHOCHOLINE, ... | Authors: | Wu, Q.R, Yan, N. | Deposit date: | 2023-01-26 | Release date: | 2023-06-14 | Last modified: | 2023-11-08 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Structural mapping of Na v 1.7 antagonists. Nat Commun, 14, 2023
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