6VA4
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![BU of 6va4 by Molmil](/molmil-images/mine/6va4) | Solution Structure of the Tau pre-mRNA Exon 10 Splicing Regulatory Element Bound to MIP | Descriptor: | N-[3-(8-methoxy-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)propyl]-N-methylcyclohexanaminium, RNA (5'-R(*CP*AP*CP*AP*CP*GP*UP*CP*GP*G)-3'), RNA (5'-R(*CP*CP*GP*GP*CP*AP*GP*UP*GP*UP*G)-3') | Authors: | Chen, J.L, Fountain, M.A, Disney, M.D. | Deposit date: | 2019-12-16 | Release date: | 2020-05-20 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Design, Optimization, and Study of Small Molecules That Target Tau Pre-mRNA and Affect Splicing. J.Am.Chem.Soc., 142, 2020
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6MNP
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![BU of 6mnp by Molmil](/molmil-images/mine/6mnp) | Crystal structure of KPC-2 with compound 6 | Descriptor: | 3-(1H-tetrazol-5-ylmethyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one, Carbapenem-hydrolyzing beta-lactamase KPC, GLYCEROL | Authors: | Akhtar, A, Chen, Y. | Deposit date: | 2018-10-02 | Release date: | 2019-04-17 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.202 Å) | Cite: | Active-Site Druggability of Carbapenemases and Broad-Spectrum Inhibitor Discovery. Acs Infect Dis., 5, 2019
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6MLL
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![BU of 6mll by Molmil](/molmil-images/mine/6mll) | Crystal structure of KPC-2 with compound 7 | Descriptor: | 1,5-diphenyl-N-(1H-tetrazol-5-yl)-1H-pyrazole-3-carboxamide, Carbapenem-hydrolyzing beta-lactamase KPC, GLYCEROL | Authors: | Akhtar, A, Chen, Y. | Deposit date: | 2018-09-27 | Release date: | 2019-04-17 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Active-Site Druggability of Carbapenemases and Broad-Spectrum Inhibitor Discovery. Acs Infect Dis., 5, 2019
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6DBR
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![BU of 6dbr by Molmil](/molmil-images/mine/6dbr) | Cryo-EM structure of RAG in complex with one melted RSS and one unmelted RSS | Descriptor: | CALCIUM ION, Forward strand of melted RSS substrate DNA, Forward strand of unmelted RSS substrate DNA, ... | Authors: | Wu, H, Liao, M, Ru, H, Mi, W. | Deposit date: | 2018-05-03 | Release date: | 2018-08-01 | Last modified: | 2019-12-18 | Method: | ELECTRON MICROSCOPY (4 Å) | Cite: | DNA melting initiates the RAG catalytic pathway. Nat. Struct. Mol. Biol., 25, 2018
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6DBL
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![BU of 6dbl by Molmil](/molmil-images/mine/6dbl) | Cryo-EM structure of RAG in complex with 12-RSS and 23-RSS substrate DNAs | Descriptor: | CALCIUM ION, Molecule name: Forward strand of 12-RSS substrate DNA, Molecule name: Forward strand of 23-RSS substrate DNA, ... | Authors: | Wu, H, Liao, M, Ru, H, Mi, W. | Deposit date: | 2018-05-03 | Release date: | 2018-08-01 | Last modified: | 2019-12-18 | Method: | ELECTRON MICROSCOPY (5.001 Å) | Cite: | DNA melting initiates the RAG catalytic pathway. Nat. Struct. Mol. Biol., 25, 2018
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6DBQ
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![BU of 6dbq by Molmil](/molmil-images/mine/6dbq) | Cryo-EM structure of RAG in complex with 12-RSS and 23-RSS substrate DNAs | Descriptor: | CALCIUM ION, Molecule name: Forward strand of 12-RSS substrate DNA, Molecule name: Forward strand of 23-RSS substrate DNA, ... | Authors: | Wu, H, Liao, M, Ru, H, Mi, W. | Deposit date: | 2018-05-03 | Release date: | 2018-08-01 | Last modified: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (4.22 Å) | Cite: | DNA melting initiates the RAG catalytic pathway. Nat. Struct. Mol. Biol., 25, 2018
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6DBW
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![BU of 6dbw by Molmil](/molmil-images/mine/6dbw) | Cryo-EM structure of RAG in complex with 12-RSS substrate DNA | Descriptor: | CALCIUM ION, Forward strand of 12-RSS substrate DNA, Recombination activating gene 1 - MBP chimera, ... | Authors: | Wu, H, Liao, M, Ru, H, Mi, W. | Deposit date: | 2018-05-03 | Release date: | 2018-08-01 | Last modified: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (4.7 Å) | Cite: | DNA melting initiates the RAG catalytic pathway. Nat. Struct. Mol. Biol., 25, 2018
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6DBT
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![BU of 6dbt by Molmil](/molmil-images/mine/6dbt) | Cryo-EM structure of RAG in complex with 12-RSS and 23-RSS substrate DNAs | Descriptor: | CALCIUM ION, Forward strand of 12-RSS substrate DNA, Forward strand of 23-RSS substrate DNA, ... | Authors: | Wu, H, Liao, M, Ru, H, Mi, W. | Deposit date: | 2018-05-03 | Release date: | 2018-08-01 | Last modified: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (4.3 Å) | Cite: | DNA melting initiates the RAG catalytic pathway. Nat. Struct. Mol. Biol., 25, 2018
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6U25
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![BU of 6u25 by Molmil](/molmil-images/mine/6u25) | CRYSTAL STRUCTURE OF RAR-RELATED ORPHAN RECEPTOR C (NHIS- RORGT(244-487)-L6-SRC1(678-692)) IN COMPLEX WITH A TRICYCLIC INVERSE AGONIST | Descriptor: | GLYCEROL, NUCLEAR RECEPTOR COACTIVATOR 1 CHIMERA, trans-4-[(3aR,9bR)-9b-[(4-fluorophenyl)sulfonyl]-7-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,2,3a,4,5,9b-hexahydro-3H-benzo[e]indole-3-carbonyl]cyclohexane-1-carboxylic acid | Authors: | Sack, J. | Deposit date: | 2019-08-19 | Release date: | 2019-11-06 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.61 Å) | Cite: | Rationally Designed, Conformationally Constrained Inverse Agonists of ROR gamma t-Identification of a Potent, Selective Series with Biologic-Like in Vivo Efficacy. J.Med.Chem., 62, 2019
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6DBU
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![BU of 6dbu by Molmil](/molmil-images/mine/6dbu) | Cryo-EM structure of RAG in complex with 12-RSS and 23-RSS substrate DNAs | Descriptor: | CALCIUM ION, Forward strand RSS substrate DNA, Recombination activating gene 1 - MBP chimera, ... | Authors: | Wu, H, Liao, M, Ru, H, Mi, W. | Deposit date: | 2018-05-03 | Release date: | 2018-08-01 | Last modified: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | DNA melting initiates the RAG catalytic pathway. Nat. Struct. Mol. Biol., 25, 2018
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6DBI
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![BU of 6dbi by Molmil](/molmil-images/mine/6dbi) | Cryo-EM structure of RAG in complex with 12-RSS and 23-RSS nicked DNA intermediates | Descriptor: | CALCIUM ION, Forward strand of 12-RSS signal end, Forward strand of 23-RSS signal end, ... | Authors: | Wu, H, Liao, M, Ru, H, Mi, W. | Deposit date: | 2018-05-03 | Release date: | 2018-08-01 | Last modified: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | DNA melting initiates the RAG catalytic pathway. Nat. Struct. Mol. Biol., 25, 2018
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6DBJ
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![BU of 6dbj by Molmil](/molmil-images/mine/6dbj) | Cryo-EM structure of RAG in complex with 12-RSS and 23-RSS nicked DNA intermediates | Descriptor: | CALCIUM ION, Forward stand of RSS signal end, Forward strand of coding flank, ... | Authors: | Wu, H, Liao, M, Ru, H, Mi, W. | Deposit date: | 2018-05-03 | Release date: | 2018-08-01 | Last modified: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | DNA melting initiates the RAG catalytic pathway. Nat. Struct. Mol. Biol., 25, 2018
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5F21
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![BU of 5f21 by Molmil](/molmil-images/mine/5f21) | human CD38 in complex with nanobody MU375 | Descriptor: | ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1, GLYCEROL, SULFATE ION, ... | Authors: | Hao, Q, Zhang, H. | Deposit date: | 2015-12-01 | Release date: | 2016-06-15 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Immuno-targeting the multifunctional CD38 using nanobody Sci Rep, 6, 2016
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6S1K
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![BU of 6s1k by Molmil](/molmil-images/mine/6s1k) | E. coli Core Signaling Unit, carrying QQQQ receptor mutation | Descriptor: | CheW, Chemotaxis protein CheA, Methyl-accepting chemotaxis protein I | Authors: | Cassidy, C.K. | Deposit date: | 2019-06-18 | Release date: | 2020-01-22 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (8.38 Å) | Cite: | Structure and dynamics of the E. coli chemotaxis core signaling complex by cryo-electron tomography and molecular simulations. Commun Biol, 3, 2020
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5F1K
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![BU of 5f1k by Molmil](/molmil-images/mine/5f1k) | human CD38 in complex with nanobody MU1053 | Descriptor: | ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1, nanobody MU1053 | Authors: | Zhang, H, Hao, Q. | Deposit date: | 2015-11-30 | Release date: | 2016-06-15 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Immuno-targeting the multifunctional CD38 using nanobody Sci Rep, 6, 2016
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6E0P
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![BU of 6e0p by Molmil](/molmil-images/mine/6e0p) | |
8JT8
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![BU of 8jt8 by Molmil](/molmil-images/mine/8jt8) | Crystal structure of 5-HT2AR in complex with (R)-IHCH-7179 | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 1-(4-fluorophenyl)-4-[(7R)-2,5,11-triazatetracyclo[7.6.1.0^2,7.0^12,16]hexadeca-1(15),9,12(16),13-tetraen-5-yl]butan-1-one, 5-hydroxytryptamine receptor 2A,Soluble cytochrome b562, ... | Authors: | Chen, Z, Fan, L, Wang, S. | Deposit date: | 2023-06-21 | Release date: | 2024-02-28 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Flexible scaffold-based cheminformatics approach for polypharmacological drug design. Cell, 187, 2024
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8JT6
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![BU of 8jt6 by Molmil](/molmil-images/mine/8jt6) | 5-HT1A-Gi in complex with compound (R)-IHCH-7179 | Descriptor: | 1-(4-fluorophenyl)-4-[(7R)-2,5,11-triazatetracyclo[7.6.1.0^2,7.0^12,16]hexadeca-1(15),9,12(16),13-tetraen-5-yl]butan-1-one, CHOLESTEROL, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | Authors: | Chen, Z, Xu, P, Huang, S, Xu, H.E, Wang, S. | Deposit date: | 2023-06-21 | Release date: | 2024-02-28 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Flexible scaffold-based cheminformatics approach for polypharmacological drug design. Cell, 187, 2024
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5F1O
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![BU of 5f1o by Molmil](/molmil-images/mine/5f1o) | human CD38 in complex with nanobody MU551 | Descriptor: | ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1, nanobody MU551 | Authors: | Zhang, H, Hao, Q. | Deposit date: | 2015-11-30 | Release date: | 2016-06-15 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Immuno-targeting the multifunctional CD38 using nanobody Sci Rep, 6, 2016
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6ZTZ
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![BU of 6ztz by Molmil](/molmil-images/mine/6ztz) | |
6ZTS
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![BU of 6zts by Molmil](/molmil-images/mine/6zts) | |
6ZTY
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![BU of 6zty by Molmil](/molmil-images/mine/6zty) | |
8CQR
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![BU of 8cqr by Molmil](/molmil-images/mine/8cqr) | |
6DBO
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![BU of 6dbo by Molmil](/molmil-images/mine/6dbo) | Cryo-EM structure of RAG in complex with 12-RSS and 23-RSS substrate DNAs | Descriptor: | CALCIUM ION, Forward strand of substrate RSS DNA, Recombination activating gene 1 - MBP chimera, ... | Authors: | Wu, H, Liao, M, Ru, H, Mi, W. | Deposit date: | 2018-05-03 | Release date: | 2018-08-01 | Last modified: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (4.4 Å) | Cite: | DNA melting initiates the RAG catalytic pathway. Nat. Struct. Mol. Biol., 25, 2018
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6RZ3
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![BU of 6rz3 by Molmil](/molmil-images/mine/6rz3) | Crystal structure of a complex between the DNA-binding domain of p53 and the carboxyl-terminal conserved region of iASPP | Descriptor: | Cellular tumor antigen p53, RelA-associated inhibitor, ZINC ION | Authors: | Chen, S, Ren, J, Jones, E.Y, Lu, X. | Deposit date: | 2019-06-12 | Release date: | 2019-10-30 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (4.23 Å) | Cite: | iASPP mediates p53 selectivity through a modular mechanism fine-tuning DNA recognition. Proc.Natl.Acad.Sci.USA, 116, 2019
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