6AN2
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![BU of 6an2 by Molmil](/molmil-images/mine/6an2) | STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE (RT) TERNARY COMPLEX WITH A DOUBLE STRANDED DNA AND AN INCOMING D4TTP AT PH 7.5 | Descriptor: | 2',3'-DEHYDRO-2',3'-DEOXY-THYMIDINE 5'-TRIPHOSPHATE, DNA PRIMER (5'- D(*AP*CP*AP*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*GP*CP*GP*CP*CP*GP)-3'), DNA TEMPLATE (5'- D(*AP*TP*GP*AP*AP*CP*GP*GP*CP*GP*CP*CP*CP*GP*AP*AP*CP*AP*GP*GP*GP*AP*CP*TP*GP*TP*G)-3'), ... | Authors: | Martinez, S.E, Das, K, Arnold, E. | Deposit date: | 2017-08-11 | Release date: | 2018-08-15 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structure of HIV-1 reverse transcriptase/d4TTP complex: Novel DNA cross-linking site and pH-dependent conformational changes. Protein Sci., 28, 2019
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8F3Y
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![BU of 8f3y by Molmil](/molmil-images/mine/8f3y) | Crystal structure of Penicillin Binding Protein 5 (PBP5) Poly-Gly variant penicillin bound form from Enterococcus faecium | Descriptor: | OPEN FORM - PENICILLIN G, Penicillin binding protein 5, SULFATE ION | Authors: | Schoenle, M.V, D'Andrea, E.D, Choy, M.S, Peti, W, Page, R. | Deposit date: | 2022-11-10 | Release date: | 2023-11-15 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.99 Å) | Cite: | The Molecular Basis for Resistance of E. faecium PBP5 to beta-lactam antibiotics To Be Published
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8F3V
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![BU of 8f3v by Molmil](/molmil-images/mine/8f3v) | Crystal structure of Penicillin Binding Protein 5 (PBP5) PAPAPAP variant apo form from Enterococcus faecium | Descriptor: | Penicillin binding protein 5, SULFATE ION | Authors: | Schoenle, M.V, D'Andrea, E.D, Choy, M.S, Peti, W, Page, R. | Deposit date: | 2022-11-10 | Release date: | 2023-11-15 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | The Molecular Basis for Resistance of E. faecium PBP5 to beta-lactam antibiotics To Be Published
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8EK5
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![BU of 8ek5 by Molmil](/molmil-images/mine/8ek5) | Engineered scFv 10LH bound to PHOX2B/HLA-A24:02 | Descriptor: | 10LH single chain fragment variable (scFv), Beta-2-microglobulin, GLYCEROL, ... | Authors: | Garfinkle, S.E, Florio, T.J, Sgourakis, N.G. | Deposit date: | 2022-09-20 | Release date: | 2023-12-06 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.11 Å) | Cite: | Structural principles of peptide-centric chimeric antigen receptor recognition guide therapeutic expansion. Sci Immunol, 8, 2023
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7SZO
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![BU of 7szo by Molmil](/molmil-images/mine/7szo) | Structure of a bacterial fimbrial tip containing FocH | Descriptor: | Chaperone protein FimC, FimF protein, FimG, ... | Authors: | Stenkamp, R.E, Le Trong, I, Aprikian, P, Sokurenko, E.V. | Deposit date: | 2021-11-29 | Release date: | 2021-12-29 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Recombinant FimH Adhesin Demonstrates How the Allosteric Catch Bond Mechanism Can Support Fast and Strong Bacterial Attachment in the Absence of Shear. J.Mol.Biol., 434, 2022
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6AVT
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![BU of 6avt by Molmil](/molmil-images/mine/6avt) | STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE (RT) TERNARY COMPLEX WITH A DOUBLE STRANDED DNA AND AN INCOMING D4TTP AT PH 9.5 WITH CROSS-LINKING TO FIRST BASE TEMPLATE OVERHANG | Descriptor: | 2',3'-DEHYDRO-2',3'-DEOXY-THYMIDINE 5'-TRIPHOSPHATE, DNA (27-MER), DNA (5'-D(*A*CP*AP*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*GP*CP*GP*CP*CP*(DDG))-3'), ... | Authors: | Martinez, S.E, Das, K, Arnold, E. | Deposit date: | 2017-09-04 | Release date: | 2018-08-15 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.603 Å) | Cite: | Structure of HIV-1 reverse transcriptase/d4TTP complex: Novel DNA cross-linking site and pH-dependent conformational changes. Protein Sci., 28, 2019
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4XIU
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![BU of 4xiu by Molmil](/molmil-images/mine/4xiu) | |
7Z5I
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![BU of 7z5i by Molmil](/molmil-images/mine/7z5i) | Transcription factor MYF5 bound to symmetrical site | Descriptor: | DNA (5'-D(P*AP*CP*GP*CP*GP*TP*CP*AP*GP*CP*TP*GP*AP*CP*GP*CP*GP*C)-3'), DNA (5'-D(P*GP*CP*GP*CP*GP*TP*CP*AP*GP*CP*TP*GP*AP*CP*GP*CP*GP*T)-3'), Myogenic factor 5 | Authors: | Morgunova, E, Popov, A, Yin, Y, Taipale, J. | Deposit date: | 2022-03-09 | Release date: | 2023-03-22 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Transcription factor MYF5 bound to symmetrical site To Be Published
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7AW0
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![BU of 7aw0 by Molmil](/molmil-images/mine/7aw0) | MerTK kinase domain in complex with purine inhibitor | Descriptor: | 2-(cyclopentyloxy)-9-(2,6-difluorobenzyl)-N-methyl-9H-purin-6-amine, Tyrosine-protein kinase Mer | Authors: | Schimpl, M, Nissink, J.W.M, Blackett, C, Clarke, M, Disch, J, Goldberg, K, Guilinger, J, Hennessy, E.J, Jetson, R, Ginkunja, D, Hardaker, E, Keefe, A, McCoull, W, McMurray, L, Collingwood, O, Overman, R, Pflug, A, Preston, M, Rawlins, P, Rivers, E, Smith, P, Underwood, E, Truman, C, Warwicker, J, Winter, J, Woodcock, S, Zhang, Y. | Deposit date: | 2020-11-06 | Release date: | 2021-03-03 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.893 Å) | Cite: | Generating Selective Leads for Mer Kinase Inhibitors-Example of a Comprehensive Lead-Generation Strategy. J.Med.Chem., 64, 2021
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7AW2
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![BU of 7aw2 by Molmil](/molmil-images/mine/7aw2) | MerTK kinase domain with type 1.5 inhibitor from a DNA-encoded library | Descriptor: | 5-(2'-chloro-[1,1'-biphenyl]-4-yl)-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-N-methyl-1,3,4-oxadiazol-2-amine, Tyrosine-protein kinase Mer | Authors: | Schimpl, M, Nissink, J.W.M, Blackett, C, Goldberg, K, Hennessy, E.J, Hardaker, E, McCoull, W, McMurray, L, Collingwood, O, Overman, R, Pflug, A, Preston, M, Rawlins, P, Rivers, E, Smith, P, Underwood, E, Truman, C, Warwicker, J, Winter, J, Woodcock, S. | Deposit date: | 2020-11-06 | Release date: | 2021-03-03 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Generating Selective Leads for Mer Kinase Inhibitors-Example of a Comprehensive Lead-Generation Strategy. J.Med.Chem., 64, 2021
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6OYV
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![BU of 6oyv by Molmil](/molmil-images/mine/6oyv) | |
7Z5K
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![BU of 7z5k by Molmil](/molmil-images/mine/7z5k) | |
7AW1
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![BU of 7aw1 by Molmil](/molmil-images/mine/7aw1) | MerTK kinase domain in complex with a type 2 inhibitor | Descriptor: | N-(6-(4-(3-(4-((5,6-dihydroimidazo[1,2-a]pyrazin-7(8H)-yl)methyl)-3-(trifluoromethyl)phenyl)ureido)phenoxy)pyrimidin-4-yl)cyclopropanecarboxamide, Tyrosine-protein kinase Mer | Authors: | Schimpl, M, Nissink, J.W.M, Blackett, C, Goldberg, K, Hennessy, E.J, Hardaker, E, McCoull, W, McMurray, L, Collingwood, O, Overman, R, Pflug, A, Preston, M, Rawlins, P, Rivers, E, Smith, P, Underwood, E, Truman, C, Warwicker, J, Winter, J, Woodcock, S. | Deposit date: | 2020-11-06 | Release date: | 2021-03-03 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Generating Selective Leads for Mer Kinase Inhibitors-Example of a Comprehensive Lead-Generation Strategy. J.Med.Chem., 64, 2021
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1BEN
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![BU of 1ben by Molmil](/molmil-images/mine/1ben) | INSULIN COMPLEXED WITH 4-HYDROXYBENZAMIDE | Descriptor: | 4-HYDROXYBENZAMIDE, CHLORIDE ION, HUMAN INSULIN, ... | Authors: | Smith, G.D, Ciszak, E, Pangborn, W. | Deposit date: | 1996-02-15 | Release date: | 1996-07-11 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | A novel complex of a phenolic derivative with insulin: structural features related to the T-->R transition. Protein Sci., 5, 1996
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7AVZ
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![BU of 7avz by Molmil](/molmil-images/mine/7avz) | MerTK kinase domain in complex with a bisaminopyrimidine inhibitor | Descriptor: | (R)-N2-(4-(cyclopropylmethoxy)-3,5-difluorophenyl)-5-(3-methylpiperazin-1-yl)-N4-(tetrahydro-2H-pyran-4-yl)pyrimidine-2,4-diamine, Tyrosine-protein kinase Mer | Authors: | Pflug, A, Nissink, J.W.M, Blackett, C, Goldberg, K, Hennessy, E.J, Hardaker, E, McCoull, W, McMurray, L, Collingwood, O, Overman, R, Preston, M, Rawlins, P, Rivers, E, Schimpl, M, Smith, P, Underwood, E, Truman, C, Warwicker, J, Winter, J, Woodcock, S. | Deposit date: | 2020-11-06 | Release date: | 2021-03-03 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.04 Å) | Cite: | Generating Selective Leads for Mer Kinase Inhibitors-Example of a Comprehensive Lead-Generation Strategy. J.Med.Chem., 64, 2021
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8FCC
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![BU of 8fcc by Molmil](/molmil-images/mine/8fcc) | HIV-1 Reverse Transcriptase in complex with 5-membered bicyclic core NNRTI | Descriptor: | 4-[(9-{4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}-8-oxo-8,9-dihydro-7H-purin-2-yl)amino]benzonitrile, L(+)-TARTARIC ACID, p51 RT, ... | Authors: | Lansdon, E.B. | Deposit date: | 2022-12-01 | Release date: | 2023-02-01 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.57 Å) | Cite: | Design and Synthesis of Novel HIV-1 NNRTIs with Bicyclic Cores and with Improved Physicochemical Properties. J.Med.Chem., 66, 2023
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7AW3
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![BU of 7aw3 by Molmil](/molmil-images/mine/7aw3) | MerTK kinase domain with type 1 inhibitor from a DNA-encoded library | Descriptor: | 2-(1-((5-chloro-1H-pyrrolo[2,3-b]pyridine-3-carboxamido)methyl)-2-azabicyclo[2.1.1]hexan-2-yl)-N-methyl-4-(trifluoromethyl)thiazole-5-carboxamide, Tyrosine-protein kinase Mer | Authors: | Schimpl, M, Nissink, J.W.M, Blackett, C, Goldberg, K, Hennessy, E.J, Hardaker, E, McCoull, W, McMurray, L, Collingwood, O, Overman, R, Pflug, A, Preston, M, Rawlins, P, Rivers, E, Smith, P, Underwood, E, Truman, C, Warwicker, J, Winter, J, Woodcock, S. | Deposit date: | 2020-11-06 | Release date: | 2021-03-03 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Generating Selective Leads for Mer Kinase Inhibitors-Example of a Comprehensive Lead-Generation Strategy. J.Med.Chem., 64, 2021
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8FCD
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![BU of 8fcd by Molmil](/molmil-images/mine/8fcd) | HIV-1 Reverse Transcriptase in complex with 6-membered bicyclic core NNRTI | Descriptor: | 4-[(8-{4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}-6-oxo-5,6,7,8-tetrahydropteridin-2-yl)amino]benzonitrile, L(+)-TARTARIC ACID, p51 RT, ... | Authors: | Lansdon, E.B. | Deposit date: | 2022-12-01 | Release date: | 2023-02-01 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.57 Å) | Cite: | Design and Synthesis of Novel HIV-1 NNRTIs with Bicyclic Cores and with Improved Physicochemical Properties. J.Med.Chem., 66, 2023
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8FCE
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![BU of 8fce by Molmil](/molmil-images/mine/8fce) | HIV-1 Reverse Transcriptase in complex with 7-membered bicyclic core NNRTI | Descriptor: | 4-[(9-{4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}-6-oxo-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b][1,4]diazepin-2-yl)amino]benzonitrile, L(+)-TARTARIC ACID, p51 RT, ... | Authors: | Lansdon, E.B. | Deposit date: | 2022-12-01 | Release date: | 2023-02-01 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.77 Å) | Cite: | Design and Synthesis of Novel HIV-1 NNRTIs with Bicyclic Cores and with Improved Physicochemical Properties. J.Med.Chem., 66, 2023
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7Q41
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![BU of 7q41 by Molmil](/molmil-images/mine/7q41) | Crystal structure of RCC1-Like domain 2 of ubiquitin ligase HERC2 in complex with DXDKDED motif of ubiquitin-protein ligase E3A (E6AP) | Descriptor: | CITRIC ACID, E3 ubiquitin-protein ligase HERC2, Ubiquitin-protein ligase E3A (E6AP) peptide | Authors: | Demenge, A, Howard, E, Cousido-Siah, A, Mitschler, A, Podjarny, A, McEwen, A.G, Trave, G. | Deposit date: | 2021-10-29 | Release date: | 2022-11-16 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (3.01478052 Å) | Cite: | Crystal structure of RCC1-Like domain 2 of ubiquitin ligase HERC2 in complex with DXDKDED motif of ubiquitin-protein ligase E3A (E6AP) To Be Published
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7Q45
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![BU of 7q45 by Molmil](/molmil-images/mine/7q45) | Crystal structure of RCC1-Like domain 2 of ubiquitin ligase HERC2 in complex with DXDKDED motif of Myelin transcription factor 1 | Descriptor: | CITRIC ACID, E3 ubiquitin-protein ligase HERC2, Myelin transcription factor 1 | Authors: | Demenge, A, Howard, E, Cousido-Siah, A, Mitschler, A, Podjarny, A, McEwen, A.G, Trave, G. | Deposit date: | 2021-10-29 | Release date: | 2022-11-16 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.09999585 Å) | Cite: | Crystal structure of RCC1-Like domain 2 of ubiquitin ligase HERC2 in complex with DXDKDED motif of Myelin transcription factor 1 To Be Published
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8F94
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![BU of 8f94 by Molmil](/molmil-images/mine/8f94) | |
5MG0
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![BU of 5mg0 by Molmil](/molmil-images/mine/5mg0) | Structure of PAS-GAF fragment of Deinococcus phytochrome by serial femtosecond crystallography | Descriptor: | 1,2-ETHANEDIOL, 3-[2-[(Z)-[3-(2-carboxyethyl)-5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-pyrrol-1-ium -2-ylidene]methyl]-5-[(Z)-[(3E)-3-ethylidene-4-methyl-5-oxidanylidene-pyrrolidin-2-ylidene]methyl]-4-methyl-1H-pyrrol-3- yl]propanoic acid, Bacteriophytochrome, ... | Authors: | Burgie, E.S, Fuller, F.D, Gul, S, Miller, M.D, Young, I.D, Brewster, A.S, Clinger, J, Aller, P, Braeuer, P, Hutchison, C, Alonso-Mori, R, Kern, J, Yachandra, V.K, Yano, J, Sauter, N.K, Phillips Jr, G.N, Vierstra, R.D, Orville, A.M. | Deposit date: | 2016-11-20 | Release date: | 2017-02-22 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Drop-on-demand sample delivery for studying biocatalysts in action at X-ray free-electron lasers. Nat. Methods, 14, 2017
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8FB4
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![BU of 8fb4 by Molmil](/molmil-images/mine/8fb4) | Structure of an alternating AT 16-mer bound by diamidine DB1476: 5'-GCTGGATATATCCAGC-3 | Descriptor: | 4,4'-(1H-benzimidazole-2,6-diyl)di(benzene-1-carboximidamide), CALCIUM ION, DNA (5'-D(*GP*CP*TP*GP*GP*AP*TP*AP*TP*AP*TP*CP*CP*AP*GP*C)-3') | Authors: | Terrell, J.R, Ogbonna, E.N, Wilson, W.D. | Deposit date: | 2022-11-29 | Release date: | 2023-02-22 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.49 Å) | Cite: | X-ray Structure Characterization of the Selective Recognition of AT Base Pair Sequences. Acs Bio Med Chem Au, 3, 2023
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6PPN
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![BU of 6ppn by Molmil](/molmil-images/mine/6ppn) | Structure of S. pombe Lsm2-8 with unprocessed U6 snRNA | Descriptor: | Mimic of unprocessed U6 snRNA, Probable U6 snRNA-associated Sm-like protein LSm3, Probable U6 snRNA-associated Sm-like protein LSm4, ... | Authors: | Montemayor, E.J, Butcher, S.E. | Deposit date: | 2019-07-08 | Release date: | 2020-06-17 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.91 Å) | Cite: | Molecular basis for the distinct cellular functions of the Lsm1-7 and Lsm2-8 complexes. Rna, 26, 2020
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