2DC2
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![BU of 2dc2 by Molmil](/molmil-images/mine/2dc2) | Solution Structure of PDZ Domain | Descriptor: | golgi associated PDZ and coiled-coil motif containing isoform b | Authors: | Li, X, Wu, J, Shi, Y. | Deposit date: | 2005-12-20 | Release date: | 2006-09-26 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | Solution structure of GOPC PDZ domain and its interaction with the C-terminal motif of neuroligin Protein Sci., 15, 2006
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6AJG
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![BU of 6ajg by Molmil](/molmil-images/mine/6ajg) | Crystal structure of mycolic acid transporter MmpL3 from Mycobacterium smegmatis complexed with SQ109 | Descriptor: | (CARBAMOYLMETHYL-CARBOXYMETHYL-AMINO)-ACETIC ACID, DODECYL-BETA-D-MALTOSIDE, Drug exporters of the RND superfamily-like protein,Endolysin, ... | Authors: | Zhang, B, Li, J, Yang, X.L, Wu, L.J, Yang, H.T, Rao, Z.H. | Deposit date: | 2018-08-27 | Release date: | 2018-12-26 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.604 Å) | Cite: | Crystal Structures of Membrane Transporter MmpL3, an Anti-TB Drug Target. Cell, 176, 2019
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6F7B
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![BU of 6f7b by Molmil](/molmil-images/mine/6f7b) | Crystal structure of the human Bub1 kinase domain in complex with BAY 1816032 | Descriptor: | 2-[3,5-bis(fluoranyl)-4-[[3-[5-methoxy-4-[(3-methoxypyridin-4-yl)amino]pyrimidin-2-yl]indazol-1-yl]methyl]phenoxy]ethanol, MAGNESIUM ION, Mitotic checkpoint serine/threonine-protein kinase BUB1 | Authors: | Holton, S.J, Siemeister, G, Mengel, A, Bone, W, Schroeder, J, Zitzmann-Kolbe, S, Briem, H, Fernandez-Montalvan, A, Prechtl, S, Moenning, U, von Ahsen, O, Johanssen, J, Cleve, A, Puetter, V, Hitchcock, M, von Nussbaum, F, Brands, M, Mumberg, D, Ziegelbauer, K. | Deposit date: | 2017-12-08 | Release date: | 2018-12-19 | Last modified: | 2021-05-05 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Inhibition of BUB1 Kinase by BAY 1816032 Sensitizes Tumor Cells toward Taxanes, ATR, and PARP InhibitorsIn VitroandIn Vivo. Clin.Cancer Res., 25, 2019
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7NR3
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![BU of 7nr3 by Molmil](/molmil-images/mine/7nr3) | Discovery of ASTX029, a clinical candidate which modulates the phosphorylation and catalytic activity of ERK1/2 | Descriptor: | 6-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-2-[2-oxidanylidene-2-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)ethyl]-3~{H}-isoindol-1-one, Mitogen-activated protein kinase 1, SULFATE ION | Authors: | O'Reilly, M. | Deposit date: | 2021-03-02 | Release date: | 2021-10-06 | Method: | X-RAY DIFFRACTION (1.897 Å) | Cite: | Discovery of ASTX029, A Clinical Candidate Which Modulates the Phosphorylation and Catalytic Activity of ERK1/2. J.Med.Chem., 64, 2021
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7NQQ
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![BU of 7nqq by Molmil](/molmil-images/mine/7nqq) | |
7NR9
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![BU of 7nr9 by Molmil](/molmil-images/mine/7nr9) | |
7NR5
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![BU of 7nr5 by Molmil](/molmil-images/mine/7nr5) | Discovery of ASTX029, a clinical candidate which modulates the phosphorylation and catalytic activity of ERK1/2 | Descriptor: | (2~{R})-2-[5-[5-chloranyl-2-[(2-methyl-1,2,3-triazol-4-yl)amino]pyrimidin-4-yl]-3-oxidanylidene-1~{H}-isoindol-2-yl]-~{N}-[(1~{S})-1-(3-fluoranyl-5-methoxy-phenyl)-2-oxidanyl-ethyl]propanamide, Mitogen-activated protein kinase 1, SULFATE ION | Authors: | O'Reilly, M, Cleasby, A. | Deposit date: | 2021-03-03 | Release date: | 2021-10-06 | Method: | X-RAY DIFFRACTION (1.766 Å) | Cite: | Discovery of ASTX029, A Clinical Candidate Which Modulates the Phosphorylation and Catalytic Activity of ERK1/2. J.Med.Chem., 64, 2021
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7NR8
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![BU of 7nr8 by Molmil](/molmil-images/mine/7nr8) | Discovery of ASTX029, a clinical candidate which modulates the phosphorylation and catalytic activity of ERK1/2 | Descriptor: | (2~{R})-2-[5-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-3-oxidanylidene-1~{H}-isoindol-2-yl]-~{N}-[(1~{S})-1-[6-(4-methylpiperazin-1-yl)pyridin-2-yl]-2-oxidanyl-ethyl]propanamide, 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, ... | Authors: | O'Reilly, M, Cleasby, A. | Deposit date: | 2021-03-03 | Release date: | 2021-10-06 | Method: | X-RAY DIFFRACTION (1.627 Å) | Cite: | Discovery of ASTX029, A Clinical Candidate Which Modulates the Phosphorylation and Catalytic Activity of ERK1/2. J.Med.Chem., 64, 2021
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7NQW
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![BU of 7nqw by Molmil](/molmil-images/mine/7nqw) | Discovery of ASTX029, a clinical candidate which modulates the phosphorylation and catalytic activity of ERK1/2 | Descriptor: | 6-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-2-[2-oxidanylidene-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethyl]-3~{H}-isoindol-1-one, DIMETHYL SULFOXIDE, Mitogen-activated protein kinase 1, ... | Authors: | O'Reilly, M. | Deposit date: | 2021-03-02 | Release date: | 2021-10-06 | Method: | X-RAY DIFFRACTION (1.775 Å) | Cite: | Discovery of ASTX029, A Clinical Candidate Which Modulates the Phosphorylation and Catalytic Activity of ERK1/2. J.Med.Chem., 64, 2021
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7EBK
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7EBJ
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![BU of 7ebj by Molmil](/molmil-images/mine/7ebj) | Apo structure of the mouse Trim66 PHD-Bromo dual domain | Descriptor: | Tripartite motif-containing protein 66, ZINC ION | Authors: | Wang, Z, Jiang, J. | Deposit date: | 2021-03-09 | Release date: | 2022-03-09 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | A TRIM66/DAX1/Dux axis suppresses the totipotent 2-cell-like state in murine embryonic stem cells. Cell Stem Cell, 29, 2022
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8JEL
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![BU of 8jel by Molmil](/molmil-images/mine/8jel) | Crystal structure of TIGIT in complexed with Ociperlimab, crystal form I | Descriptor: | T-cell immunoreceptor with Ig and ITIM domains, antibody heavy chain, antibody light chain | Authors: | Sun, J, Zhang, X.X, Song, J. | Deposit date: | 2023-05-16 | Release date: | 2024-02-28 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Structural insights into the unique pH-responsive characteristics of the anti-TIGIT therapeutic antibody Ociperlimab. Structure, 32, 2024
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8JEQ
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![BU of 8jeq by Molmil](/molmil-images/mine/8jeq) | Crystal structure of Tiragolumab | Descriptor: | antibody heavy chain, antibody light chain | Authors: | Sun, J, Zhang, X.X, Song, J. | Deposit date: | 2023-05-16 | Release date: | 2024-02-28 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Structural insights into the unique pH-responsive characteristics of the anti-TIGIT therapeutic antibody Ociperlimab. Structure, 32, 2024
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8JEO
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![BU of 8jeo by Molmil](/molmil-images/mine/8jeo) | Crystal structure of TIGIT in complexed with Tiragolumab | Descriptor: | T-cell immunoreceptor with Ig and ITIM domains, antibody heavy chain, antibody light chain | Authors: | Sun, J, Zhang, X.X, Song, J. | Deposit date: | 2023-05-16 | Release date: | 2024-02-28 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.06 Å) | Cite: | Structural insights into the unique pH-responsive characteristics of the anti-TIGIT therapeutic antibody Ociperlimab. Structure, 32, 2024
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8JEN
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![BU of 8jen by Molmil](/molmil-images/mine/8jen) | Crystal structure of TIGIT in complexed with Ociperlimab, crystal form II | Descriptor: | T-cell immunoreceptor with Ig and ITIM domains, antibody heavy chain, antibody light chain | Authors: | Sun, J, Zhang, X.X, Song, J. | Deposit date: | 2023-05-16 | Release date: | 2024-02-28 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.71 Å) | Cite: | Structural insights into the unique pH-responsive characteristics of the anti-TIGIT therapeutic antibody Ociperlimab. Structure, 32, 2024
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8JEP
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![BU of 8jep by Molmil](/molmil-images/mine/8jep) | Crystal structure of Ociperlimab | Descriptor: | antibody heavy chain, antibody light chain | Authors: | Sun, J, Zhang, X.X, Song, J. | Deposit date: | 2023-05-16 | Release date: | 2024-02-28 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural insights into the unique pH-responsive characteristics of the anti-TIGIT therapeutic antibody Ociperlimab. Structure, 32, 2024
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8IYX
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![BU of 8iyx by Molmil](/molmil-images/mine/8iyx) | Cryo-EM structure of the GPR34 receptor in complex with the antagonist YL-365 | Descriptor: | 1-[4-(3-chlorophenyl)phenyl]carbonyl-4-[2-(4-phenylmethoxyphenyl)ethanoylamino]piperidine-4-carboxylic acid, Probable G-protein coupled receptor 34,YL-365 | Authors: | Jia, G.W, Wang, X, Zhang, C.B, Dong, H.H, Su, Z.M. | Deposit date: | 2023-04-06 | Release date: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (3.34 Å) | Cite: | Cryo-EM structures of human GPR34 enable the identification of selective antagonists. Proc.Natl.Acad.Sci.USA, 120, 2023
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6O8T
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![BU of 6o8t by Molmil](/molmil-images/mine/6o8t) | Syn-safencin 96 | Descriptor: | Circular bacteriocin, circularin A/uberolysin family | Authors: | Fields, F.R, Lee, S.W. | Deposit date: | 2019-03-11 | Release date: | 2020-04-15 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Synthetic Antimicrobial Peptide Tuning Permits Membrane Disruption and Interpeptide Synergy. Acs Pharmacol Transl Sci, 3, 2020
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5DD0
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![BU of 5dd0 by Molmil](/molmil-images/mine/5dd0) | Crystal structures in an anti-HIV antibody lineage from immunization of Rhesus macaques | Descriptor: | ANTI-HIV ANTIBODY DH570 FAB HEAVY CHAIN, ANTI-HIV ANTIBODY DH570 FAB HEAVY LIGHT, oligo peptide | Authors: | Zhang, R, Verkoczy, L, Wiehe, K, Alam, S.M, Nicely, N.I, Santra, S, Bradley, T, Pemble, C, Gao, F, Montefiori, D.C, Bouton-Verville, H, Kelsoe, G, Parks, R, Foulger, A, Tomaras, G, Keple, T.B, Moody, M.A, Liao, H.-X, Haynes, B.F. | Deposit date: | 2015-08-24 | Release date: | 2016-05-11 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.488 Å) | Cite: | Initiation of immune tolerance-controlled HIV gp41 neutralizing B cell lineages. Sci Transl Med, 8, 2016
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7ACF
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![BU of 7acf by Molmil](/molmil-images/mine/7acf) | CRYSTAL STRUCTURE OF CRYSTAL FORM 2 OF AN ACTIVE KRAS G12D (GPPCP) DIMER IN COMPLEX WITH BI-5747 | Descriptor: | (3~{S})-5-oxidanyl-3-[2-[[6-[[3-[(1~{S})-6-oxidanyl-3-oxidanylidene-1,2-dihydroisoindol-1-yl]-1~{H}-indol-2-yl]methylamino]hexylamino]methyl]-1~{H}-indol-3-yl]-2,3-dihydroisoindol-1-one, GTPase KRas, MAGNESIUM ION, ... | Authors: | Kessler, D. | Deposit date: | 2020-09-10 | Release date: | 2020-11-18 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.91 Å) | Cite: | Reply to Tran et al.: Dimeric KRAS protein-protein interaction stabilizers. Proc. Natl. Acad. Sci. U.S.A., 117, 2020
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3E88
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![BU of 3e88 by Molmil](/molmil-images/mine/3e88) | Crystal structures of the kinase domain of AKT2 in complex with ATP-competitive inhibitors | Descriptor: | 4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-6-{[(2R)-2-amino-3-phenylpropyl]oxy}-1-ethyl-1H-imidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol, Glycogen synthase kinase-3 beta peptide, RAC-beta serine/threonine-protein kinase | Authors: | Concha, N.O, Elkins, P.A, Smallwood, A, Ward, P. | Deposit date: | 2008-08-19 | Release date: | 2008-10-14 | Last modified: | 2021-10-20 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Aminofurazans as potent inhibitors of AKT kinase Bioorg.Med.Chem.Lett., 19, 2009
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5K08
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![BU of 5k08 by Molmil](/molmil-images/mine/5k08) | RecA mini intein-Zeise's salt complex | Descriptor: | 3,3',3''-phosphanetriyltripropanoic acid, RecA mini intein, SULFATE ION, ... | Authors: | Li, Z, Li, H.M. | Deposit date: | 2016-05-17 | Release date: | 2016-09-21 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.401 Å) | Cite: | Structural insights into protein splicing inhibition by platinum therapeutics as potential anti-microbials To be published
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5DD1
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![BU of 5dd1 by Molmil](/molmil-images/mine/5dd1) | Crystal structures in an anti-HIV antibody lineage from immunization of Rhesus macaques | Descriptor: | ANTI-HIV ANTIBODY DH570 FAB HEAVY CHAIN, ANTI-HIV ANTIBODY DH570 FAB LIGHT CHAIN | Authors: | Zhang, R, Verkoczy, L, Wiehe, K, Alam, S.M, Nicely, N.I, Santra, S, Bradley, T, Pemble, C, Gao, F, Montefiori, D.C, Bouton-Verville, H, Kelsoe, G, Parks, R, Foulger, A, Tomaras, G, Keple, T.B, Moody, M.A, Liao, H.-X, Haynes, B.F. | Deposit date: | 2015-08-24 | Release date: | 2016-05-11 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.597 Å) | Cite: | Initiation of immune tolerance-controlled HIV gp41 neutralizing B cell lineages. Sci Transl Med, 8, 2016
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5ED3
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![BU of 5ed3 by Molmil](/molmil-images/mine/5ed3) | crystal structure of human Hint1 complexing with AP5A | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ADENOSINE MONOPHOSPHATE, Histidine triad nucleotide-binding protein 1 | Authors: | Wang, J, Fang, P, Guo, M. | Deposit date: | 2015-10-20 | Release date: | 2017-01-25 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.309 Å) | Cite: | Second messenger Ap4A polymerizes target protein HINT1 to transduce signals in Fc epsilon RI-activated mast cells. Nat Commun, 10, 2019
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1PZV
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![BU of 1pzv by Molmil](/molmil-images/mine/1pzv) | Crystal structures of two UBC (E2) enzymes of the ubiquitin-conjugating system in Caenorhabditis elegans | Descriptor: | Probable ubiquitin-conjugating enzyme E2-19 kDa | Authors: | Schormann, N, Lin, G, Li, S, Symersky, J, Qiu, S, Finley, J, Luo, D, Stanton, A, Carson, M, Luo, M, Southeast Collaboratory for Structural Genomics (SECSG) | Deposit date: | 2003-07-14 | Release date: | 2003-07-22 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.52 Å) | Cite: | Crystal structures of two UBC (E2) enzymes of the ubiquitin-conjugating system in Caenorhabditis elegans To be Published
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