8FVK
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![BU of 8fvk by Molmil](/molmil-images/mine/8fvk) | First bromodomain of BRD4 liganded with CCS-1477 | Descriptor: | (6S)-1-[3,4-bis(fluoranyl)phenyl]-6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-methoxycyclohexyl)benzimidazol-2-yl]piperidin-2-one, 1,2-ETHANEDIOL, Bromodomain-containing protein 4 | Authors: | Schonbrunn, E, Bikowitz, M. | Deposit date: | 2023-01-19 | Release date: | 2024-02-07 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (1.53 Å) | Cite: | Group 3 medulloblastoma transcriptional networks collapse under domain specific EP300/CBP inhibition. Nat Commun, 15, 2024
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6LYX
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![BU of 6lyx by Molmil](/molmil-images/mine/6lyx) | Crystal structure of oxidized ACHT1 | Descriptor: | GLYCEROL, SULFATE ION, Thioredoxin-like 2-1, ... | Authors: | Wang, J.C, Pan, W.M, Cai, W.G, Wang, M.Z, Zhang, M. | Deposit date: | 2020-02-16 | Release date: | 2020-05-13 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.696 Å) | Cite: | Structural insight into the biological functions of Arabidopsis thaliana ACHT1. Int.J.Biol.Macromol., 158, 2020
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8FXA
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![BU of 8fxa by Molmil](/molmil-images/mine/8fxa) | Bromodomain of CBP liganded with iCBP4 | Descriptor: | (6S)-1-[3,5-bis(trifluoromethyl)phenyl]-6-{(5M)-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1s,4R)-4-methoxycyclohexyl]-1H-benzimidazol-2-yl}piperidin-2-one, 1,2-ETHANEDIOL, CREB-binding protein | Authors: | Schonbrunn, E, Bikowitz, M. | Deposit date: | 2023-01-24 | Release date: | 2024-02-07 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Group 3 medulloblastoma transcriptional networks collapse under domain specific EP300/CBP inhibition. Nat Commun, 15, 2024
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8FXO
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![BU of 8fxo by Molmil](/molmil-images/mine/8fxo) | Bromodomain of CBP liganded with iCBP8 | Descriptor: | (6S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-{(5M)-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1s,4R)-4-methoxycyclohexyl]-1H-benzimidazol-2-yl}piperidin-2-one, CREB-binding protein | Authors: | Schonbrunn, E, Bikowitz, M. | Deposit date: | 2023-01-25 | Release date: | 2024-02-07 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | Group 3 medulloblastoma transcriptional networks collapse under domain specific EP300/CBP inhibition. Nat Commun, 15, 2024
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7PON
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7PNO
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![BU of 7pno by Molmil](/molmil-images/mine/7pno) | C terminal domain of Nipah Virus Phosphoprotein fused to the Ntail alpha more of the Nucleoprotein. | Descriptor: | Phosphoprotein, alpha MoRE of Nipah virus Nucleoprotein tail | Authors: | Bourhis, J.M, Yabukaski, F, Tarbouriech, N, Jamin, M. | Deposit date: | 2021-09-07 | Release date: | 2022-04-20 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2.79 Å) | Cite: | Structural Dynamics of the C-terminal X Domain of Nipah and Hendra Viruses Controls the Attachment to the C-terminal Tail of the Nucleocapsid Protein. J.Mol.Biol., 434, 2022
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6MFY
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![BU of 6mfy by Molmil](/molmil-images/mine/6mfy) | Crystal structure of a 5-domain construct of LgrA in the substrate donation state | Descriptor: | 4'-PHOSPHOPANTETHEINE, Linear gramicidin synthase subunit A, PHOSPHATE ION | Authors: | Reimer, J.M, Eivaskhani, M, Harb, I, Schmeing, T.M. | Deposit date: | 2018-09-12 | Release date: | 2019-11-20 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structures of a dimodular nonribosomal peptide synthetase reveal conformational flexibility. Science, 366, 2019
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7NAZ
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![BU of 7naz by Molmil](/molmil-images/mine/7naz) | TPR-rich domain of EccA3 from M. smegmatis | Descriptor: | 1,4-DIETHYLENE DIOXIDE, ESX-3 secretion system protein EccA3, GLYCEROL, ... | Authors: | Crosskey, T.D, Wilmanns, M. | Deposit date: | 2021-01-25 | Release date: | 2022-03-02 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structure of TPR-rich domain of M. smegmatis EccA3 To Be Published
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6MBI
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7NKW
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![BU of 7nkw by Molmil](/molmil-images/mine/7nkw) | Endothiapepsin structure obtained at 298K after a soaking with fragment JFD03909 from a dataset collected with JUNGFRAU detector | Descriptor: | DIMETHYL SULFOXIDE, Endothiapepsin | Authors: | Engilberge, S, Huang, C.-Y, Leonarski, F, Wojdyla, J.A, Marsh, M, Olieric, V, Wang, M. | Deposit date: | 2021-02-19 | Release date: | 2022-03-02 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.27 Å) | Cite: | Endothiapepsin structure obtained at 298K after a soaking with fragment JFD03909 from a dataset collected with JUNGFRAU detector To Be Published
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8G6T
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![BU of 8g6t by Molmil](/molmil-images/mine/8g6t) | Bromodomain of CBP liganded with inhibitor iCBP2 | Descriptor: | (6S)-1-(3,4-dibromophenyl)-6-{(5M)-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1s,4R)-4-methoxycyclohexyl]-1H-benzimidazol-2-yl}piperidin-2-one, CREB-binding protein, NICKEL (II) ION | Authors: | Schonbrunn, E, Bikowitz, M. | Deposit date: | 2023-02-15 | Release date: | 2024-02-21 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Group 3 medulloblastoma transcriptional networks collapse under domain specific EP300/CBP inhibition. Nat Commun, 15, 2024
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1OMH
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![BU of 1omh by Molmil](/molmil-images/mine/1omh) | Conjugative Relaxase TrwC in complex with OriT Dna. Metal-free structure. | Descriptor: | DNA OLIGONUCLEOTIDE, SULFATE ION, trwC protein | Authors: | Guasch, A, Lucas, M, Moncalian, G, Cabezas, M, Perez-Luque, R, Gomis-Ruth, F.X, de la Cruz, F, Coll, M. | Deposit date: | 2003-02-25 | Release date: | 2003-11-25 | Last modified: | 2017-10-11 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Recognition and processing of the origin of transfer DNA by conjugative relaxase TrwC. Nat.Struct.Biol., 10, 2003
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6MFX
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![BU of 6mfx by Molmil](/molmil-images/mine/6mfx) | Crystal structure of a 4-domain construct of a mutant of LgrA in the substrate donation state | Descriptor: | DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, Linear gramicidin synthase subunit A, N-[2-(acetylamino)ethyl]-N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alaninamide, ... | Authors: | Reimer, J.M, Eivaskhani, M, Schmeing, T.M. | Deposit date: | 2018-09-12 | Release date: | 2019-11-20 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structures of a dimodular nonribosomal peptide synthetase reveal conformational flexibility. Science, 366, 2019
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8GQY
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![BU of 8gqy by Molmil](/molmil-images/mine/8gqy) | CryoEM structure of pentameric MotA from Aquifex aeolicus | Descriptor: | Motility protein A | Authors: | Nishikino, T, Takekawa, N, Kishikawa, J, Hirose, M, Onoe, S, Kato, T, Imada, K. | Deposit date: | 2022-08-31 | Release date: | 2022-10-26 | Last modified: | 2024-07-03 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Structure of MotA, a flagellar stator protein, from hyperthermophile. Biochem.Biophys.Res.Commun., 631, 2022
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6MFZ
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![BU of 6mfz by Molmil](/molmil-images/mine/6mfz) | Crystal structure of dimodular LgrA in a condensation state | Descriptor: | 4'-PHOSPHOPANTETHEINE, Linear gramicidin synthase subunit A | Authors: | Reimer, J.M, Eivaskhani, M, Harb, I, Schmeing, T.M. | Deposit date: | 2018-09-12 | Release date: | 2019-11-20 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (6 Å) | Cite: | Structures of a dimodular nonribosomal peptide synthetase reveal conformational flexibility. Science, 366, 2019
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6YAS
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![BU of 6yas by Molmil](/molmil-images/mine/6yas) | HYDROXYNITRILE LYASE FROM HEVEA BRASILIENSIS, ROOM TEMPERATURE STRUCTURE | Descriptor: | PROTEIN (HYDROXYNITRILE LYASE), SULFATE ION | Authors: | Zuegg, J, Wagner, U.G, Gugganig, M, Kratky, C. | Deposit date: | 1999-03-15 | Release date: | 1999-10-13 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Three-dimensional structures of enzyme-substrate complexes of the hydroxynitrile lyase from Hevea brasiliensis. Protein Sci., 8, 1999
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6LKH
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![BU of 6lkh by Molmil](/molmil-images/mine/6lkh) | Two-component system protein mediate signal transduction | Descriptor: | 6-O-phosphono-alpha-D-glucopyranose, ABC transporter, solute-binding protein, ... | Authors: | Wang, M, Tao, Y. | Deposit date: | 2019-12-19 | Release date: | 2021-03-17 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.534 Å) | Cite: | Interface switch mediates signal transmission in a two-component system. Proc.Natl.Acad.Sci.USA, 117, 2020
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4QM1
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![BU of 4qm1 by Molmil](/molmil-images/mine/4qm1) | Crystal Structure of the Inosine 5'-monophosphate Dehydrogenase with an Internal Deletion of the CBS Domain from Bacillus anthracis str. Ames complexed with inhibitor D67 | Descriptor: | 2-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)-N-(6,7,8,9-tetrahydrodibenzo[b,d]furan-2-yl)acetamide, INOSINIC ACID, Inosine-5'-monophosphate dehydrogenase | Authors: | Kim, Y, Makowska-Grzyska, M, Gu, M, Mandapati, K, Gollapalli, D, Gorla, S.K, Zhang, M, Hedstrom, L, Anderson, W.F, Joachimiak, A, CSGID, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2014-06-14 | Release date: | 2014-07-23 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.7964 Å) | Cite: | Crystal Structure of the Inosine 5'-monophosphate Dehydrogenase with an Internal Deletion of the CBS Domain from Bacillus anthracis str. Ames complexed with inhibitor D67 To be Published, 2014
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4Q0W
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![BU of 4q0w by Molmil](/molmil-images/mine/4q0w) | he catalytic core of Rad2 in complex with DNA substrate (complex II) | Descriptor: | CALCIUM ION, DNA (5'-D(*TP*TP*AP*GP*GP*TP*GP*GP*AP*CP*GP*GP*AP*TP*CP*AP*TP*T)-3'), DNA (5'-D(*TP*TP*TP*GP*AP*TP*CP*CP*GP*TP*CP*CP*AP*CP*CP*TP*TP*T)-3'), ... | Authors: | Mietus, M, Nowak, E, Jaciuk, M, Kustosz, P, Nowotny, M. | Deposit date: | 2014-04-02 | Release date: | 2014-08-27 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal structure of the catalytic core of Rad2: insights into the mechanism of substrate binding. Nucleic Acids Res., 42, 2014
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5M4T
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![BU of 5m4t by Molmil](/molmil-images/mine/5m4t) | |
1OSB
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![BU of 1osb by Molmil](/molmil-images/mine/1osb) | Conjugative Relaxase TrwC in complex with OriT Dna. Metal-free structure. | Descriptor: | Dna oligonucleotide, SULFATE ION, TrwC protein | Authors: | Guasch, A, Lucas, M, Moncalian, G, Cabezas, M, Perez-Luque, R, Gomis-Ruth, F.X, de la Cruz, F, Coll, M. | Deposit date: | 2003-03-19 | Release date: | 2003-11-25 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Recognition and processing of the origin of transfer DNA by conjugative relaxase TrwC. Nat.Struct.Biol., 10, 2003
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5Y5M
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![BU of 5y5m by Molmil](/molmil-images/mine/5y5m) | SFX structure of cytochrome P450nor: a complete dark data without pump laser (resting state) | Descriptor: | NADP nitrous oxide-forming nitric oxide reductase, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Tosha, T, Nomura, T, Nishida, T, Saeki, N, Okubayashi, K, Yamagiwa, R, Sugahara, M, Nakane, T, Yamashita, K, Hirata, K, Ueno, G, Kimura, T, Hisano, T, Muramoto, K, Sawai, H, Takeda, H, Mizohata, E, Yamashita, A, Kanematsu, Y, Takano, Y, Nango, E, Tanaka, R, Nureki, O, Ikemoto, Y, Murakami, H, Owada, S, Tono, K, Yabashi, M, Yamamoto, M, Ago, H, Iwata, S, Sugimoto, H, Shiro, Y, Kubo, M. | Deposit date: | 2017-08-09 | Release date: | 2018-08-08 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Capturing an initial intermediate during the P450nor enzymatic reaction using time-resolved XFEL crystallography and caged-substrate. Nat Commun, 8, 2017
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8GQR
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![BU of 8gqr by Molmil](/molmil-images/mine/8gqr) | Crystal structure of VioD with FAD | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, SULFATE ION, ... | Authors: | Ran, T, Wang, W, Xu, M. | Deposit date: | 2022-08-30 | Release date: | 2023-03-29 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural basis for substrate binding and catalytic mechanism of the key enzyme VioD in the violacein synthesis pathway. Proteins, 91, 2023
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5M6U
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![BU of 5m6u by Molmil](/molmil-images/mine/5m6u) | HUMAN PI3KDELTA IN COMPLEX WITH LASW1579 | Descriptor: | 4-azanyl-6-[[(1~{S})-1-(4-oxidanylidene-3-phenyl-pyrrolo[2,1-f][1,2,4]triazin-2-yl)ethyl]amino]pyrimidine-5-carbonitrile, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | Authors: | Segarra, V, Hernandez, B, Lozoya, E, Blaesse, M, Hoeppner, S, Jestel, A. | Deposit date: | 2016-10-26 | Release date: | 2017-02-01 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Discovery of a Potent, Selective, and Orally Available PI3K delta Inhibitor for the Treatment of Inflammatory Diseases. ACS Med Chem Lett, 8, 2017
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1FKV
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![BU of 1fkv by Molmil](/molmil-images/mine/1fkv) | RECOMBINANT GOAT ALPHA-LACTALBUMIN T29I | Descriptor: | ALPHA-LACTALBUMIN, CALCIUM ION | Authors: | Horii, K, Matsushima, M, Tsumoto, K, Kumagai, I. | Deposit date: | 2000-08-10 | Release date: | 2001-02-14 | Last modified: | 2021-11-03 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Contribution of Thr29 to the thermodynamic stability of goat alpha-lactalbumin as determined by experimental and theoretical approaches. Proteins, 45, 2001
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