7B9H
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![BU of 7b9h by Molmil](/molmil-images/mine/7b9h) | Crystal structure of the PDE4D catalytic domain in complex with GEBR-42a | Descriptor: | 1,2-ETHANEDIOL, 3-[(~{E})-1-(3-cyclopentyloxy-4-methoxy-phenyl)ethylideneamino]oxy-1-morpholin-4-yl-propan-1-one, MAGNESIUM ION, ... | Authors: | Torretta, A, Abbate, S, Parisini, E. | Deposit date: | 2020-12-14 | Release date: | 2021-06-30 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Design, synthesis, biological evaluation and structural characterization of novel GEBR library PDE4D inhibitors. Eur.J.Med.Chem., 223, 2021
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2WPD
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![BU of 2wpd by Molmil](/molmil-images/mine/2wpd) | The Mg.ADP inhibited state of the yeast F1c10 ATP synthase | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP SYNTHASE SUBUNIT 9, ... | Authors: | Dautant, A, Velours, J, Giraud, M.-F. | Deposit date: | 2009-08-05 | Release date: | 2010-07-07 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3.432 Å) | Cite: | Crystal Structure of the Mg.Adp-Inhibited State of the Yeast F1C10-ATP Synthase. J.Biol.Chem., 285, 2010
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6ESF
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![BU of 6esf by Molmil](/molmil-images/mine/6esf) | Nucleosome : Class 1 | Descriptor: | DNA (147-MER), Histone H2A, Histone H2B 1.1, ... | Authors: | Bilokapic, S, Halic, M. | Deposit date: | 2017-10-20 | Release date: | 2017-12-20 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (3.7 Å) | Cite: | Histone octamer rearranges to adapt to DNA unwrapping. Nat. Struct. Mol. Biol., 25, 2018
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6ESG
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![BU of 6esg by Molmil](/molmil-images/mine/6esg) | Nucleosome breathing : Class 2 | Descriptor: | DNA (141-MER), Histone H2A, Histone H2B 1.1, ... | Authors: | Bilokapic, S, Halic, M. | Deposit date: | 2017-10-20 | Release date: | 2017-12-20 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (5.4 Å) | Cite: | Histone octamer rearranges to adapt to DNA unwrapping. Nat. Struct. Mol. Biol., 25, 2018
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6ESH
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![BU of 6esh by Molmil](/molmil-images/mine/6esh) | Nucleosome breathing : Class 3 | Descriptor: | DNA (137-MER), Histone H2A, Histone H2B 1.1, ... | Authors: | Bilokapic, S, Halic, M. | Deposit date: | 2017-10-20 | Release date: | 2017-12-20 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (5.1 Å) | Cite: | Histone octamer rearranges to adapt to DNA unwrapping. Nat. Struct. Mol. Biol., 25, 2018
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6ESI
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![BU of 6esi by Molmil](/molmil-images/mine/6esi) | Nucleosome breathing : Class 4 | Descriptor: | DNA (133-MER), Histone H2A, Histone H2B 1.1, ... | Authors: | Bilokapic, S, Halic, M. | Deposit date: | 2017-10-20 | Release date: | 2017-12-20 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (6.3 Å) | Cite: | Histone octamer rearranges to adapt to DNA unwrapping. Nat. Struct. Mol. Biol., 25, 2018
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6E2M
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![BU of 6e2m by Molmil](/molmil-images/mine/6e2m) | ASK1 kinase domain complex with inhibitor | Descriptor: | Mitogen-activated protein kinase kinase kinase 5, N-[3-(4-methyl-4H-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide | Authors: | Lansdon, E.B. | Deposit date: | 2018-07-11 | Release date: | 2018-09-19 | Last modified: | 2018-10-17 | Method: | X-RAY DIFFRACTION (2.253 Å) | Cite: | ASK1 contributes to fibrosis and dysfunction in models of kidney disease. J. Clin. Invest., 128, 2018
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6E2N
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![BU of 6e2n by Molmil](/molmil-images/mine/6e2n) | ASK1 kinase domain complex with inhibitor | Descriptor: | Mitogen-activated protein kinase kinase kinase 5, N-[3-(4-cyclopropyl-4H-1,2,4-triazol-3-yl)phenyl][3,4'-bipyridine]-2'-carboxamide | Authors: | Lansdon, E.B. | Deposit date: | 2018-07-11 | Release date: | 2018-09-19 | Last modified: | 2018-10-17 | Method: | X-RAY DIFFRACTION (2.098 Å) | Cite: | ASK1 contributes to fibrosis and dysfunction in models of kidney disease. J. Clin. Invest., 128, 2018
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6E2O
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![BU of 6e2o by Molmil](/molmil-images/mine/6e2o) | ASK1 kinase domain complex with inhibitor | Descriptor: | 4-(4-cyclopropyl-1H-imidazol-1-yl)-N-[3-(4-cyclopropyl-4H-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide, Mitogen-activated protein kinase kinase kinase 5 | Authors: | Lansdon, E.B. | Deposit date: | 2018-07-11 | Release date: | 2018-09-19 | Last modified: | 2018-10-17 | Method: | X-RAY DIFFRACTION (2.389 Å) | Cite: | ASK1 contributes to fibrosis and dysfunction in models of kidney disease. J. Clin. Invest., 128, 2018
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3FC2
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![BU of 3fc2 by Molmil](/molmil-images/mine/3fc2) | PLK1 in complex with BI6727 | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Bader, G. | Deposit date: | 2008-11-21 | Release date: | 2009-05-12 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | BI 6727, A Polo-like Kinase Inhibitor with Improved Pharmacokinetic Profile and Broad Antitumor Activity. Clin.Cancer Res., 15, 2009
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1Y93
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![BU of 1y93 by Molmil](/molmil-images/mine/1y93) | Crystal structure of the catalytic domain of human MMP12 complexed with acetohydroxamic acid at atomic resolution | Descriptor: | ACETOHYDROXAMIC ACID, CALCIUM ION, Macrophage metalloelastase, ... | Authors: | Bertini, I, Calderone, V, Cosenza, M, Fragai, M, Lee, Y.-M, Luchinat, C, Mangani, S, Terni, B, Turano, P. | Deposit date: | 2004-12-14 | Release date: | 2005-04-26 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.03 Å) | Cite: | Conformational variability of matrix metalloproteinases: Beyond a single 3D structure Proc.Natl.Acad.Sci.Usa, 102, 2005
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1RMZ
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![BU of 1rmz by Molmil](/molmil-images/mine/1rmz) | Crystal structure of the catalytic domain of human MMP12 complexed with the inhibitor NNGH at 1.3 A resolution | Descriptor: | CALCIUM ION, Macrophage metalloelastase, N-ISOBUTYL-N-[4-METHOXYPHENYLSULFONYL]GLYCYL HYDROXAMIC ACID, ... | Authors: | Bertini, I, Calderone, V, Fragai, M, Luchinat, C, Mangani, S, Terni, B. | Deposit date: | 2003-11-28 | Release date: | 2004-12-14 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.34 Å) | Cite: | Conformational variability of matrix metalloproteinases: beyond a single 3D structure. Proc.Natl.Acad.Sci.Usa, 102, 2005
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6V2F
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![BU of 6v2f by Molmil](/molmil-images/mine/6v2f) | Crystal structure of the HIV capsid hexamer bound to the small molecule long-acting inhibitor, GS-6207 | Descriptor: | HIV-1 capsid, N-[(1S)-1-(3-{4-chloro-3-[(methylsulfonyl)amino]-1-(2,2,2-trifluoroethyl)-1H-indazol-7-yl}-6-[3-methyl-3-(methylsulfonyl)but-1-yn-1-yl]pyridin-2-yl)-2-(3,5-difluorophenyl)ethyl]-2-[(3bS,4aR)-5,5-difluoro-3-(trifluoromethyl)-3b,4,4a,5-tetrahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazol-1-yl]acetamide | Authors: | Appleby, T.C, Link, J.O, Yant, S.R, Villasenor, A.G, Somoza, J.R, Hu, E.Y, Schroeder, S.D, Cihlar, T. | Deposit date: | 2019-11-22 | Release date: | 2020-07-01 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Clinical targeting of HIV capsid protein with a long-acting small molecule. Nature, 584, 2020
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6FQ8
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![BU of 6fq8 by Molmil](/molmil-images/mine/6fq8) | Class 3 : translocated nucleosome | Descriptor: | DNA (147-MER), Histone H2A, Histone H2B, ... | Authors: | Bilokapic, S, Halic, M. | Deposit date: | 2018-02-13 | Release date: | 2018-04-18 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (4.8 Å) | Cite: | Structural rearrangements of the histone octamer translocate DNA. Nat Commun, 9, 2018
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6FQ5
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![BU of 6fq5 by Molmil](/molmil-images/mine/6fq5) | Class 1 : canonical nucleosome | Descriptor: | DNA (147-MER), Histone H2A, Histone H2B, ... | Authors: | Bilokapic, S, Halic, M. | Deposit date: | 2018-02-13 | Release date: | 2018-04-18 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Structural rearrangements of the histone octamer translocate DNA. Nat Commun, 9, 2018
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4O37
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![BU of 4o37 by Molmil](/molmil-images/mine/4o37) | seminsynthetic RNase S1-15-3Pl-7/11 | Descriptor: | CHLORIDE ION, Ribonuclease pancreatic, S-peptide, ... | Authors: | Genz, M, Strater, N. | Deposit date: | 2013-12-18 | Release date: | 2014-05-07 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | An Artificial Imine Reductase based on the Ribonuclease S Scaffold Chem.Cat.Chem, 2014
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4O36
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![BU of 4o36 by Molmil](/molmil-images/mine/4o36) | Semisynthetic RNase S1-15-H7/11-Q10 | Descriptor: | CHLORIDE ION, Ribonuclease pancreatic, S-peptide, ... | Authors: | Genz, M, Strater, N. | Deposit date: | 2013-12-18 | Release date: | 2014-05-07 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.22 Å) | Cite: | An Artificial Imine Reductase based on the Ribonuclease S scaffold Chem.Cat.Chem, 2014
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6FQ6
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![BU of 6fq6 by Molmil](/molmil-images/mine/6fq6) | Class 2 : distorted nucleosome | Descriptor: | DNA (147-MER), Histone H2A, Histone H2B, ... | Authors: | Bilokapic, S, Halic, M. | Deposit date: | 2018-02-13 | Release date: | 2018-04-18 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (4 Å) | Cite: | Structural rearrangements of the histone octamer translocate DNA. Nat Commun, 9, 2018
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6SJA
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![BU of 6sja by Molmil](/molmil-images/mine/6sja) | Structure of HPV16 E6 oncoprotein in complex with IRF3 LxxLL motif | Descriptor: | Maltose/maltodextrin-binding periplasmic protein,Interferon regulatory factor 3, Protein E6, ZINC ION, ... | Authors: | Suarez, I.P, Cousido-Siah, A, Bonhoure, A, Mitschler, A, Podjarny, A, Trave, G. | Deposit date: | 2019-08-13 | Release date: | 2019-09-04 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Deciphering de molecular and structural interaction between IRF3 and HPV16 E6 To be published
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6R5K
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![BU of 6r5k by Molmil](/molmil-images/mine/6r5k) | |
6SYT
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![BU of 6syt by Molmil](/molmil-images/mine/6syt) | Structure of the SMG1-SMG8-SMG9 complex | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, INOSITOL HEXAKISPHOSPHATE, MAGNESIUM ION, ... | Authors: | Gat, Y, Schuller, J.M, Conti, E. | Deposit date: | 2019-10-01 | Release date: | 2019-12-11 | Last modified: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (3.45 Å) | Cite: | InsP6binding to PIKK kinases revealed by the cryo-EM structure of an SMG1-SMG8-SMG9 complex. Nat.Struct.Mol.Biol., 26, 2019
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6SIV
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![BU of 6siv by Molmil](/molmil-images/mine/6siv) | Structure of HPV16 E6 oncoprotein in complex with mutant IRF3 LxxLL motif | Descriptor: | Maltose/maltodextrin-binding periplasmic protein,Interferon regulatory factor 3, Protein E6, ZINC ION, ... | Authors: | Suarez, I.P, Cousido-Siah, A, Bonhoure, A, Mitschler, A, Podjarny, A, Trave, G. | Deposit date: | 2019-08-12 | Release date: | 2019-08-21 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.752 Å) | Cite: | Deciphering the molecular and structural interaction between IRF3 and HPV16 E6 To be published
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2X06
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![BU of 2x06 by Molmil](/molmil-images/mine/2x06) | SULFOLACTATE DEHYDROGENASE FROM METHANOCALDOCOCCUS JANNASCHII | Descriptor: | L-SULFOLACTATE DEHYDROGENASE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | Authors: | Irimia, A, Madern, D, Zaccai, G, Vellieux, F.M.D. | Deposit date: | 2009-12-07 | Release date: | 2009-12-15 | Last modified: | 2019-02-06 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Methanoarchaeal Sulfolactate Dehydrogenase: Prototype of a New Family of Nadh-Dependent Enzymes. Embo J., 23, 2004
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2JKZ
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![BU of 2jkz by Molmil](/molmil-images/mine/2jkz) | SACCHAROMYCES CEREVISIAE HYPOXANTHINE-GUANINE PHOSPHORIBOSYLTRANSFERASE IN COMPLEX WITH GMP (GUANOSINE 5'- MONOPHOSPHATE) (ORTHORHOMBIC CRYSTAL FORM) | Descriptor: | GUANOSINE-5'-MONOPHOSPHATE, HYPOXANTHINE-GUANINE PHOSPHORIBOSYLTRANSFERASE, SULFATE ION | Authors: | Moynie, L, Giraud, M.F, Breton, A, Boissier, F, Daignan-Fornier, B, Dautant, A. | Deposit date: | 2008-09-02 | Release date: | 2009-11-17 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (3.45 Å) | Cite: | Functional Significance of Four Successive Glycine Residues in the Pyrophosphate Binding Loop of Fungal 6-Oxopurine Phosphoribosyltransferases. Protein Sci., 21, 2012
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3NAY
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![BU of 3nay by Molmil](/molmil-images/mine/3nay) | PDK1 in complex with inhibitor MP6 | Descriptor: | 3-phosphoinositide-dependent protein kinase 1, 4-(2-cyclopropylethylidene)-9-(1H-pyrazol-4-yl)-6-{[(1R)-1,2,2-trimethylpropyl]amino}benzo[c][1,6]naphthyridin-1(4H)-one | Authors: | Yan, Y, Munshi, S.K, Allison, T. | Deposit date: | 2010-06-02 | Release date: | 2010-11-24 | Last modified: | 2018-01-24 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Selective inhibition of PDK1 using an allosteric kinase inhibitor and RNAi impairs cancer cell migration and anchorage-independent growth of primary tumor lines J.Biol.Chem., 2010
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