4D0X
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![BU of 4d0x by Molmil](/molmil-images/mine/4d0x) | Pyrrole-3-carboxamides as potent and selective JAK2 inhibitors | Descriptor: | 5-(2-aminopyrimidin-4-yl)-2-[2-chloro-5-(trifluoromethyl)phenyl]-1H-pyrrole-3-carboxamide, GLYCEROL, TYROSINE-PROTEIN KINASE JAK2 | Authors: | Canevari, G, Fasolini, M, Bertrand, J, Brasca, M.G, Nesi, M, Avanzi, N, Ballinari, D, Bandiera, T, Bindi, S, Carenzi, D, Casero, D, Ceriani, L, Ciomei, M, Cirla, A, Colombo, M, Cribioli, S, Cristiani, C, Della Vedova, F, Fachin, G, Felder, E.R, Galvani, A, Isacchi, A, Mirizzi, D, Motto, I, Panzeri, A, Pesenti, E, Vianello, P, Gnocchi, P, Donati, D. | Deposit date: | 2014-04-30 | Release date: | 2014-07-23 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Pyrrole-3-Carboxamides as Potent and Selective Jak2 Inhibitors. Bioorg.Med.Chem., 22, 2014
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8U3B
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![BU of 8u3b by Molmil](/molmil-images/mine/8u3b) | Cryo-EM structure of E. coli NarL-transcription activation complex at 3.2A | Descriptor: | DNA (69-MER), DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, ... | Authors: | Liu, B, Kompaniiets, D, Wang, D. | Deposit date: | 2023-09-07 | Release date: | 2024-01-17 | Last modified: | 2024-02-21 | Method: | ELECTRON MICROSCOPY (3.23 Å) | Cite: | Structural basis for transcription activation by the nitrate-responsive regulator NarL. Nucleic Acids Res., 52, 2024
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4ADY
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![BU of 4ady by Molmil](/molmil-images/mine/4ady) | Crystal structure of 26S proteasome subunit Rpn2 | Descriptor: | 26S PROTEASOME REGULATORY SUBUNIT RPN2 | Authors: | Kulkarni, K, He, J, Da Fonseca, P.C.A, Krutauz, D, Glickman, M.H, Barford, D, Morris, E.P. | Deposit date: | 2012-01-04 | Release date: | 2012-03-14 | Last modified: | 2019-05-08 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | The Structure of the 26S Proteasome Subunit Rpn2 Reveals its Pc Repeat Domain as a Closed Toroid of Two Concentric Alpha-Helical Rings Structure, 20, 2012
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4AFU
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![BU of 4afu by Molmil](/molmil-images/mine/4afu) | Human Chymase - Fynomer Complex | Descriptor: | CHYMASE, FYNOMER | Authors: | Schlatter, D, Brack, S, Banner, D.W, Batey, S, Benz, J, Bertschinger, J, Huber, W, Joseph, C, Rufer, A, Van Der Kloosters, A, Weber, M, Grabulovski, D, Hennig, M. | Deposit date: | 2012-01-23 | Release date: | 2012-07-11 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Generation, Characterization and Structural Data of Chymase Binding Proteins Based on the Human Fyn Kinase SH3 Domain. Mabs, 4, 2012
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6HLA
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![BU of 6hla by Molmil](/molmil-images/mine/6hla) | wild-type NuoEF from Aquifex aeolicus - reduced form bound to NADH | Descriptor: | 3[N-MORPHOLINO]PROPANE SULFONIC ACID, FE2/S2 (INORGANIC) CLUSTER, FLAVIN MONONUCLEOTIDE, ... | Authors: | Gerhardt, S, Friedrich, T, Einsle, O, Gnandt, E, Schulte, M, Fiegen, D. | Deposit date: | 2018-09-11 | Release date: | 2019-06-26 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | A mechanism to prevent production of reactive oxygen species by Escherichia coli respiratory complex I. Nat Commun, 10, 2019
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2VY7
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![BU of 2vy7 by Molmil](/molmil-images/mine/2vy7) | The 627-domain from influenza A virus polymerase PB2 subunit | Descriptor: | POLYMERASE BASIC PROTEIN 2 | Authors: | Tarendeau, F, Crepin, T, Guilligay, D, Ruigrok, R, Cusack, S, Hart, D. | Deposit date: | 2008-07-18 | Release date: | 2008-09-09 | Last modified: | 2012-06-06 | Method: | X-RAY DIFFRACTION (1.53 Å) | Cite: | Host Determinant Residue Lysine 627 Lies on the Surface of a Discrete, Folded Domain of Influenza Virus Polymerase Pb2 Subunit Plos Pathog., 4, 2008
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6DCG
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![BU of 6dcg by Molmil](/molmil-images/mine/6dcg) | Discovery of MK-8353: An Orally Bioavailable Dual Mechanism ERK Inhibitor for Oncology | Descriptor: | (3S)-3-(methylsulfanyl)-1-(2-{4-[4-(1-methyl-1H-1,2,4-triazol-3-yl)phenyl]-3,6-dihydropyridin-1(2H)-yl}-2-oxoethyl)-N-(3-{6-[(propan-2-yl)oxy]pyridin-3-yl}-1H-indazol-5-yl)pyrrolidine-3-carboxamide, Mitogen-activated protein kinase 1, SULFATE ION | Authors: | Boga, S.B, Deng, Y, Zhu, L, Nan, Y, Cooper, A, Shipps Jr, G.W, Doll, R, Shih, N, Zhu, H, Sun, R, Wang, T, Paliwal, S, Tsui, H, Gao, X, Yao, X, Desai, J, Wang, J, Alhassan, A.B, Kelly, J, Patel, M, Muppalla, K, Gudipati, S, Zhang, L, Buevich, A, Hesk, D, Carr, D, Dayananth, P, Mei, H, Cox, K, Sherborne, B, Hruza, A.W, Xiao, L, Jin, W, Long, B, Liu, G, Taylor, S.A, Kirschmeier, P, Windsor, W.T, Bishop, R, Samatar, A.A. | Deposit date: | 2018-05-06 | Release date: | 2018-08-08 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | MK-8353: Discovery of an Orally Bioavailable Dual Mechanism ERK Inhibitor for Oncology. ACS Med Chem Lett, 9, 2018
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4B3M
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![BU of 4b3m by Molmil](/molmil-images/mine/4b3m) | Crystal structure of the 30S ribosome in complex with compound 1 | Descriptor: | (1R,2R,3S,4R,6S)-4,6-diamino-2-{[3-O-(2,6-diamino-2,6-dideoxy-beta-L-idopyranosyl)-beta-D-ribofuranosyl]oxy}-3-hydroxycyclohexyl 2-amino-4,6-O-benzylidene-2-deoxy-alpha-D-glucopyranoside, 16S RIBOSOMAL RNA, 30S RIBOSOMAL PROTEIN S10, ... | Authors: | Ng, C.L, Lang, K, Shcherbakov, D, Matt, T, Perez-Fernandez, D, Patak, R, Meyer, M, Duscha, S, Akbergenov, R, Boukari, H, Freihofer, P, Kudyba, I, Reddy, M.S.K, Nandurikar, R.S, Ramakrishnan, V, Vasella, A, Bottger, E.C. | Deposit date: | 2012-07-25 | Release date: | 2013-08-07 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | 4'-O-Substitutions Determine Selectivity of Aminoglycoside Antibiotics Nat.Commun., 5, 2014
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4B3R
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![BU of 4b3r by Molmil](/molmil-images/mine/4b3r) | Crystal structure of the 30S ribosome in complex with compound 30 | Descriptor: | (1R,2R,3S,4R,6S)-4,6-diamino-2-{[3-O-(2,6-diamino-2,6-dideoxy-beta-L-idopyranosyl)-beta-D-ribofuranosyl]oxy}-3-hydroxycyclohexyl 2-amino-2-deoxy-4,6-O-[(1R)-3-phenylpropylidene]-alpha-D-glucopyranoside, 16S RIBOSOMAL RNA, 30S RIBOSOMAL PROTEIN S10, ... | Authors: | Ng, C.L, Lang, K, Shcherbakov, D, Matt, T, Perez-Fernandez, D, Patak, R, Meyer, M, Duscha, S, Akbergenov, R, Boukari, H, Freihofer, P, Kudyba, I, Reddy, M.S.K, Nandurikar, R.S, Ramakrishnan, V, Vasella, A, Bottger, E.C. | Deposit date: | 2012-07-26 | Release date: | 2013-08-07 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | 4'-O-Substitutions Determine Selectivity of Aminoglycoside Antibiotics Nat.Commun., 5, 2014
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6AU3
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![BU of 6au3 by Molmil](/molmil-images/mine/6au3) | Crystal structure of SETDB1 Tudor domain with aryl triazole fragments | Descriptor: | 1,2-ETHANEDIOL, Histone-lysine N-methyltransferase SETDB1, N-{[2-(3,5-dimethyl-4H-1,2,4-triazol-4-yl)phenyl]methyl}acetamide, ... | Authors: | MADER, P, Mendoza-Sanchez, R, IQBAL, A, DONG, A, DOBROVETSKY, E, CORLESS, V.B, LIEW, S.K, TEMPEL, W, SMIL, D, DELA SENA, C.C, KENNEDY, S, DIAZ, D, HOLOWNIA, A, VEDADI, M, BROWN, P.J, SANTHAKUMAR, V, Bountra, C, Edwards, A.M, YUDIN, A.K, Arrowsmith, C.H, Structural Genomics Consortium (SGC) | Deposit date: | 2017-08-30 | Release date: | 2017-09-27 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structure of SETDB1 Tudor domain with aryl triazole fragments to be published
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1IGN
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![BU of 1ign by Molmil](/molmil-images/mine/1ign) | DNA-BINDING DOMAIN OF RAP1 IN COMPLEX WITH TELOMERIC DNA SITE | Descriptor: | DNA (5'-D(*CP*CP*GP*CP*AP*CP*AP*CP*CP*CP*AP*CP*AP*CP*AP*CP*C P*AP*G)-3'), DNA (5'-D(*CP*CP*TP*GP*GP*TP*GP*TP*GP*TP*GP*GP*GP*TP*GP*TP*G P*CP*G)-3'), PROTEIN (RAP1) | Authors: | Koenig, P, Giraldo, R, Chapman, L, Rhodes, D. | Deposit date: | 1996-02-29 | Release date: | 1997-01-27 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | The crystal structure of the DNA-binding domain of yeast RAP1 in complex with telomeric DNA. Cell(Cambridge,Mass.), 85, 1996
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4B3T
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![BU of 4b3t by Molmil](/molmil-images/mine/4b3t) | Crystal structure of the 30S ribosome in complex with compound 39 | Descriptor: | (2S,3S,4R,5R,6R)-2-(aminomethyl)-5-azanyl-6-[(2R,3S,4R,5S)-5-[(1R,2R,3S,5R,6S)-3,5-bis(azanyl)-2-[(2S,3R,4R,5S,6R)-3-azanyl-5-[(4-chlorophenyl)methoxy]-6-(hydroxymethyl)-4-oxidanyl-oxan-2-yl]oxy-6-oxidanyl-cyclohexyl]oxy-2-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl]oxy-oxane-3,4-diol, 16S RIBOSOMAL RNA, 30S RIBOSOMAL PROTEIN S10, ... | Authors: | Ng, C.L, Lang, K, Shcherbakov, D, Matt, T, Perez-Fernandez, D, Patak, R, Meyer, M, Duscha, S, Akbergenov, R, Boukari, H, Freihofer, P, Kudyba, I, Reddy, M.S.K, Nandurikar, R.S, Ramakrishnan, V, Vasella, A, Bottger, E.C. | Deposit date: | 2012-07-26 | Release date: | 2013-08-07 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | 4'-O-Substitutions Determine Selectivity of Aminoglycoside Antibiotics Nat.Commun., 5, 2014
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6JL7
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![BU of 6jl7 by Molmil](/molmil-images/mine/6jl7) | |
1JPS
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![BU of 1jps by Molmil](/molmil-images/mine/1jps) | Crystal structure of tissue factor in complex with humanized Fab D3h44 | Descriptor: | immunoglobulin Fab D3H44, heavy chain, light chain, ... | Authors: | Faelber, K, Kirchhofer, D, Presta, L, Kelley, R.F, Muller, Y.A. | Deposit date: | 2001-08-03 | Release date: | 2002-02-03 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | The 1.85 A resolution crystal structures of tissue factor in complex with humanized Fab D3h44 and of free humanized Fab D3h44: revisiting the solvation of antigen combining sites. J.Mol.Biol., 313, 2001
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3ZJF
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![BU of 3zjf by Molmil](/molmil-images/mine/3zjf) | A20 OTU domain with irreversibly oxidised Cys103 from 270 min H2O2 soak. | Descriptor: | A20P50, CHLORIDE ION | Authors: | Kulathu, Y, Garcia, F.J, Mevissen, T.E.T, Busch, M, Arnaudo, N, Carroll, K.S, Barford, D, Komander, D. | Deposit date: | 2013-01-17 | Release date: | 2013-03-06 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Regulation of A20 and Other Otu Deubiquitinases by Reversible Oxidation Nat.Commun., 4, 2013
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3ZNX
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![BU of 3znx by Molmil](/molmil-images/mine/3znx) | Crystal structure of the OTU domain of OTULIN D336A mutant | Descriptor: | CALCIUM ION, CHLORIDE ION, GLYCEROL, ... | Authors: | Keusekotten, K, Elliott, P.R, Glockner, L, Kulathu, Y, Wauer, T, Krappmann, D, Hofmann, K, Komander, D. | Deposit date: | 2013-02-18 | Release date: | 2013-06-26 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Otulin Antagonizes Lubac Signaling by Specifically Hydrolyzing met1-Linked Polyubiquitin. Cell(Cambridge,Mass.), 153, 2013
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6DHH
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![BU of 6dhh by Molmil](/molmil-images/mine/6dhh) | RT XFEL structure of Photosystem II 400 microseconds after the second illumination at 2.2 Angstrom resolution | Descriptor: | 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ... | Authors: | Kern, J, Chatterjee, R, Young, I.D, Fuller, F.D, Lassalle, L, Ibrahim, M, Gul, S, Fransson, T, Brewster, A.S, Alonso-Mori, R, Hussein, R, Zhang, M, Douthit, L, de Lichtenberg, C, Cheah, M.H, Shevela, D, Wersig, J, Seufert, I, Sokaras, D, Pastor, E, Weninger, C, Kroll, T, Sierra, R.G, Aller, P, Butryn, A, Orville, A.M, Liang, M, Batyuk, A, Koglin, J.E, Carbajo, S, Boutet, S, Moriarty, N.W, Holton, J.M, Dobbek, H, Adams, P.D, Bergmann, U, Sauter, N.K, Zouni, A, Messinger, J, Yano, J, Yachandra, V.K. | Deposit date: | 2018-05-20 | Release date: | 2018-11-21 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structures of the intermediates of Kok's photosynthetic water oxidation clock. Nature, 563, 2018
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1K1C
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![BU of 1k1c by Molmil](/molmil-images/mine/1k1c) | Solution Structure of Crh, the Bacillus subtilis Catabolite Repression HPr | Descriptor: | catabolite repression HPr-like protein | Authors: | Favier, A, Brutscher, B, Blackledge, M, Galinier, A, Deutscher, J, Penin, F, Marion, D. | Deposit date: | 2001-09-25 | Release date: | 2001-10-17 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Solution structure and dynamics of Crh, the Bacillus subtilis catabolite repression HPr. J.Mol.Biol., 317, 2002
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3ZJG
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![BU of 3zjg by Molmil](/molmil-images/mine/3zjg) | A20 OTU domain with irreversibly oxidised Cys103 from 60 min H2O2 soak. | Descriptor: | CHLORIDE ION, TUMOR NECROSIS FACTOR ALPHA-INDUCED PROTEIN 3 | Authors: | Kulathu, Y, Garcia, F.J, Mevissen, T.E.T, Busch, M, Arnaudo, N, Carroll, K.S, Barford, D, Komander, D. | Deposit date: | 2013-01-17 | Release date: | 2013-03-06 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | Regulation of A20 and Other Otu Deubiquitinases by Reversible Oxidation Nat.Commun., 4, 2013
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2XTL
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![BU of 2xtl by Molmil](/molmil-images/mine/2xtl) | Structure of the major pilus backbone protein from Streptococcus Agalactiae | Descriptor: | CELL WALL SURFACE ANCHOR FAMILY PROTEIN, POTASSIUM ION | Authors: | Rinauda, D, Gourlay, L.J, Soriano, M, Grandi, G, Bolognesi, M. | Deposit date: | 2010-10-11 | Release date: | 2011-07-06 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structure-Based Approach to Rationally Design a Chimeric Protein for an Effective Vaccine Against Group B Streptococcus Infections. Proc.Natl.Acad.Sci.USA, 108, 2011
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4BKL
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![BU of 4bkl by Molmil](/molmil-images/mine/4bkl) | Crystal structure of the arthritogenic antibody M2139 (Fab fragment) in complex with the triple-helical J1 peptide | Descriptor: | J1 EPITOPE, M2139 FAB FRAGMENT HEAVY CHAIN, M2139 FAB FRAGMENT LIGHT CHAIN | Authors: | Raposo, B, Dobritzsch, D, Ge, C, Ekman, D, Lindh, I, Foerster, M, Uysal, H, Schneider, G, Holmdahl, R. | Deposit date: | 2013-04-26 | Release date: | 2014-02-05 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3.25 Å) | Cite: | Epitope-Specific Antibody Response is Controlled by Immunoglobulin Vh Polymorphisms. J.Exp.Med., 211, 2014
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3NEW
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![BU of 3new by Molmil](/molmil-images/mine/3new) | p38-alpha complexed with Compound 10 | Descriptor: | 4-(trifluoromethyl)-3-[3-(trifluoromethyl)phenyl]-1,7-dihydro-6H-pyrazolo[3,4-b]pyridin-6-one, Mitogen-activated protein kinase 14 | Authors: | Goedken, E.R, Comess, K.M, Sun, C, Argiriadi, M, Jia, Y, Quinn, C.M, Banach, D.L, Marcotte, D, Borhani, D. | Deposit date: | 2010-06-09 | Release date: | 2010-12-01 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.51 Å) | Cite: | Discovery and Characterization of Non-ATP Site Inhibitors of the Mitogen Activated Protein (MAP) Kinases. Acs Chem.Biol., 6, 2011
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2VHF
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![BU of 2vhf by Molmil](/molmil-images/mine/2vhf) | Structure of the CYLD USP domain | Descriptor: | UBIQUITIN CARBOXYL-TERMINAL HYDROLASE CYLD, ZINC ION | Authors: | Komander, D, Lord, C.J, Scheel, H, Swift, S, Hofmann, K, Ashworth, A, Barford, D. | Deposit date: | 2007-11-21 | Release date: | 2008-03-11 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | The Structure of the Cyld Usp Domain Explains its Specificity for Lys63-Linked Polyubiquitin and Reveals a B-Box Module Mol.Cell.Biol., 29, 2008
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6DHF
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![BU of 6dhf by Molmil](/molmil-images/mine/6dhf) | RT XFEL structure of the one-flash state of Photosystem II (1F, S2-rich) at 2.08 Angstrom resolution | Descriptor: | 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ... | Authors: | Kern, J, Chatterjee, R, Young, I.D, Fuller, F.D, Lassalle, L, Ibrahim, M, Gul, S, Fransson, T, Brewster, A.S, Alonso-Mori, R, Hussein, R, Zhang, M, Douthit, L, de Lichtenberg, C, Cheah, M.H, Shevela, D, Wersig, J, Seufert, I, Sokaras, D, Pastor, E, Weninger, C, Kroll, T, Sierra, R.G, Aller, P, Butryn, A, Orville, A.M, Liang, M, Batyuk, A, Koglin, J.E, Carbajo, S, Boutet, S, Moriarty, N.W, Holton, J.M, Dobbek, H, Adams, P.D, Bergmann, U, Sauter, N.K, Zouni, A, Messinger, J, Yano, J, Yachandra, V.K. | Deposit date: | 2018-05-20 | Release date: | 2018-11-21 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.08 Å) | Cite: | Structures of the intermediates of Kok's photosynthetic water oxidation clock. Nature, 563, 2018
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3ZE5
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![BU of 3ze5 by Molmil](/molmil-images/mine/3ze5) | Crystal structure of the integral membrane diacylglycerol kinase - delta4 | Descriptor: | DIACYLGLYCEROL KINASE | Authors: | Li, D, Vogeley, L, Pye, V.E, Lyons, J.A, Aragao, D, Caffrey, M. | Deposit date: | 2012-12-03 | Release date: | 2013-05-22 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (3.101 Å) | Cite: | Crystal Structure of the Integral Membrane Diacylglycerol Kinase. Nature, 497, 2013
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