1VYD
 
 | | Crystal structure of cytochrome C2 mutant G95E | | Descriptor: | CYTOCHROME C2, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Dumortier, C, Fitch, J, Van Petegem, F, Vermeulen, W, Meyer, T.E, Van Beeumen, J.J, Cusanovich, M.A. | | Deposit date: | 2004-04-27 | | Release date: | 2004-06-17 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Protein Dynamics in the Region of the Sixth Ligand Methionine Revealed by Studies of Imidazole Binding to Rhodobacter Capsulatus Cytochrome C2 Hinge Mutants.
Biochemistry, 43, 2004
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3J79
 | | Cryo-EM structure of the Plasmodium falciparum 80S ribosome bound to the anti-protozoan drug emetine, large subunit | | Descriptor: | 28S ribosomal RNA, 5.8S ribosomal RNA, 5S ribosomal RNA, ... | | Authors: | Wong, W, Bai, X.C, Brown, A, Fernandez, I.S, Hanssen, E, Condron, M, Tan, Y.H, Baum, J, Scheres, S.H.W. | | Deposit date: | 2014-06-02 | | Release date: | 2014-07-16 | | Last modified: | 2024-02-21 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Cryo-EM structure of the Plasmodium falciparum 80S ribosome bound to the anti-protozoan drug emetine.
Elife, 3, 2014
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5N7Q
 | | CRYSTAL STRUCTURE OF MATURE CATHEPSIN D FROM THE TICK IXODES RICINUS (IRCD1) IN COMPLEX WITH THE INHIBITOR PEPSTATIN A | | Descriptor: | DI(HYDROXYETHYL)ETHER, GLYCEROL, PEPSTATIN A, ... | | Authors: | Brynda, J, Hanova, I, Hobizalova, R, Mares, M. | | Deposit date: | 2017-02-21 | | Release date: | 2017-12-27 | | Last modified: | 2018-06-13 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Novel Structural Mechanism of Allosteric Regulation of Aspartic Peptidases via an Evolutionarily Conserved Exosite.
Cell Chem Biol, 25, 2018
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5N9Z
 | | Rubisco from Thalassiosira hyalina | | Descriptor: | 1,2-ETHANEDIOL, 2-CARBOXYARABINITOL-1,5-DIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Andersson, I, Valegard, K. | | Deposit date: | 2017-02-27 | | Release date: | 2018-03-14 | | Last modified: | 2019-05-15 | | Method: | X-RAY DIFFRACTION (1.899 Å) | | Cite: | Structural and functional analyses of Rubisco from arctic diatom species reveal unusual posttranslational modifications.
J. Biol. Chem., 293, 2018
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4FMG
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4OIR
 | | Crystal structure of Thermus thermophilus RNA polymerase transcription initiation complex soaked with GE23077 and rifamycin SV | | Descriptor: | (2Z)-2-methylbut-2-enoic acid, 5'-D(*CP*CP*T*GP*CP*AP*TP*CP*CP*GP*TP*GP*AP*GP*TP*CP*GP*AP*GP*GP*G)-3', 5'-D(*TP*AP*TP*AP*AP*TP*GP*GP*GP*AP*GP*CP*TP*GP*TP*CP*AP*CP*GP*GP*AP*TP*GP*CP*AP*GP*G)-3', ... | | Authors: | Zhang, Y, Ebright, R.H, Arnold, E. | | Deposit date: | 2014-01-20 | | Release date: | 2014-05-07 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (3.105 Å) | | Cite: | GE23077 binds to the RNA polymerase 'i' and 'i+1' sites and prevents the binding of initiating nucleotides.
Elife, 3, 2014
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7AXV
 | | Crystal structure of the cAMP-dependent protein kinase A cocrystallized with 5-isoquinolinesulfonic acid and PKI (5-24) | | Descriptor: | DIMETHYL SULFOXIDE, cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha, ... | | Authors: | Oebbeke, M, Wienen-Schmidt, B, Heine, A, Klebe, G. | | Deposit date: | 2020-11-10 | | Release date: | 2021-11-24 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.79 Å) | | Cite: | Fragment based drug design - Small chemical changes of fragments effecting big changes in binding
To Be Published
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7B12
 | | HUMAN IMMUNOPROTEASOME 20S PARTICLE IN COMPLEX WITH [2-(3-ethylphenyl)-1-[(2S)-3-phenyl-2-[(pyrazin-2-yl)formamido]propanamido]ethyl]boronic acid | | Descriptor: | ((R)-2-(3-ethylphenyl)-1-((S)-3-phenyl-2-(pyrazine-2-carboxamido)propanamido)ethyl)boronic acid, Proteasome subunit alpha type-1, Proteasome subunit alpha type-2, ... | | Authors: | Musil, D, Klein, M, Crosignani, S. | | Deposit date: | 2020-11-23 | | Release date: | 2021-12-01 | | Last modified: | 2023-06-14 | | Method: | X-RAY DIFFRACTION (2.43 Å) | | Cite: | Structure-Based Optimization and Discovery of M3258, a Specific Inhibitor of the Immunoproteasome Subunit LMP7 ( beta 5i).
J.Med.Chem., 64, 2021
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7AYW
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5NW4
 | | Human cytoplasmic dynein-1 bound to dynactin and an N-terminal construct of BICD2 | | Descriptor: | Arp1, Arp11, BICD2N, ... | | Authors: | Zhang, K, Foster, H.E, Carter, A.P. | | Deposit date: | 2017-05-05 | | Release date: | 2017-08-02 | | Last modified: | 2018-11-21 | | Method: | ELECTRON MICROSCOPY (8.7 Å) | | Cite: | Cryo-EM Reveals How Human Cytoplasmic Dynein Is Auto-inhibited and Activated.
Cell, 169, 2017
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3JBP
 | | Cryo-electron microscopy reconstruction of the Plasmodium falciparum 80S ribosome bound to E-tRNA | | Descriptor: | 18S ribosomal RNA, 28S ribosomal RNA, 40S ribosomal protein eS1, ... | | Authors: | Sun, M, Li, W, Blomqvist, K, Das, S, Hashem, Y, Dvorin, J.D, Frank, J. | | Deposit date: | 2015-09-16 | | Release date: | 2015-10-14 | | Last modified: | 2024-02-21 | | Method: | ELECTRON MICROSCOPY (6.7 Å) | | Cite: | Dynamical features of the Plasmodium falciparum ribosome during translation.
Nucleic Acids Res., 43, 2015
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4OSQ
 | | Crystal structure of the S505R mutant of TAL effector dHax3 | | Descriptor: | DNA (5'-D(*AP*GP*AP*GP*AP*GP*AP*TP*AP*AP*AP*GP*GP*GP*AP*CP*A)-3'), DNA (5'-D(*TP*GP*TP*CP*CP*CP*TP*TP*TP*GP*TP*CP*TP*CP*TP*CP*T)-3'), Hax3, ... | | Authors: | Deng, D, Wu, J.P, Yan, C.Y, Pan, X.J, Yan, N. | | Deposit date: | 2014-02-13 | | Release date: | 2014-05-28 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.256 Å) | | Cite: | Revisiting the TALE repeat
Protein Cell, 5, 2014
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3J5L
 | | Structure of the E. coli 50S subunit with ErmBL nascent chain | | Descriptor: | 23S ribsomal RNA, 5'-R(*CP*(MA6))-3', 5'-R(*CP*CP*A)-3', ... | | Authors: | Arenz, S, Ramu, H, Gupta, P, Berninghausen, O, Beckmann, R, Vazquez-Laslop, N, Mankin, A.S, Wilson, D.N. | | Deposit date: | 2013-10-23 | | Release date: | 2014-03-26 | | Last modified: | 2018-07-18 | | Method: | ELECTRON MICROSCOPY (6.6 Å) | | Cite: | Molecular basis for erythromycin-dependent ribosome stalling during translation of the ErmBL leader peptide.
Nat Commun, 5, 2014
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3JCN
 | | Structures of ribosome-bound initiation factor 2 reveal the mechanism of subunit association: Initiation Complex I | | Descriptor: | 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ... | | Authors: | Sprink, T, Ramrath, D.J.F, Yamamoto, H, Yamamoto, K, Loerke, J, Ismer, J, Hildebrand, P.W, Scheerer, P, Buerger, J, Mielke, T, Spahn, C.M.T. | | Deposit date: | 2016-01-04 | | Release date: | 2016-03-09 | | Last modified: | 2018-07-18 | | Method: | ELECTRON MICROSCOPY (4.6 Å) | | Cite: | Structures of ribosome-bound initiation factor 2 reveal the mechanism of subunit association.
Sci Adv, 2, 2016
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4PJB
 | | Structure of human MR1-5-OP-RU in complex with human MAIT B-F3-C1 TCR | | Descriptor: | 1-deoxy-1-({2,6-dioxo-5-[(E)-propylideneamino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-D-ribitol, Beta-2-microglobulin, GLYCEROL, ... | | Authors: | Birkinshaw, R.W, Rossjohn, J. | | Deposit date: | 2014-05-12 | | Release date: | 2014-07-02 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | A molecular basis underpinning the T cell receptor heterogeneity of mucosal-associated invariant T cells.
J.Exp.Med., 211, 2014
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3NXN
 | | X-ray structure of ester chemical analogue 'covalent dimer' [Ile50,O-Ile50']HIV-1 protease complexed with KVS-1 inhibitor | | Descriptor: | N~2~-[(2R,5S)-5-({(2S,3S)-2-[(N-acetyl-L-threonyl)amino]-3-methylpent-4-enoyl}amino)-2-butyl-4,4-dihydroxynonanoyl]-L-glutaminyl-L-argininamide, SULFATE ION, protease covalent dimer | | Authors: | Torbeev, V.Y, Kent, S.B.H. | | Deposit date: | 2010-07-14 | | Release date: | 2011-11-02 | | Last modified: | 2019-07-31 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Protein conformational dynamics in the mechanism of HIV-1 protease catalysis.
Proc.Natl.Acad.Sci.USA, 108, 2011
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6ZYX
 | | Outer Dynein Arm-Shulin complex - Shulin region from Tetrahymena thermophila | | Descriptor: | Dynein heavy chain, outer arm protein, Dynein intermediate chain 2, ... | | Authors: | Mali, G.R, Abid Ali, F, Lau, C.K, Carter, A.P. | | Deposit date: | 2020-08-03 | | Release date: | 2021-01-20 | | Last modified: | 2024-05-01 | | Method: | ELECTRON MICROSCOPY (4.3 Å) | | Cite: | Shulin packages axonemal outer dynein arms for ciliary targeting.
Science, 371, 2021
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5NH2
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6ZXK
 | | Fully-loaded anthrax lethal toxin in its heptameric pre-pore state and PA7LF(2+1B) arrangement | | Descriptor: | Lethal factor, Protective antigen | | Authors: | Quentin, D, Antoni, C, Gatsogiannis, C, Raunser, S. | | Deposit date: | 2020-07-29 | | Release date: | 2020-09-02 | | Last modified: | 2024-05-01 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | Cryo-EM structure of the fully-loaded asymmetric anthrax lethal toxin in its heptameric pre-pore state.
Plos Pathog., 16, 2020
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4F75
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3NWX
 | | X-ray structure of ester chemical analogue [O-Ile50,O-Ile50']HIV-1 protease complexed with KVS-1 inhibitor | | Descriptor: | N~2~-[(2R,5S)-5-({(2S,3S)-2-[(N-acetyl-L-threonyl)amino]-3-methylpent-4-enoyl}amino)-2-butyl-4,4-dihydroxynonanoyl]-L-glutaminyl-L-argininamide, SULFATE ION, protease | | Authors: | Torbeev, V.Y, Kent, S.B.H. | | Deposit date: | 2010-07-12 | | Release date: | 2011-11-02 | | Last modified: | 2019-07-31 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Protein conformational dynamics in the mechanism of HIV-1 protease catalysis.
Proc.Natl.Acad.Sci.USA, 108, 2011
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5O60
 | | Structure of the 50S large ribosomal subunit from Mycobacterium smegmatis | | Descriptor: | 23S rRNA, 50S ribosomal protein L10, 50S ribosomal protein L11, ... | | Authors: | Hentschel, J, Burnside, C, Mignot, I, Leibundgut, M, Boehringer, D, Ban, N. | | Deposit date: | 2017-06-02 | | Release date: | 2017-07-12 | | Last modified: | 2024-05-15 | | Method: | ELECTRON MICROSCOPY (3.18 Å) | | Cite: | The Complete Structure of the Mycobacterium smegmatis 70S Ribosome.
Cell Rep, 20, 2017
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3NZX
 | | Crystal structure of the yeast 20S proteasome in complex with ligand 2c | | Descriptor: | Proteasome component C1, Proteasome component C11, Proteasome component C5, ... | | Authors: | Groll, M, Gallastegui, N, Marechal, X, Le Ravalec, V, Basse, N, Richy, N, Genin, E, Huber, R, Moroder, M, Vidal, V, Reboud-Ravaux, M. | | Deposit date: | 2010-07-17 | | Release date: | 2011-02-16 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | 20S proteasome inhibition: designing noncovalent linear peptide mimics of the natural product TMC-95A.
Chemmedchem, 5, 2010
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4FAO
 | | Specificity and Structure of a high affinity Activin-like 1 (ALK1) signaling complex | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Activin receptor type-2B, Growth/differentiation factor 2, ... | | Authors: | Townson, S.A, Martinez-Hackert, E, Greppi, C, Lowden, P, Sako, D, Liu, J, Ucran, J.A, Liharska, K, Underwood, K.W, Seehra, J, Kumar, R, Grinberg, A.V. | | Deposit date: | 2012-05-22 | | Release date: | 2012-06-20 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (3.357 Å) | | Cite: | Specificity and Structure of a High Affinity Activin Receptor-like Kinase 1 (ALK1) Signaling Complex.
J.Biol.Chem., 287, 2012
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5MZ2
 | | Rubisco from Thalassiosira antarctica | | Descriptor: | 1,2-ETHANEDIOL, 2-CARBOXYARABINITOL-1,5-DIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Andersson, I, Valegard, K. | | Deposit date: | 2017-01-30 | | Release date: | 2018-02-14 | | Last modified: | 2019-04-24 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural and functional analyses of Rubisco from arctic diatom species reveal unusual posttranslational modifications.
J. Biol. Chem., 293, 2018
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