6NTN
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![BU of 6ntn by Molmil](/molmil-images/mine/6ntn) | Crystal Structure of Recombinant Human Acetylcholinesterase Inhibited by A-230 in Complex with the Reactivator, HI-6 | Descriptor: | (S)-N-[(1E)-1-(diethylamino)ethylidene]-P-methylphosphonamidic fluoride, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Bester, S.M, Guelta, M.A, Height, J.J, Pegan, S.D. | Deposit date: | 2019-01-29 | Release date: | 2020-07-01 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.697 Å) | Cite: | Insights into inhibition of human acetylcholinesterase by Novichok, A-series Nerve Agents To Be Published
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6NND
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![BU of 6nnd by Molmil](/molmil-images/mine/6nnd) | Structure of Dihydrofolate reductase from Mycobacterium tuberculosis in complex with NADPH and dihydrofolate | Descriptor: | COBALT (II) ION, DIHYDROFOLIC ACID, Dihydrofolate reductase, ... | Authors: | Ribeiro, J.A, Chavez-Pacheco, S.M, Dias, M.V.B. | Deposit date: | 2019-01-14 | Release date: | 2019-07-17 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystal structures of the closed form of Mycobacterium tuberculosis dihydrofolate reductase in complex with dihydrofolate and antifolates. Acta Crystallogr D Struct Biol, 75, 2019
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6NTO
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![BU of 6nto by Molmil](/molmil-images/mine/6nto) | Crystal Structure of Recombinant Human Acetylcholinesterase Inhibited by A-230 | Descriptor: | (S)-N-[(1E)-1-(diethylamino)ethylidene]-P-methylphosphonamidic fluoride, 2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Bester, S.M, Guelta, M.A, Height, J.J, Pegan, S.D. | Deposit date: | 2019-01-29 | Release date: | 2020-07-01 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.052 Å) | Cite: | Insights into inhibition of human acetylcholinesterase by Novichok, A-series Nerve Agents To Be Published
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1NGJ
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![BU of 1ngj by Molmil](/molmil-images/mine/1ngj) | STRUCTURAL BASIS OF THE 70-KILODALTON HEAT SHOCK COGNATE PROTEIN ATP HYDROLYTIC ACTIVITY, II. STRUCTURE OF THE ACTIVE SITE WITH ADP OR ATP BOUND TO WILD TYPE AND MUTANT ATPASE FRAGMENT | Descriptor: | HEAT-SHOCK COGNATE 70 kD PROTEIN, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER | Authors: | Flaherty, K.M, Wilbanks, S.M, Deluca-Flaherty, C, Mckay, D.B. | Deposit date: | 1994-05-17 | Release date: | 1994-08-31 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural basis of the 70-kilodalton heat shock cognate protein ATP hydrolytic activity. II. Structure of the active site with ADP or ATP bound to wild type and mutant ATPase fragment. J.Biol.Chem., 269, 1994
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6F0O
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![BU of 6f0o by Molmil](/molmil-images/mine/6f0o) | Botulinum neurotoxin A3 Hc domain | Descriptor: | 1,2-ETHANEDIOL, Bontoxilysin A, PENTAETHYLENE GLYCOL, ... | Authors: | Davies, J.R, Liu, S.M, Acharya, K.R. | Deposit date: | 2017-11-20 | Release date: | 2018-01-10 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | High resolution crystal structures of Clostridium botulinum neurotoxin A3 and A4 binding domains. J. Struct. Biol., 202, 2018
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1KJQ
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![BU of 1kjq by Molmil](/molmil-images/mine/1kjq) | Crystal structure of glycinamide ribonucleotide transformylase in complex with Mg-ADP | Descriptor: | 1,2-ETHANEDIOL, 3[N-MORPHOLINO]PROPANE SULFONIC ACID, ADENOSINE-5'-DIPHOSPHATE, ... | Authors: | Thoden, J.B, Firestine, S.M, Benkovic, S.J, Holden, H.M. | Deposit date: | 2001-12-05 | Release date: | 2002-06-28 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.05 Å) | Cite: | PurT-encoded glycinamide ribonucleotide transformylase. Accommodation of adenosine nucleotide analogs within the active site. J.Biol.Chem., 277, 2002
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8G2D
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![BU of 8g2d by Molmil](/molmil-images/mine/8g2d) | Crystal structure of the wild-type Thermus thermophilus 70S ribosome in complex with tylosin, mRNA, deacylated A- and E-site tRNAphe, and deacylated P-site tRNAmet at 2.70A resolution | Descriptor: | 16S Ribosomal RNA, 23S Ribosomal RNA, 30S ribosomal protein S10, ... | Authors: | Aleksandrova, E.V, Wu, K.J.Y, Tresco, B.I.C, Syroegin, E.A, Killeavy, E.E, Balasanyants, S.M, Svetlov, M.S, Gregory, S.T, Atkinson, G.C, Myers, A.G, Polikanov, Y.S. | Deposit date: | 2023-02-03 | Release date: | 2023-12-27 | Last modified: | 2024-07-10 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structural basis of Cfr-mediated antimicrobial resistance and mechanisms to evade it. Nat.Chem.Biol., 20, 2024
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8G2C
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![BU of 8g2c by Molmil](/molmil-images/mine/8g2c) | Crystal structure of the A2503-C2,C8-dimethylated Thermus thermophilus 70S ribosome in complex with tylosin, mRNA, aminoacylated A-site Phe-tRNAphe, aminoacylated P-site fMet-tRNAmet, and deacylated E-site tRNAphe at 2.65A resolution | Descriptor: | 16S Ribosomal RNA, 23S Ribosomal RNA, 30S ribosomal protein S10, ... | Authors: | Aleksandrova, E.V, Wu, K.J.Y, Tresco, B.I.C, Syroegin, E.A, Killeavy, E.E, Balasanyants, S.M, Svetlov, M.S, Gregory, S.T, Atkinson, G.C, Myers, A.G, Polikanov, Y.S. | Deposit date: | 2023-02-03 | Release date: | 2023-12-27 | Last modified: | 2024-07-10 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Structural basis of Cfr-mediated antimicrobial resistance and mechanisms to evade it. Nat.Chem.Biol., 20, 2024
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6S1M
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![BU of 6s1m by Molmil](/molmil-images/mine/6s1m) | Human polymerase delta holoenzyme Conformer 1 | Descriptor: | DNA polymerase delta catalytic subunit, DNA polymerase delta subunit 2, DNA polymerase delta subunit 3, ... | Authors: | Lancey, C, Hamdan, S.M, De Biasio, A. | Deposit date: | 2019-06-19 | Release date: | 2019-12-25 | Last modified: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (4.27 Å) | Cite: | Structure of the processive human Pol delta holoenzyme. Nat Commun, 11, 2020
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6P9E
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![BU of 6p9e by Molmil](/molmil-images/mine/6p9e) | Crystal structure of IL-36gamma complexed to A-552 | Descriptor: | (2S)-2-{[4-(3-amino-4-methylphenyl)-6-methylpyrimidin-2-yl]oxy}-3-methoxy-3,3-diphenylpropanoic acid, Interleukin-36 gamma | Authors: | Argiriadi, M.A, Todorovic, T, Su, Z, Putman, B, Kakavas, S.J, Salte, K.M, McDonald, H.A, Wetter, J.B, Paulsboe, S.E, Sun, Q, Gerstein, C.E, Medina, L, Sielaff, B, Sadhukhan, R, Stockmann, H, Richardson, P.L, Qiu, W, Henry, R.F, Herold, J.M, Shotwell, J.B, McGaraughty, S.P, Honore, P, Gopalakrishnan, S.M, Sun, C.C, Scott, V.E. | Deposit date: | 2019-06-10 | Release date: | 2019-06-26 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Small Molecule IL-36 gamma Antagonist as a Novel Therapeutic Approach for Plaque Psoriasis. Sci Rep, 9, 2019
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1KS5
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![BU of 1ks5 by Molmil](/molmil-images/mine/1ks5) | Structure of Aspergillus niger endoglucanase | Descriptor: | Endoglucanase A | Authors: | Khademi, S, Zhang, D, Swanson, S.M, Wartenberg, A, Witte, C, Meyer, E.F. | Deposit date: | 2002-01-10 | Release date: | 2003-01-21 | Last modified: | 2017-02-01 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Determination of the structure of an endoglucanase from Aspergillus niger and its mode of inhibition by palladium chloride. Acta Crystallogr.,Sect.D, 58, 2002
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6RQJ
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![BU of 6rqj by Molmil](/molmil-images/mine/6rqj) | Structure of human complement C5 complexed with tick inhibitors OmCI, RaCI1 and CirpT1 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Complement C5, Complement inhibitor, ... | Authors: | Reichhardt, M.P, Johnson, S, Lea, S.M. | Deposit date: | 2019-05-15 | Release date: | 2020-01-08 | Last modified: | 2020-07-29 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | An inhibitor of complement C5 provides structural insights into activation. Proc.Natl.Acad.Sci.USA, 117, 2020
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6DZQ
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![BU of 6dzq by Molmil](/molmil-images/mine/6dzq) | The N-terminal domain of PA endonuclease from the influenza H1N1 virus in complex with 3-hydroxy-6-methyl-4-oxo-4H-pyran-2-carboxylic acid | Descriptor: | 1,2-ETHANEDIOL, 3-hydroxy-6-methyl-4-oxo-4H-pyran-2-carboxylic acid, MANGANESE (II) ION, ... | Authors: | Dick, B.L, Morrison, C.N, Cohen, S.M. | Deposit date: | 2018-07-05 | Release date: | 2018-11-07 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Structure-Activity Relationships in Metal-Binding Pharmacophores for Influenza Endonuclease. J. Med. Chem., 61, 2018
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6E3M
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![BU of 6e3m by Molmil](/molmil-images/mine/6e3m) | The N-terminal domain of PA endonuclease from the influenza H1N1 virus in complex with 6-(3-carboxyphenyl)-3-hydroxy-4-oxo-1,4-dihydropyridine-2-carboxylic acid | Descriptor: | 1,2-ETHANEDIOL, 6-(3-carboxyphenyl)-3-hydroxy-4-oxo-1,4-dihydropyridine-2-carboxylic acid, MANGANESE (II) ION, ... | Authors: | Morrison, C.N, Dick, B.L, Credille, C.V, Cohen, S.M. | Deposit date: | 2018-07-14 | Release date: | 2019-07-17 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | SAR Exploration of Tight-Binding Inhibitors of Influenza Virus PA Endonuclease. J.Med.Chem., 62, 2019
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6E3N
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![BU of 6e3n by Molmil](/molmil-images/mine/6e3n) | The N-terminal domain of PA endonuclease from the influenza H1N1 virus in complex with 3-hydroxy-4-oxo-6-(o-tolyl)-1,4-dihydropyridine-2-carboxylic acid | Descriptor: | 3-hydroxy-6-(2-methylphenyl)-4-oxo-1,4-dihydropyridine-2-carboxylic acid, MANGANESE (II) ION, Polymerase acidic protein | Authors: | Morrison, C.N, Dick, B.L, Credille, C.V, Cohen, S.M. | Deposit date: | 2018-07-14 | Release date: | 2019-07-17 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (3.19 Å) | Cite: | SAR Exploration of Tight-Binding Inhibitors of Influenza Virus PA Endonuclease. J.Med.Chem., 62, 2019
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6E3O
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![BU of 6e3o by Molmil](/molmil-images/mine/6e3o) | The N-terminal domain of PA endonuclease from the influenza H1N1 virus in complex with 6-(2-ethylphenyl)-3-hydroxy-4-oxo-1,4-dihydropyridine-2-carboxylic acid | Descriptor: | 6-(2-ethylphenyl)-3-hydroxy-4-oxo-1,4-dihydropyridine-2-carboxylic acid, MANGANESE (II) ION, Polymerase acidic protein | Authors: | Morrison, C.N, Dick, B.L, Credille, C.V, Cohen, S.M. | Deposit date: | 2018-07-14 | Release date: | 2019-07-17 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (3.19 Å) | Cite: | SAR Exploration of Tight-Binding Inhibitors of Influenza Virus PA Endonuclease. J.Med.Chem., 62, 2019
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6E3P
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![BU of 6e3p by Molmil](/molmil-images/mine/6e3p) | The N-terminal domain of PA endonuclease from the influenza H1N1 virus in complex with 6-(3-(1H-tetrazol-5-yl)phenyl)-3-hydroxy-4-oxo-1,4-dihydropyridine-2-carboxylic acid | Descriptor: | 3-hydroxy-4-oxo-6-[3-(1H-tetrazol-5-yl)phenyl]-1,4-dihydropyridine-2-carboxylic acid, MANGANESE (II) ION, Polymerase acidic protein | Authors: | Morrison, C.N, Dick, B.L, Credille, C.V, Cohen, S.M. | Deposit date: | 2018-07-14 | Release date: | 2019-07-17 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | SAR Exploration of Tight-Binding Inhibitors of Influenza Virus PA Endonuclease. J.Med.Chem., 62, 2019
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6SA4
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![BU of 6sa4 by Molmil](/molmil-images/mine/6sa4) | SALSA / DMBT1 / GP340 SRCR domain 1 | Descriptor: | CHLORIDE ION, Deleted in malignant brain tumors 1 protein, GLYCEROL, ... | Authors: | Reichhardt, M.P, Lea, S.M, Johnson, S. | Deposit date: | 2019-07-16 | Release date: | 2020-03-18 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | Structures of SALSA/DMBT1 SRCR domains reveal the conserved ligand-binding mechanism of the ancient SRCR fold. Life Sci Alliance, 3, 2020
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1NGD
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![BU of 1ngd by Molmil](/molmil-images/mine/1ngd) | STRUCTURAL BASIS OF THE 70-KILODALTON HEAT SHOCK COGNATE PROTEIN ATP HYDROLYTIC ACTIVITY, II. STRUCTURE OF THE ACTIVE SITE WITH ADP OR ATP BOUND TO WILD TYPE AND MUTANT ATPASE FRAGMENT | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, HEAT-SHOCK COGNATE 70 kD PROTEIN, MAGNESIUM ION, ... | Authors: | Flaherty, K.M, Wilbanks, S.M, Deluca-Flaherty, C, Mckay, D.B. | Deposit date: | 1994-05-17 | Release date: | 1994-08-31 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.18 Å) | Cite: | Structural basis of the 70-kilodalton heat shock cognate protein ATP hydrolytic activity. II. Structure of the active site with ADP or ATP bound to wild type and mutant ATPase fragment. J.Biol.Chem., 269, 1994
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6E4C
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![BU of 6e4c by Molmil](/molmil-images/mine/6e4c) | The N-terminal domain of PA endonuclease from the influenza H1N1 virus in complex with 3-hydroxy-6-(2-methyl-4-(5-oxo-4,5-dihydro-1,2,4-oxadiazol-3-yl)phenyl)-4-oxo-1,4-dihydropyridine-2-carboxylic acid | Descriptor: | 1,2-ETHANEDIOL, 3-hydroxy-6-[2-methyl-4-(5-oxo-4,5-dihydro-1,2,4-oxadiazol-3-yl)phenyl]-4-oxo-1,4-dihydropyridine-2-carboxylic acid, MANGANESE (II) ION, ... | Authors: | Morrison, C.N, Dick, B.L, Credille, C.V, Cohen, S.M. | Deposit date: | 2018-07-17 | Release date: | 2019-07-17 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | SAR Exploration of Tight-Binding Inhibitors of Influenza Virus PA Endonuclease. J.Med.Chem., 62, 2019
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1NF3
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![BU of 1nf3 by Molmil](/molmil-images/mine/1nf3) | Structure of Cdc42 in a complex with the GTPase-binding domain of the cell polarity protein, Par6 | Descriptor: | G25K GTP-binding protein, placental isoform, MAGNESIUM ION, ... | Authors: | Garrard, S.M, Capaldo, C.T, Gao, L, Rosen, M.K, Macara, I.G, Tomchick, D.R. | Deposit date: | 2002-12-12 | Release date: | 2003-03-04 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structure of Cdc42 in a complex with the GTPase-binding domain of the cell polarity protein, Par6 Embo J., 22, 2003
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1LU5
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![BU of 1lu5 by Molmil](/molmil-images/mine/1lu5) | 2.4 Angstrom Crystal Structure of the Asymmetric Platinum Complex {Pt(ammine)(cyclohexylamine)}2+ Bound to a Dodecamer DNA Duplex | Descriptor: | 5'-D(*CP*CP*TP*CP*TP*GP*GP*TP*CP*TP*CP*C)-3', 5'-D(*GP*GP*AP*GP*AP*CP*CP*AP*GP*AP*GP*G)-3', CIS-(AMMINE)(CYCLOHEXYLAMINE)PLATINUM(II) COMPLEX | Authors: | Silverman, A.P, Bu, W, Cohen, S.M, Lippard, S.J. | Deposit date: | 2002-05-21 | Release date: | 2002-12-20 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | 2.4-A Crystal Structure of the Asymmetric Platinum Complex {Pt(ammine)(cyclohexylamine)}2+ Bound to
a Dodecamer DNA Duplex J.Biol.Chem., 277, 2002
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1LCY
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![BU of 1lcy by Molmil](/molmil-images/mine/1lcy) | Crystal Structure of the Mitochondrial Serine Protease HtrA2 | Descriptor: | HtrA2 serine protease | Authors: | Li, W, Srinivasula, S.M, Chai, J, Li, P, Wu, J.W, Zhang, Z, Alnemri, E.S, Shi, Y. | Deposit date: | 2002-04-07 | Release date: | 2002-05-22 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural insights into the pro-apoptotic function of mitochondrial serine protease HtrA2/Omi. Nat.Struct.Biol., 9, 2002
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2J9T
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![BU of 2j9t by Molmil](/molmil-images/mine/2j9t) | BipD of Burkholderia Pseudomallei | Descriptor: | BORIC ACID, CITRATE ANION, MEMBRANE ANTIGEN | Authors: | Johnson, S, Roversi, P, Field, T, Deane, J.E, Galyov, E, Lea, S.M. | Deposit date: | 2006-11-16 | Release date: | 2006-11-20 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Self-Chaperoning of the Type III Secretion System Needle Tip Proteins Ipad and Bipd. J.Biol.Chem., 282, 2007
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6SD5
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![BU of 6sd5 by Molmil](/molmil-images/mine/6sd5) | Structure of the RBM2 inner ring of Salmonella flagella MS-ring protein FliF with 22-fold symmetry applied | Descriptor: | Flagellar M-ring protein | Authors: | Johnson, S, Fong, Y.H, Deme, J.C, Furlong, E.J, Kuhlen, L, Lea, S.M. | Deposit date: | 2019-07-26 | Release date: | 2020-03-18 | Last modified: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Symmetry mismatch in the MS-ring of the bacterial flagellar rotor explains the structural coordination of secretion and rotation. Nat Microbiol, 5, 2020
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