7NKZ
 
 | | Cryo-EM structure of the cytochrome bd oxidase from M. tuberculosis at 2.5 A resolution | | Descriptor: | CIS-HEME D HYDROXYCHLORIN GAMMA-SPIROLACTONE, HEME B/C, MENAQUINONE-9, ... | | Authors: | Safarian, S, Wu, D, Krause, K.L, Michel, H. | | Deposit date: | 2021-02-19 | | Release date: | 2021-09-22 | | Last modified: | 2021-09-29 | | Method: | ELECTRON MICROSCOPY (2.5 Å) | | Cite: | The cryo-EM structure of the bd oxidase from M. tuberculosis reveals a unique structural framework and enables rational drug design to combat TB.
Nat Commun, 12, 2021
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3UFD
 | | C.Esp1396I bound to its highest affinity operator site OM | | Descriptor: | CHLORIDE ION, DNA (5'-D(*AP*TP*GP*TP*AP*GP*AP*CP*TP*AP*TP*AP*GP*TP*CP*GP*AP*CP*A)-3'), DNA (5'-D(*TP*TP*GP*TP*CP*GP*AP*CP*TP*AP*TP*AP*GP*TP*CP*TP*AP*CP*A)-3'), ... | | Authors: | Ball, N.J, McGeehan, J.E, Streeter, S.D, Thresh, S.-J, Kneale, G.G. | | Deposit date: | 2011-11-01 | | Release date: | 2012-07-11 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | The structural basis of differential DNA sequence recognition by restriction-modification controller proteins.
Nucleic Acids Res., 40, 2012
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5XT4
 | | Crystal Structure of Transketolase in complex with TPP intermediate VIII' from Pichia Stipitis | | Descriptor: | 2-C-{3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium-2-yl}-6-O-phosphono-D-glucitol, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Li, T.L, Hsu, N.S, Wang, Y.L. | | Deposit date: | 2017-06-16 | | Release date: | 2018-06-20 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.06 Å) | | Cite: | Evidence of Diradicals Involved in the Yeast Transketolase Catalyzed Keto-Transferring Reactions.
Chembiochem, 19, 2018
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3UGM
 | | Structure of TAL effector PthXo1 bound to its DNA target | | Descriptor: | DNA-1, DNA-2, TAL effector AvrBs3/PthA | | Authors: | Mak, A.N.S, Bradley, P, Cernadas, R.A, Bogdanove, A.J, Stoddard, B.L. | | Deposit date: | 2011-11-02 | | Release date: | 2012-01-04 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | The Crystal Structure of TAL Effector PthXo1 Bound to Its DNA Target.
Science, 335, 2012
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5XU2
 | | Crystal Structure of Transketolase in complex with TPP_III and fructose-6-phosphate from Pichia Stipitis | | Descriptor: | 2-[3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-2H-1,3-thiazol-5-yl]ethyl phosphono hydrogen phosphate, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Li, T.L, Hsu, N.S, Wang, Y.L. | | Deposit date: | 2017-06-22 | | Release date: | 2018-06-27 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (0.97 Å) | | Cite: | Evidence of Diradicals Involved in the Yeast Transketolase Catalyzed Keto-Transferring Reactions.
Chembiochem, 19, 2018
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5KCV
 | | Crystal structure of allosteric inhibitor, ARQ 092, in complex with autoinhibited form of AKT1 | | Descriptor: | 3-[3-[4-(1-azanylcyclobutyl)phenyl]-5-phenyl-imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine, RAC-alpha serine/threonine-protein kinase | | Authors: | Eathiraj, S. | | Deposit date: | 2016-06-07 | | Release date: | 2016-06-29 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Discovery of 3-(3-(4-(1-Aminocyclobutyl)phenyl)-5-phenyl-3H-imidazo[4,5-b]pyridin-2-yl)pyridin-2-amine (ARQ 092): An Orally Bioavailable, Selective, and Potent Allosteric AKT Inhibitor.
J.Med.Chem., 59, 2016
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5XA5
 | | Crystal structure of HMP-1-HMP-2 complex | | Descriptor: | Alpha-catenin-like protein hmp-1, Beta-catenin-like protein hmp-2 | | Authors: | Shao, X, Kang, H, Weis, W.I, Hardin, J, Choi, H.J. | | Deposit date: | 2017-03-11 | | Release date: | 2017-08-30 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Cell-cell adhesion in metazoans relies on evolutionarily conserved features of the alpha-catenin· beta-catenin-binding interface.
J.Biol.Chem., 292, 2017
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3UDV
 | | Crystal structure of E. coli HPPK in complex with bisubstrate analogue inhibitor J1C | | Descriptor: | 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase, 5'-S-[1-(2-{[(2-amino-7,7-dimethyl-4-oxo-3,4,7,8-tetrahydropteridin-6-yl)carbonyl]amino}ethyl)piperidin-4-yl]-5'-thioadenosine, ACETATE ION | | Authors: | Shaw, G, Shi, G, Ji, X. | | Deposit date: | 2011-10-28 | | Release date: | 2012-01-04 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | Bisubstrate analogue inhibitors of 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase: New design with improved properties.
Bioorg.Med.Chem., 20, 2012
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3UID
 | | Crystal Structure of Protein Ms6760 from Mycobacterium smegmatis | | Descriptor: | Putative uncharacterized protein | | Authors: | Bajaj, R.A, Miallau, L, Cascio, D, Arbing, M, Eisenberg, D, TB Structural Genomics Consortium (TBSGC) | | Deposit date: | 2011-11-04 | | Release date: | 2011-11-23 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.571 Å) | | Cite: | Crystal structure of the toxin Msmeg_6760, the structural homolog of Mycobacterium tuberculosis Rv2035, a novel type II toxin involved in the hypoxic response.
Acta Crystallogr F Struct Biol Commun, 72, 2016
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3UDZ
 | | Inositol 1,3,4,5,6-pentakisphosphate 2-kinase from A. thaliana in complex with ADP and IP6. | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, INOSITOL HEXAKISPHOSPHATE, Inositol pentakisphosphate 2-kinase, ... | | Authors: | Gosein, V, Leung, T.-F, Krajden, O, Miller, G.J. | | Deposit date: | 2011-10-28 | | Release date: | 2012-03-14 | | Last modified: | 2020-10-14 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Inositol phosphate-induced stabilization of inositol 1,3,4,5,6-pentakisphosphate 2-kinase and its role in substrate specificity.
Protein Sci., 21, 2012
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6A4H
 | | Mandelate oxidase mutant-Y128F with the peroxide FMN adduct | | Descriptor: | 4-hydroxymandelate oxidase, [(2~{R},3~{S},4~{S})-5-[(4~{a}~{S})-4~{a}-(dioxidanyl)-7,8-dimethyl-2,4-bis(oxidanylidene)-5~{H}-benzo[g]pteridin-10-yl]-2,3,4-tris(oxidanyl)pentyl] dihydrogen phosphate | | Authors: | Li, T.L, Lin, K.H. | | Deposit date: | 2018-06-19 | | Release date: | 2019-06-19 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | Structural and chemical trapping of flavin-oxide intermediates reveals substrate-directed reaction multiplicity.
Protein Sci., 29, 2020
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3UJL
 | | Crystal structure of abscisic acid bound PYL2 in complex with type 2C protein phosphatase ABI2 | | Descriptor: | (2Z,4E)-5-[(1S)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid, Abscisic acid receptor PYL2, MAGNESIUM ION, ... | | Authors: | Zhou, X.E, Soon, F.-F, Ng, L.-M, Kovach, A, Tan, M.H.E, Suino-Powell, K.M, He, Y, Xu, Y, Brunzelle, J.S, Li, J, Melcher, K, Xu, H.E. | | Deposit date: | 2011-11-07 | | Release date: | 2012-02-15 | | Last modified: | 2012-03-28 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Molecular mimicry regulates ABA signaling by SnRK2 kinases and PP2C phosphatases.
Science, 335, 2012
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3UEN
 | | Crystal structure of TopBP1 BRCT4/5 domains | | Descriptor: | DNA topoisomerase 2-binding protein 1, GLYCEROL, THIOCYANATE ION | | Authors: | Leung, C.C, Glover, J.N.M. | | Deposit date: | 2011-10-31 | | Release date: | 2013-07-03 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural insights into recognition of MDC1 by TopBP1 in DNA replication checkpoint control.
Structure, 21, 2013
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3UJR
 | | Asymmetric complex of human neuron specific enolase-5-PGA/PEP | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-PHOSPHOGLYCERIC ACID, Gamma-enolase, ... | | Authors: | Qin, J, Chai, G, Brewer, J, Lovelace, L, Lebioda, L. | | Deposit date: | 2011-11-08 | | Release date: | 2012-08-22 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Structures of asymmetric complexes of human neuron specific enolase with resolved substrate and product and an analogous complex with two inhibitors indicate subunit interaction and inhibitor cooperativity.
J.Inorg.Biochem., 111, 2012
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6IMW
 | | The complex structure of endo-beta-1,2-glucanase mutant (E262Q) from Talaromyces funiculosus with beta-1,2-glucan | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, DI(HYDROXYETHYL)ETHER, Endo-beta-1,2-glucanase, ... | | Authors: | Tanaka, N, Nakajima, M, Narukawa-Nara, M, Matsunaga, H, Kamisuki, S, Aramasa, H, Takahashi, Y, Sugimoto, N, Abe, K, Miyanaga, A, Yamashita, T, Sugawara, F, Kamakura, T, Komba, S, Nakai, H, Taguchi, H. | | Deposit date: | 2018-10-23 | | Release date: | 2019-04-10 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Identification, characterization, and structural analyses of a fungal endo-beta-1,2-glucanase reveal a new glycoside hydrolase family.
J.Biol.Chem., 294, 2019
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7N12
 | | Crystal structure of the M. abscessus LeuRS editing domain in complex with epetraborole-AMP adduct | | Descriptor: | Leucine--tRNA ligase, SULFATE ION, [(1S,5R,6R,7'S,8R)-7'-(aminomethyl)-6-(6-aminopurin-9-yl)-2'-(3-oxidanylpropoxy)spiro[2,4,7-trioxa-3-boranuidabicyclo[3.3.0]octane-3,9'-8-oxa-9-boranuidabicyclo[4.3.0]nona-1(6),2,4-triene]-8-yl]methyl dihydrogen phosphate | | Authors: | Kalthoff, E, Schmeing, M. | | Deposit date: | 2021-05-26 | | Release date: | 2021-10-06 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Efficacy of epetraborole against Mycobacterium abscessus is increased with norvaline.
Plos Pathog., 17, 2021
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3ULB
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2BGR
 | | Crystal structure of HIV-1 Tat derived nonapeptides Tat(1-9) bound to the active site of Dipeptidyl peptidase IV (CD26) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-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: | Weihofen, W.A, Liu, J, Reutter, W, Saenger, W, Fan, H. | | Deposit date: | 2005-01-04 | | Release date: | 2005-01-27 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal Structures of HIV-1 Tat-Derived Nonapeptides Tat-(1-9) and Trp2-Tat-(1-9) Bound to the Active Site of Dipeptidyl-Peptidase Iv (Cd26)
J.Biol.Chem., 280, 2005
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1WIO
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3UMC
 | | Crystal Structure of the L-2-Haloacid Dehalogenase PA0810 | | Descriptor: | CHLORIDE ION, SODIUM ION, haloacid dehalogenase | | Authors: | Petit, P, Chan, P.W.Y, Savchenko, A, Yakunin, A.F, Edwards, E.A, Pai, E.F. | | Deposit date: | 2011-11-13 | | Release date: | 2012-11-14 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Structural adaptations of L-2-haloacid dehalogenases that enable hydrolytic defluorination
To be Published
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3UFZ
 | | Crystal structure of a Trp-less green fluorescent protein translated by the universal genetic code | | Descriptor: | Green fluorescent protein | | Authors: | Kawahara-Kobayashi, A, Araiso, Y, Matsuda, T, Yokoyama, S, Kigawa, T, Nureki, O, Kiga, D. | | Deposit date: | 2011-11-02 | | Release date: | 2012-10-17 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Simplification of the genetic code: restricted diversity of genetically encoded amino acids.
Nucleic Acids Res., 40, 2012
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7N11
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3UP0
 | | Nuclear receptor DAF-12 from hookworm Ancylostoma ceylanicum in complex with (25S)-delta7-dafachronic acid | | Descriptor: | (5beta,14beta,17alpha,25S)-3-oxocholest-7-en-26-oic acid, Nuclear receptor coactivator 2, aceDAF-12 | | Authors: | Zhi, X, Zhou, X.E, Melcher, K, Motola, D.L, Gelmedin, V, Hawdon, J, Kliewer, S.A, Mangelsdorf, D.J, Xu, H.E. | | Deposit date: | 2011-11-17 | | Release date: | 2011-12-14 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structural Conservation of Ligand Binding Reveals a Bile Acid-like Signaling Pathway in Nematodes.
J.Biol.Chem., 287, 2012
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3UP9
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6IIM
 | | USP14 catalytic domain with IU1-206 | | Descriptor: | 1-[1-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-(4-hydroxypiperidin-1-yl)ethan-1-one, Ubiquitin carboxyl-terminal hydrolase 14 | | Authors: | Mei, Z.Q, Wang, J.W, Wang, F, Wang, Y.W. | | Deposit date: | 2018-10-07 | | Release date: | 2018-12-12 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.21 Å) | | Cite: | Small molecule inhibitors reveal allosteric regulation of USP14 via steric blockade.
Cell Res., 28, 2018
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