2IOF
 
 | | Crystal structure of phosphonoacetaldehyde hydrolase with sodium borohydride-reduced substrate intermediate | | Descriptor: | MAGNESIUM ION, PHOSPHATE ION, Phosphonoacetaldehyde hydrolase | | Authors: | Allen, K.A, Lahiri, S.D, Zhang, G, Dunaway-Mariano, D. | | Deposit date: | 2006-10-10 | | Release date: | 2007-07-17 | | Last modified: | 2019-07-24 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Diversification of function in the haloacid dehalogenase enzyme superfamily: The role of the cap domain in hydrolytic phosphoruscarbon bond cleavage.
Bioorg.Chem., 34, 2006
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2IEF
 | | Structure of the cooperative Excisionase (Xis)-DNA complex reveals a micronucleoprotein filament | | Descriptor: | 15-mer DNA, 19-mer DNA, 34-mer DNA, ... | | Authors: | Abbani, M.A, Papagiannis, C.V, Sam, M.D, Cascio, D, Johnson, R.C, Clubb, R.T. | | Deposit date: | 2006-09-18 | | Release date: | 2007-02-06 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.601 Å) | | Cite: | Structure of the cooperative Xis-DNA complex reveals a micronucleoprotein filament that regulates phage lambda intasome assembly.
Proc.Natl.Acad.Sci.Usa, 104, 2007
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2W3N
 | | Structure and inhibition of the CO2-sensing carbonic anhydrase Can2 from the pathogenic fungus Cryptococcus neoformans | | Descriptor: | ACETATE ION, CARBONIC ANHYDRASE 2, GLYCEROL, ... | | Authors: | Schlicker, C, Hall, R.A, Vullo, D, Middelhaufe, S, Gertz, M, Supuran, C.T, Muehlschlegel, F.A, Steegborn, C. | | Deposit date: | 2008-11-13 | | Release date: | 2008-12-30 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Structure and inhibition of the CO2-sensing carbonic anhydrase Can2 from the pathogenic fungus Cryptococcus neoformans.
J. Mol. Biol., 385, 2009
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2J1T
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2W5S
 | | Structure-based mechanism of lipoteichoic acid synthesis by Staphylococcus aureus LtaS. | | Descriptor: | (2R)-2,3-dihydroxypropyl phosphate, ACETATE ION, MANGANESE (II) ION, ... | | Authors: | Lu, D, Wormann, M.E, Zhang, X, Schneewind, O, Grundling, A, Freemont, P.S. | | Deposit date: | 2008-12-11 | | Release date: | 2009-02-03 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structure-Based Mechanism of Lipoteichoic Acid Synthesis by Staphylococcus Aureus Ltas.
Proc.Natl.Acad.Sci.USA, 106, 2009
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2J91
 | | Crystal structure of Human Adenylosuccinate Lyase in complex with AMP | | Descriptor: | ADENOSINE MONOPHOSPHATE, ADENYLOSUCCINATE LYASE, CHLORIDE ION, ... | | Authors: | Stenmark, P, Moche, M, Arrowsmith, C, Berglund, H, Busam, R, Collins, R, Edwards, A, Ericsson, U.B, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Hallberg, B.M, Holmberg Schiavone, L, Hogbom, M, Johansson, I, Karlberg, T, Kosinska, U, Kotenyova, T, Magnusdottir, A, Nilsson, M.E, Nilsson-Ehle, P, Nyman, T, Ogg, D, Persson, C, Sagemark, J, Sundstrom, M, Uppenberg, J, Uppsten, M, Thorsell, A.G, van Den Berg, S, Wallden, K, Weigelt, J, Nordlund, P. | | Deposit date: | 2006-11-01 | | Release date: | 2006-11-07 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal Structure of Human Adenylosuccinate Lyase
To be Published
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8J05
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6YTF
 | | Acinetobacter baumannii ribosome-tigecycline complex - 30S subunit head | | Descriptor: | 16S ribosomal RNA, 30S ribosomal protein S10, 30S ribosomal protein S13, ... | | Authors: | Nicholson, D, Edwards, T.A, O'Neill, A.J, Ranson, N.A. | | Deposit date: | 2020-04-24 | | Release date: | 2020-09-16 | | Last modified: | 2024-05-22 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Structure of the 70S Ribosome from the Human Pathogen Acinetobacter baumannii in Complex with Clinically Relevant Antibiotics.
Structure, 28, 2020
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6Z1M
 | | Structure of an Ancestral glycosidase (family 1) bound to heme | | Descriptor: | 1,2-ETHANEDIOL, Ancestral reconstructed glycosidase, GLYCEROL, ... | | Authors: | Gavira, J.A, Risso, V.A, Sanchez-Ruiz, J.M, Gamiz-Arco, G, Gutierrez-Rus, L, Ibarra-Molero, B, Oshino, Y, Petrovic, D, Romero-Rivera, A, Seelig, B, Kamerlin, S.C.L, Gaucher, E.A. | | Deposit date: | 2020-05-14 | | Release date: | 2020-07-22 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Heme-binding enables allosteric modulation in an ancient TIM-barrel glycosidase.
Nat Commun, 12, 2021
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2WD7
 | | PTERIDINE REDUCTASE 1 (PTR1) FROM TRYPANOSOMA BRUCEI IN COMPLEX WITH NADP AND DDD00066750 | | Descriptor: | 6-chloro-1H-benzimidazol-2-amine, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, PTERIDINE REDUCTASE | | Authors: | Robinson, D.A, Wyatt, P.G, Spinks, D, Brenk, R. | | Deposit date: | 2009-03-20 | | Release date: | 2009-06-30 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | One Scaffold, Three Binding Modes: Novel and Selective Pteridine Reductase 1 Inhibitors Derived from Fragment Hits Discovered by Virtual Screening.
J.Med.Chem., 52, 2009
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8J04
 | | Human KCNQ2-CaM-HN37 complex in the presence of PIP2 | | Descriptor: | Calmodulin-1, Potassium voltage-gated channel subfamily KQT member 2, methyl N-[4-[(4-fluorophenyl)methyl-prop-2-ynyl-amino]-2,6-dimethyl-phenyl]carbamate | | Authors: | Ma, D, Li, X, Guo, J. | | Deposit date: | 2023-04-09 | | Release date: | 2023-12-06 | | Method: | ELECTRON MICROSCOPY (2.7 Å) | | Cite: | Ligand activation mechanisms of human KCNQ2 channel.
Nat Commun, 14, 2023
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1JTP
 | | Degenerate interfaces in antigen-antibody complexes | | Descriptor: | FORMIC ACID, LYSOZYME C, SODIUM ION, ... | | Authors: | Decanniere, K, Transue, T.R, Desmyter, A, Maes, D, Muyldermans, S, Wyns, L. | | Deposit date: | 2001-08-21 | | Release date: | 2001-12-05 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Degenerate interfaces in antigen-antibody complexes.
J.Mol.Biol., 313, 2001
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1JUJ
 | | Human Thymidylate Synthase Bound to dUMP and LY231514, a Pyrrolo(2,3-d)pyrimidine-based Antifolate | | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 2-{4-[2-(2-AMINO-4-OXO-4,7-DIHYDRO-3H-PYRROLO[2,3-D]PYRIMIDIN-5-YL)-ETHYL]-BENZOYLAMINO}-PENTANEDIOIC ACID, THYMIDYLATE SYNTHASE | | Authors: | Sayre, P.H, Finer-Moore, J.S, Fritz, T.A, Biermann, D, Gates, S.B, MacKellar, W.C, Patel, V.F, Stroud, R.M. | | Deposit date: | 2001-08-24 | | Release date: | 2001-09-19 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Multi-targeted antifolates aimed at avoiding drug resistance form covalent closed inhibitory complexes with human and Escherichia coli thymidylate synthases.
J.Mol.Biol., 313, 2001
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2W1K
 | | Crystal Structure of Sortase C-3 (SRTC-3) from Streptococcus pneumoniae | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, PUTATIVE SORTASE | | Authors: | Manzano, C, Contreras-Martel, C, El Mortaji, L, Izore, T, Fenel, D, Vernet, T, Schoehn, G, Di Guilmi, A.M, Dessen, A. | | Deposit date: | 2008-10-17 | | Release date: | 2008-12-23 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.14 Å) | | Cite: | Sortase-Mediated Pilus Fiber Biogenesis in Streptococcus Pneumoniae.
Structure, 16, 2008
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8J01
 | | Human KCNQ2-CaM in complex with CBD and PIP2 | | Descriptor: | Calmodulin-1, Potassium voltage-gated channel subfamily KQT member 2, [(2R)-2-octanoyloxy-3-[oxidanyl-[(1R,2R,3S,4R,5R,6S)-2,3,6-tris(oxidanyl)-4,5-diphosphonooxy-cyclohexyl]oxy-phosphoryl]oxy-propyl] octanoate, ... | | Authors: | Ma, D, Li, X, Guo, J. | | Deposit date: | 2023-04-09 | | Release date: | 2023-12-13 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Ligand activation mechanisms of human KCNQ2 channel.
Nat Commun, 14, 2023
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8J02
 | | Human KCNQ2(F104A)-CaM-PIP2-CBD complex in state II | | Descriptor: | Calmodulin-1, Potassium voltage-gated channel subfamily KQT member 2, [(2R)-2-octanoyloxy-3-[oxidanyl-[(1R,2R,3S,4R,5R,6S)-2,3,6-tris(oxidanyl)-4,5-diphosphonooxy-cyclohexyl]oxy-phosphoryl]oxy-propyl] octanoate, ... | | Authors: | Ma, D, Li, X, Guo, J. | | Deposit date: | 2023-04-09 | | Release date: | 2023-12-13 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Ligand activation mechanisms of human KCNQ2 channel.
Nat Commun, 14, 2023
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2J1S
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2J5H
 | | NMR analysis of mouse CRIPTO CFC domain | | Descriptor: | TERATOCARCINOMA-DERIVED GROWTH FACTOR | | Authors: | Calvanese, L, Saporito, A, Marasco, D, D'Auria, G, Minchiotti, G, Pedone, C, Paolillo, L, Falcigno, L, Ruvo, M. | | Deposit date: | 2006-09-18 | | Release date: | 2006-10-02 | | Last modified: | 2018-05-09 | | Method: | SOLUTION NMR | | Cite: | Solution structure of mouse Cripto CFC domain and its inactive variant Trp107Ala.
J. Med. Chem., 49, 2006
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2VXS
 | | Structure of IL-17A in complex with a potent, fully human neutralising antibody | | Descriptor: | FAB FRAGMENT, INTERLEUKIN-17A, SULFATE ION | | Authors: | Gerhardt, S, Hargreaves, D, Pauptit, R.A, Davies, R.A, Russell, C, Welsh, F, Tuske, S.J, Coales, S.J, Hamuro, Y, Needham, M.R.C, Langham, C, Barker, W, Bell, P, Aziz, A, Smith, M.J, Dawson, S, Abbott, W.M. | | Deposit date: | 2008-07-09 | | Release date: | 2009-07-14 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.63 Å) | | Cite: | Structure of Il-17A in Complex with a Potent, Fully Human Neutralising Antibody.
J.Mol.Biol., 394, 2009
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2J0E
 | | Three dimensional structure and catalytic mechanism of 6- phosphogluconolactonase from Trypanosoma brucei | | Descriptor: | 6-PHOSPHOGLUCONOLACTONASE, MERCURY (II) ION, POTASSIUM ION, ... | | Authors: | Delarue, M, Duclert-Savatier, N, Miclet, E, Haouz, A, Giganti, D, Ouazzani, J, Lopez, P, Nilges, M, Stoven, V. | | Deposit date: | 2006-08-02 | | Release date: | 2007-01-03 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Three Dimensional Structure and Implications for the Catalytic Mechanism of 6-Phosphogluconolactonase from Trypanosoma Brucei.
J.Mol.Biol., 366, 2007
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6Z4E
 | | The structure of the C-terminal domain of RssB from E. coli | | Descriptor: | Regulator of RpoS | | Authors: | Zeth, K, Dimce, M, Terrence, D.M, Schuenemann, V, Dougan, D. | | Deposit date: | 2020-05-25 | | Release date: | 2020-07-29 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Insight into the RssB-Mediated Recognition and Delivery of sigma s to the AAA+ Protease, ClpXP.
Biomolecules, 10, 2020
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2J1U
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2VTD
 | | Crystal structure of MurD ligase in complex with D-Glu containing sulfonamide inhibitor | | Descriptor: | N-({6-[(4-CYANO-2-FLUOROBENZYL)OXY]NAPHTHALEN-2-YL}SULFONYL)-D-GLUTAMIC ACID, SULFATE ION, UDP-N-ACETYLMURAMOYLALANINE--D-GLUTAMATE LIGASE | | Authors: | Humljan, J, Kotnik, M, Contreras-Martel, C, Blanot, D, Urleb, U, Dessen, A, Solmajer, T, Gobec, S. | | Deposit date: | 2008-05-14 | | Release date: | 2008-11-25 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | Novel naphthalene-N-sulfonyl-D-glutamic acid derivatives as inhibitors of MurD, a key peptidoglycan biosynthesis enzyme.
J. Med. Chem., 51, 2008
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2J7J
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2VWL
 | | Aminopyrrolidine Factor Xa inhibitor | | Descriptor: | 5-CHLORO-THIOPHENE-2-CARBOXYLIC ACID ((3R,5S)-1-{[2-FLUORO-4-(2-OXO-PYRIDIN-1-YL)-PHENYLCARBAMOYL]-METHYL}-5-HYDROXYMETHYL-PYRROLIDIN-3-YL)-AMIDE, ACTIVATED FACTOR XA HEAVY CHAIN, CALCIUM ION, ... | | Authors: | Groebke-Zbinden, K, Banner, D.W, Benz, J.M, Blasco, F, Decoret, G, Himber, J, Kuhn, B, Panday, N, Ricklin, F, Risch, P, Schlatter, D, Stahl, M, Unger, R, Haap, W. | | Deposit date: | 2008-06-26 | | Release date: | 2009-07-07 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Design of Novel Aminopyrrolidine Factor Xa Inhibitors from a Screening Hit.
Eur.J.Med.Chem., 44, 2009
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