7PHO
 
 | | Crystal structure of Mycobacterium hassiacum glucosyl-3-phosphoglycerate synthase at pH 7.1 in complex with 4-hydroxybenzaldehyde | | Descriptor: | BICARBONATE ION, D-MALATE, GLYCEROL, ... | | Authors: | Nunes-Costa, D, Silva, A, Barbosa Pereira, P.J, Macedo-Ribeiro, S. | | Deposit date: | 2021-08-17 | | Release date: | 2023-03-01 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.27 Å) | | Cite: | Crystal structure of Mycobacterium hassiacum glucosyl-3-phosphoglycerate synthase at pH 7.1 in complex with 4-hydroxybenzaldehyde
To Be Published
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8OKV
 | | lipoprotein BT2095 from Bacteroides thetaiotamicron bound to cyanocobalamin CnCbl | | Descriptor: | CYANOCOBALAMIN, Putative surface layer protein | | Authors: | Javier Abellon-Ruiz, J, van den Berg, B, Jana, K, Kleinekathofer, U, Silale, A, Frey, A.M, Basle, A, Trost, M. | | Deposit date: | 2023-03-29 | | Release date: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | BtuB TonB-dependent transporters and BtuG surface lipoproteins form stable complexes for vitamin B 12 uptake in gut Bacteroides.
Nat Commun, 14, 2023
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8P35
 | | Mutant human titin immunoglobulin-like 21 domain - C3575S | | Descriptor: | Titin | | Authors: | Martinez-Martin, I, Crousilles, A, Mortensen, S.A, Alegre-Cebollada, J, Wilmanns, M. | | Deposit date: | 2023-05-17 | | Release date: | 2023-11-29 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Titin domains with reduced core hydrophobicity cause dilated cardiomyopathy.
Cell Rep, 42, 2023
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6BGG
 | | Solution NMR structures of the BRD3 ET domain in complex with a CHD4 peptide | | Descriptor: | Bromodomain-containing protein 3, CHD4 | | Authors: | Wai, D.C.C, Szyszka, T.N, Campbell, A.E, Kwong, C, Wilkinson-White, L, Silva, A.P.G, Low, J.K.K, Kwan, A.H, Gamsjaeger, R, Lu, B, Vakoc, C.R, Blobel, G.A, Mackay, J.P. | | Deposit date: | 2017-10-28 | | Release date: | 2018-03-21 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | The BRD3 ET domain recognizes a short peptide motif through a mechanism that is conserved across chromatin remodelers and transcriptional regulators.
J. Biol. Chem., 293, 2018
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6F1S
 | | C-terminal domain of CglI restriction endonuclease H subunit | | Descriptor: | 1,2-ETHANEDIOL, CglIIR protein, FORMIC ACID | | Authors: | Tamulaitiene, G, Grigaitis, R, Zaremba, M, Silanskas, A. | | Deposit date: | 2017-11-23 | | Release date: | 2018-02-14 | | Last modified: | 2019-01-16 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | The H-subunit of the restriction endonuclease CglI contains a prototype DEAD-Z1 helicase-like motor.
Nucleic Acids Res., 46, 2018
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6B77
 | | Structures of the two-chain human plasma factor XIIa co-crystallized with potent inhibitors | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Coagulation factor XII, GLYCEROL, ... | | Authors: | Dementiev, A.A, Silva, A, Yee, C, Flavin, M.T, Partridge, J.R. | | Deposit date: | 2017-10-03 | | Release date: | 2018-03-21 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.37 Å) | | Cite: | Structures of human plasma beta-factor XIIa cocrystallized with potent inhibitors.
Blood Adv, 2, 2018
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2WWG
 | | Plasmodium falciparum thymidylate kinase in complex with dGMP and ADP | | Descriptor: | 2'-DEOXYGUANOSINE-5'-MONOPHOSPHATE, ADENOSINE-5'-DIPHOSPHATE, GLYCEROL, ... | | Authors: | Whittingham, J.L, Carrero-Lerida, J, Brannigan, J.A, Ruiz-Perez, L.M, Silva, A.P, Fogg, M.J, Wilkinson, A.J, Gilbert, I.H, Wilson, K.S, Gonzalez-Pacanowska, D. | | Deposit date: | 2009-10-23 | | Release date: | 2010-04-21 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural Basis for the Efficient Phosphorylation of Aztmp and Dgmp by Plasmodium Falciparum Type I Thymidylate Kinase.
Biochem.J., 428, 2010
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6DM0
 | | Open state GluA2 in complex with STZ and blocked by IEM-1460, after micelle signal subtraction | | Descriptor: | CYCLOTHIAZIDE, GLUTAMIC ACID, Glutamate receptor 2,Voltage-dependent calcium channel gamma-2 subunit, ... | | Authors: | Twomey, E.C, Yelshanskaya, M.V, Vassilevski, A.A, Sobolevsky, A.I. | | Deposit date: | 2018-06-04 | | Release date: | 2018-08-22 | | Last modified: | 2019-12-18 | | Method: | ELECTRON MICROSCOPY (4.4 Å) | | Cite: | Mechanisms of Channel Block in Calcium-Permeable AMPA Receptors.
Neuron, 99, 2018
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6DLZ
 | | Open state GluA2 in complex with STZ after micelle signal subtraction | | Descriptor: | CYCLOTHIAZIDE, GLUTAMIC ACID, Glutamate receptor 2,Voltage-dependent calcium channel gamma-2 subunit | | Authors: | Twomey, E.C, Yelshanskaya, M.V, Vassilevski, A.A, Sobolevsky, A.I. | | Deposit date: | 2018-06-04 | | Release date: | 2018-08-22 | | Last modified: | 2019-12-18 | | Method: | ELECTRON MICROSCOPY (3.9 Å) | | Cite: | Mechanisms of Channel Block in Calcium-Permeable AMPA Receptors.
Neuron, 99, 2018
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3J6U
 | | Cryo-EM structure of Dengue virus serotype 3 in complex with human antibody 5J7 Fab | | Descriptor: | Fab 5J7 heavy chain, Fab 5J7 light chain, envelope protein, ... | | Authors: | Fibriansah, G, Tan, J.L, Smith, S.A, de Alwis, R, Ng, T.-S, Kostyuchenko, V.A, Kukkaro, P, de Silva, A.M, Crowe Jr, J.E, Lok, S.-M. | | Deposit date: | 2014-03-26 | | Release date: | 2015-03-04 | | Last modified: | 2024-02-21 | | Method: | ELECTRON MICROSCOPY (9 Å) | | Cite: | A highly potent human antibody neutralizes dengue virus serotype 3 by binding across three surface proteins.
Nat Commun, 6, 2015
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3J6T
 | | Cryo-EM structure of Dengue virus serotype 3 at 37 degrees C | | Descriptor: | envelope protein, membrane protein | | Authors: | Fibriansah, G, Tan, J.L, Smith, S.A, de Alwis, R, Ng, T.-S, Kostyuchenko, V.A, Kukkaro, P, de Silva, A.M, Crowe Jr, J.E, Lok, S.-M. | | Deposit date: | 2014-03-25 | | Release date: | 2015-03-04 | | Last modified: | 2024-02-21 | | Method: | ELECTRON MICROSCOPY (7 Å) | | Cite: | A highly potent human antibody neutralizes dengue virus serotype 3 by binding across three surface proteins.
Nat Commun, 6, 2015
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3J6S
 | | Cryo-EM structure of Dengue virus serotype 3 at 28 degrees C | | Descriptor: | envelope protein, membrane protein | | Authors: | Fibriansah, G, Tan, J.L, Smith, S.A, de Alwis, R, Ng, T.-S, Kostyuchenko, V.A, Kukkaro, P, de Silva, A.M, Crowe Jr, J.E, Lok, S.-M. | | Deposit date: | 2014-03-24 | | Release date: | 2015-03-04 | | Last modified: | 2024-02-21 | | Method: | ELECTRON MICROSCOPY (6 Å) | | Cite: | A highly potent human antibody neutralizes dengue virus serotype 3 by binding across three surface proteins.
Nat Commun, 6, 2015
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6DM1
 | | Open state GluA2 in complex with STZ and blocked by NASPM, after micelle signal subtraction | | Descriptor: | CYCLOTHIAZIDE, GLUTAMIC ACID, Glutamate receptor 2,Voltage-dependent calcium channel gamma-2 subunit, ... | | Authors: | Twomey, E.C, Yelshanskaya, M.V, Vassilevski, A.A, Sobolevsky, A.I. | | Deposit date: | 2018-06-04 | | Release date: | 2018-08-22 | | Last modified: | 2019-12-18 | | Method: | ELECTRON MICROSCOPY (4.2 Å) | | Cite: | Mechanisms of Channel Block in Calcium-Permeable AMPA Receptors.
Neuron, 99, 2018
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1LS5
 | | Crystal structure of plasmepsin IV from P. falciparum in complex with pepstatin A | | Descriptor: | Pepstatin, plasmepsin IV | | Authors: | Asojo, O.A, Gulnik, S.V, Afonina, E, Yu, B, Ellman, J.A, Haque, T.S, Silva, A.M. | | Deposit date: | 2002-05-16 | | Release date: | 2002-06-12 | | Last modified: | 2013-02-27 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Novel uncomplexed and complexed structures of plasmepsin II, an aspartic protease from Plasmodium falciparum.
J.Mol.Biol., 327, 2003
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2YOF
 | | Plasmodium falciparum thymidylate kinase in complex with a (thio)urea- beta-deoxythymidine inhibitor | | Descriptor: | 1-[4-chloranyl-3-(trifluoromethyl)phenyl]-3-[[(2R,3S)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methyl]thiourea, ACETATE ION, THYMIDYLATE KINASE, ... | | Authors: | Huaqing, C, Carrero-Lerida, J, Silva, A.P.G, Whittingham, J.L, Brannigan, J.A, Ruiz-Perez, L.M, Read, K.D, Wilson, K.S, Gonzalez-Pacanowska, D, Gilbert, I.H. | | Deposit date: | 2012-10-24 | | Release date: | 2013-07-24 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.82 Å) | | Cite: | Synthesis and Evaluation of Alpha-Thymidine Analogues as Novel Antimalarials.
J.Med.Chem., 55, 2012
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1LF2
 | | CRYSTAL STRUCTURE OF PLASMEPSIN II FROM P FALCIPARUM IN COMPLEX WITH INHIBITOR RS370 | | Descriptor: | 3-AMINO-N-{4-[2-(2,6-DIMETHYL-PHENOXY)-ACETYLAMINO]-3-HYDROXY-1-ISOBUTYL-5-PHENYL-PENTYL}-BENZAMIDE, Plasmepsin 2 | | Authors: | Asojo, O.A, Afonina, E, Gulnik, S.V, Yu, B, Erickson, J.W, Randad, R, Mehadjed, D, Silva, A.M. | | Deposit date: | 2002-04-10 | | Release date: | 2002-10-10 | | Last modified: | 2021-10-27 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structures of Ser205 mutant plasmepsin II from Plasmodium falciparum at 1.8 A in complex with the inhibitors rs367 and rs370.
Acta Crystallogr.,Sect.D, 58, 2002
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1LEE
 | | CRYSTAL STRUCTURE OF PLASMEPSIN FROM P. FALCIPARUM IN COMPLEX WITH INHIBITOR RS367 | | Descriptor: | 4-AMINO-N-{4-[2-(2,6-DIMETHYL-PHENOXY)-ACETYLAMINO]-3-HYDROXY-1-ISOBUTYL-5-PHENYL-PENTYL}-BENZAMIDE, Plasmepsin 2 | | Authors: | Asojo, O.A, Afonina, E, Gulnik, S.V, Yu, B, Erickson, J.W, Randad, R, Mehadjed, D, Silva, A.M. | | Deposit date: | 2002-04-09 | | Release date: | 2002-10-09 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structures of Ser205 mutant plasmepsin II from Plasmodium falciparum at 1.8 A in complex with the inhibitors rs367 and rs370.
Acta Crystallogr.,Sect.D, 58, 2002
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1LF4
 | | STRUCTURE OF PLASMEPSIN II | | Descriptor: | Plasmepsin 2 | | Authors: | Asojo, O.A, Gulnik, S.V, Afonina, E, Yu, B, Ellman, J.A, Haque, T.S, Silva, A.M. | | Deposit date: | 2002-04-10 | | Release date: | 2002-10-10 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Novel uncomplexed and complexed structures of plasmepsin II, an aspartic protease from Plasmodium falciparum.
J.Mol.Biol., 327, 2003
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2WWF
 | | Plasmodium falciparum thymidylate kinase in complex with TMP and ADP | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, GLYCEROL, SODIUM ION, ... | | Authors: | Whittingham, J.L, Carrero-Lerida, J, Brannigan, J.A, Ruiz-Perez, L.M, Silva, A.P.G, Fogg, M.J, Wilkinson, A.J, Gilbert, I.H, Wilson, K.S, Gonzalez-Pacanowska, D. | | Deposit date: | 2009-10-23 | | Release date: | 2010-04-21 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | Structural Basis for the Efficient Phosphorylation of Aztmp and Dgmp by Plasmodium Falciparum Type I Thymidylate Kinase.
Biochem.J., 428, 2010
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2WWI
 | | Plasmodium falciparum thymidylate kinase in complex with AZTMP and ADP | | Descriptor: | 3'-AZIDO-3'-DEOXYTHYMIDINE-5'-MONOPHOSPHATE, ADENOSINE-5'-DIPHOSPHATE, THYMIDILATE KINASE, ... | | Authors: | Whittingham, J.L, Carrero-Lerida, J, Brannigan, J.A, Ruiz-Perez, L.M, Silva, A.P.G, Fogg, M.J, Wilkinson, A.J, Gilbert, I.H, Wilson, K.S, Gonzalez-Pacanowska, D. | | Deposit date: | 2009-10-23 | | Release date: | 2010-04-21 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.99 Å) | | Cite: | Structural Basis for the Efficient Phosphorylation of Aztmp and Dgmp by Plasmodium Falciparum Type I Thymidylate Kinase.
Biochem.J., 428, 2010
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5A1Z
 | | Cryo-EM structure of Dengue virus serotype 2 strain PVP94-07 complexed with human antibody 2D22 Fab at 37 degrees C | | Descriptor: | ANTIGEN-BINDING FRAGMENT OF HUMAN ANTIBODY 2D22 - HEAVY CHAIN, ANTIGEN-BINDING FRAGMENT OF HUMAN ANTIBODY 2D22 - LIGHT CHAIN, ENVELOPE PROTEIN, ... | | Authors: | Fibriansah, G, Ibarra, K.D, Ng, T.S, Smith, S.A, Tan, J.L, Lim, X.N, Ooi, J.S.G, Kostyuchenko, V.A, Wang, J, de Silva, A.M, Harris, E, Crowe Jr, J.E, Lok, S.M. | | Deposit date: | 2015-05-06 | | Release date: | 2015-07-15 | | Last modified: | 2024-05-08 | | Method: | ELECTRON MICROSCOPY (6.9 Å) | | Cite: | Cryo-EM structure of an antibody that neutralizes dengue virus type 2 by locking E protein dimers.
Science, 349, 2015
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3IAB
 | | Crystal structure of RNase P /RNase MRP proteins Pop6, Pop7 in a complex with the P3 domain of RNase MRP RNA | | Descriptor: | P3 domain of the RNA component of RNase MRP, Ribonucleases P/MRP protein subunit POP6, Ribonucleases P/MRP protein subunit POP7, ... | | Authors: | Perederina, A, Esakova, O.A, Quan, C, Khanova, E, Krasilnikov, A.S. | | Deposit date: | 2009-07-13 | | Release date: | 2010-01-26 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Eukaryotic ribonucleases P/MRP: the crystal structure of the P3 domain
Embo J., 29, 2010
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2WWH
 | | Plasmodium falciparum thymidylate kinase in complex with AP5dT | | Descriptor: | P1-(5'-ADENOSYL)P5-(5'-THYMIDYL)PENTAPHOSPHATE, SODIUM ION, THYMIDILATE KINASE, ... | | Authors: | Whittingham, J.L, Carrero-Lerida, J, Brannigan, J.A, Ruiz-Perez, L.M, Silva, A.P.G, Fogg, M.J, Wilkinson, A.J, Gilbert, I.H, Wilson, K.S, Gonzalez-Pacanowska, D. | | Deposit date: | 2009-10-23 | | Release date: | 2010-04-21 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structural Basis for the Efficient Phosphorylation of Aztmp and Dgmp by Plasmodium Falciparum Type I Thymidylate Kinase.
Biochem.J., 428, 2010
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1LF3
 | | CRYSTAL STRUCTURE OF PLASMEPSIN II FROM P FALCIPARUM IN COMPLEX WITH INHIBITOR EH58 | | Descriptor: | N-(1-BENZYL-3-{[3-(1,3-DIOXO-1,3-DIHYDRO-ISOINDOL-2-YL)-PROPIONYL]-[2-(HEXAHYDRO-BENZO[1,3]DIOXOL-5-YL)-ETHYL]-AMINO}-2-HYDROXY-PROPYL)-4-BENZYLOXY-3,5-DIMETHOXY-BENZAMIDE, plasmepsin 2 | | Authors: | Asojo, O.A, Gulnik, S.V, Afonina, E, Yu, B, Ellman, J.A, Haque, T.S, Silva, A.M. | | Deposit date: | 2002-04-10 | | Release date: | 2002-10-10 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Novel uncomplexed and complexed structures of plasmepsin II, an aspartic protease from Plasmodium falciparum.
J.Mol.Biol., 327, 2003
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2YOG
 | | Plasmodium falciparum thymidylate kinase in complex with a (thio)urea- alpha-deoxythymidine inhibitor | | Descriptor: | 1-[4-chloranyl-3-(trifluoromethyl)phenyl]-3-[[(2R,3S)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxol an-2-yl]methyl]thiourea, THYMIDYLATE KINASE | | Authors: | Huaqing, C, Carrero-Lerida, J, Silva, A.P.G, Whittingham, J.L, Brannigan, J.A, Ruiz-Perez, L.M, Read, K.D, Wilson, K.S, Gonzalez-Pacanowska, D, Gilbert, I.H. | | Deposit date: | 2012-10-24 | | Release date: | 2013-07-24 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Synthesis and Evaluation of Alpha-Thymidine Analogues as Novel Antimalarials.
J.Med.Chem., 55, 2012
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