4U0C
 
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4U0A
 | | Hexameric HIV-1 CA in complex with CPSF6 peptide, P6 crystal form | | Descriptor: | CHLORIDE ION, Capsid protein p24, Cleavage and polyadenylation specificity factor subunit 6 | | Authors: | Price, A.J, Jacques, D.A, James, L.C. | | Deposit date: | 2014-07-11 | | Release date: | 2014-11-12 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Host Cofactors and Pharmacologic Ligands Share an Essential Interface in HIV-1 Capsid That Is Lost upon Disassembly.
Plos Pathog., 10, 2014
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4U0E
 | | Hexameric HIV-1 CA in complex with PF3450074 | | Descriptor: | CHLORIDE ION, Capsid protein p24, N-METHYL-NALPHA-[(2-METHYL-1H-INDOL-3-YL)ACETYL]-N-PHENYL-L-PHENYLALANINAMIDE | | Authors: | Price, A.J, Jacques, D.A, James, L.C. | | Deposit date: | 2014-07-11 | | Release date: | 2014-11-12 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.043 Å) | | Cite: | Host Cofactors and Pharmacologic Ligands Share an Essential Interface in HIV-1 Capsid That Is Lost upon Disassembly.
Plos Pathog., 10, 2014
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4U0F
 | | Hexameric HIV-1 CA in Complex with BI-2 | | Descriptor: | (4S)-4-(4-hydroxyphenyl)-3-phenyl-4,5-dihydropyrrolo[3,4-c]pyrazol-6(1H)-one, 1,2-ETHANEDIOL, Capsid protein p24 | | Authors: | Price, A.J, Jacques, D.A, James, L.C. | | Deposit date: | 2014-07-11 | | Release date: | 2014-11-12 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.22 Å) | | Cite: | Host Cofactors and Pharmacologic Ligands Share an Essential Interface in HIV-1 Capsid That Is Lost upon Disassembly.
Plos Pathog., 10, 2014
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4U0D
 | | Hexameric HIV-1 CA in complex with Nup153 peptide, P212121 crystal form | | Descriptor: | CHLORIDE ION, Gag polyprotein, Nuclear pore complex protein Nup153 | | Authors: | Price, A.J, Jacques, D.A, James, L.C. | | Deposit date: | 2014-07-11 | | Release date: | 2014-11-12 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Host Cofactors and Pharmacologic Ligands Share an Essential Interface in HIV-1 Capsid That Is Lost upon Disassembly.
Plos Pathog., 10, 2014
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8SLR
 | | Crystal Structure of mouse TRAIL | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Pedersen, L.C, Xu, D. | | Deposit date: | 2023-04-24 | | Release date: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Heparan sulfate promotes TRAIL-induced tumor cell apoptosis.
Elife, 12, 2024
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4UMB
 | | Structural analysis of substrate-mimicking inhibitors in complex with Neisseria meningitidis 3-deoxy-D-arabino-heptulosonate 7-phosphate synthase - the importance of accommodating the active site water | | Descriptor: | (2R)-2-(phosphonooxy)propanoic acid, MANGANESE (II) ION, PHOSPHATE ION, ... | | Authors: | Heyes, L.C, Reichau, S, Cross, P.J, Parker, E.J. | | Deposit date: | 2014-05-16 | | Release date: | 2014-10-08 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.17 Å) | | Cite: | Structural Analysis of Substrate-Mimicking Inhibitors in Complex with Neisseria Meningitidis 3-Deoxy-D-Arabino-Heptulosonate 7-Phosphate Synthase - the Importance of Accommodating the Active Site Water.
Bioorg.Chem., 57, 2014
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4UMC
 | | Structural analysis of substrate-mimicking inhibitors in complex with Neisseria meningitidis 3-deoxy-D-arabino-heptulosonate 7-phosphate synthase - the importance of accommodating the active site water | | Descriptor: | L-PHOSPHOLACTATE, MANGANESE (II) ION, PHOSPHATE ION, ... | | Authors: | Heyes, L.C, Reichau, S, Cross, P.J, Parker, E.J. | | Deposit date: | 2014-05-16 | | Release date: | 2014-10-08 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.34 Å) | | Cite: | Structural Analysis of Substrate-Mimicking Inhibitors in Complex with Neisseria Meningitidis 3-Deoxy-D-Arabino-Heptulosonate 7-Phosphate Synthase - the Importance of Accommodating the Active Site Water.
Bioorg.Chem., 57, 2014
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1KEM
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4UC5
 | | Neisseria Meningitidis DAH7PS-Phenylalanine regulated | | Descriptor: | DI(HYDROXYETHYL)ETHER, MANGANESE (II) ION, PHENYLALANINE, ... | | Authors: | Heyes, L.C, Lang, E.J.M, Parker, E.J. | | Deposit date: | 2014-12-03 | | Release date: | 2015-11-25 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.19 Å) | | Cite: | Calculated Pka Variations Expose Dynamic Allosteric Communication Networks.
J.Am.Chem.Soc., 138, 2016
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4UCG
 | | NmeDAH7PS R126S variant | | Descriptor: | DI(HYDROXYETHYL)ETHER, MANGANESE (II) ION, PHOSPHO-2-DEHYDRO-3-DEOXYHEPTONATE ALDOLASE, ... | | Authors: | Cross, P.J, Heyes, L.C, Zhang, S, Nazmi, A.R, Parker, E.J. | | Deposit date: | 2014-12-03 | | Release date: | 2016-01-13 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The Functional Unit of Neisseria Meningitidis 3-Deoxy-D-Arabino-Heptulosonate 7-Phosphate Synthase is Dimeric.
Plos One, 11, 2016
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4UMA
 | | Structural analysis of substrate-mimicking inhibitors in complex with Neisseria meningitidis 3 deoxy D arabino heptulosonate 7 phosphate synthase the importance of accommodating the active site water | | Descriptor: | (E)-2-METHYL-3-PHOSPHONOACRYLATE, MANGANESE (II) ION, PHOSPHO-2-DEHYDRO-3-DEOXYHEPTONATE ALDOLASE | | Authors: | Heyes, L.C, Reichau, S, Cross, P.J, Parker, E.J. | | Deposit date: | 2014-05-16 | | Release date: | 2014-10-08 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | Structural Analysis of Substrate-Mimicking Inhibitors in Complex with Neisseria Meningitidis 3-Deoxy-D-Arabino-Heptulosonate 7-Phosphate Synthase - the Importance of Accommodating the Active Site Water.
Bioorg.Chem., 57, 2014
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4USC
 | | Crystal structure of peroxidase from palm tree Chamaerops excelsa | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | Authors: | Bernardes, A, Santos, J.C, Textor, L.C, Cuadrado, N.H, Kostetsky, E.Y, Roig, M.G, Muniz, J.R.C, Shnyrov, V.L, Polikarpov, I. | | Deposit date: | 2014-07-07 | | Release date: | 2015-05-27 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Crystal Structure Analysis of Peroxidase from the Palm Tree Chamaerops Excelsa.
Biochimie, 111, 2015
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1KEL
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8U0P
 | | Synaptic complex of human DNA polymerase Lambda DL variant engaged on a noncomplementary DNA double-strand break | | Descriptor: | 2'-DEOXYURIDINE 5'-ALPHA,BETA-IMIDO-TRIPHOSPHATE, CHLORIDE ION, DNA (5'-D(*CP*AP*GP*TP*AP*C)-3'), ... | | Authors: | Kaminski, A.M, Pedersen, L.C, Bebenek, K, Kunkel, T.A, Chiruvella, K.K, Ramsden, D.A. | | Deposit date: | 2023-08-29 | | Release date: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | DNA polymerase lambda Loop1 variant yields unexpected gain-of-function capabilities in nonhomologous end-joining.
DNA Repair (Amst), 136, 2024
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8U0O
 | | Synaptic complex of human DNA polymerase Lambda DL variant engaged on a DNA double-strand break containing an unpaired 3' primer terminus | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, DNA (5'-D(*AP*CP*GP*CP*GP*GP*CP*A)-3'), ... | | Authors: | Kaminski, A.M, Pedersen, L.C, Bebenek, K, Kunkel, T.A, Chiruvella, K.K, Ramsden, D.A. | | Deposit date: | 2023-08-29 | | Release date: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | DNA polymerase lambda Loop1 variant yields unexpected gain-of-function capabilities in nonhomologous end-joining.
DNA Repair (Amst), 136, 2024
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2LZT
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3H0O
 | | The importance of CH-Pi stacking interactions between carbohydrate and aromatic residues in truncated Fibrobacter succinogenes 1,3-1,4-beta-D-glucanase | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, Beta-glucanase, ... | | Authors: | Tsai, L.C, Hsiao, C.H. | | Deposit date: | 2009-04-09 | | Release date: | 2010-04-21 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | The importance of CH-Pi stacking interactions between carbohydrate and aromatic residues in truncated Fibrobacter succinogenes 1,3-1,4-beta-D-glucanase
To be Published
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3HR9
 | | The truncated Fibrobacter succinogenes 1,3-1,4-beta-D-glucanase F40I mutant | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, Beta-glucanase, ... | | Authors: | Tsai, L.C, Huang, H.C, Hsiao, C.H. | | Deposit date: | 2009-06-09 | | Release date: | 2009-07-07 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | The truncated Fibrobacter succinogenes 1,3-1,4-beta-D-glucanase mutant F40I
To be Published
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5JH7
 | | Tubulin-Eribulin complex | | Descriptor: | (1S,3S,6S,9S,12S,14R,16R,18S,20R,21R,22S,26R,29S,31R,32S,33R,35R,36S)-20-[(2S)-3-amino-2-hydroxypropyl]-21-methoxy-14-methyl-8,15-dimethylidene-2,19,30,34,37,39,40,41-octaoxanonacyclo[24.9.2.1~3,32~.1~3,33~.1~6,9~.1~12,16~.0~18,22~.0~29,36~.0~31,35~]hentetracontan-24-one (non-preferred name), 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ... | | Authors: | Doodhi, H, Prota, A.E, Rodriguez-Garcia, R, Xiao, H, Custar, D.W, Bargsten, K, Katrukha, E.A, Hilbert, M, Hua, S, Jiang, K, Grigoriev, I, Yang, C.-P.H, Cox, D, Band Horwitz, S, Kapitein, L.C, Akhmanova, A, Steinmetz, M.O. | | Deposit date: | 2016-04-20 | | Release date: | 2016-06-29 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Termination of Protofilament Elongation by Eribulin Induces Lattice Defects that Promote Microtubule Catastrophes.
Curr.Biol., 26, 2016
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5JX5
 | | GH6 Orpinomyces sp. Y102 enzyme | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, ACETATE ION, ... | | Authors: | Tsai, L.C, Huang, H.C. | | Deposit date: | 2016-05-12 | | Release date: | 2017-05-17 | | Last modified: | 2019-10-30 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal structures of GH6 Orpinomyces sp. Y102 CelC7 enzyme with exo- and endo- activity in a complex with cellobiose
Acta Crystallogr.,Sect.D, 2019
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6B6I
 | | 2.4A resolution structure of human Norovirus GII.4 protease | | Descriptor: | 3C-like protease | | Authors: | Muzzarelli, K.M, Kuiper, B.D, Spellmon, N.S, Hackett, J, Brunzelle, J.S, Kovari, I.A, Amblard, F, Yang, Z, Schinazi, R.F, Kovari, L.C. | | Deposit date: | 2017-10-02 | | Release date: | 2018-10-03 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.44 Å) | | Cite: | Structural and Antiviral Studies of the Human Norovirus GII.4 Protease.
Biochemistry, 58, 2019
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1TW7
 | | Wide Open 1.3A Structure of a Multi-drug Resistant HIV-1 Protease Represents a Novel Drug Target | | Descriptor: | SODIUM ION, protease | | Authors: | Martin, P, Vickrey, J.F, Proteasa, G, Jimenez, Y.L, Wawrzak, Z, Winters, M.A, Merigan, T.C, Kovari, L.C. | | Deposit date: | 2004-06-30 | | Release date: | 2005-07-19 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Wide Open 1.3A Structure of a Multi-drug Resistant HIV-1 Protease Represents a Novel Drug Target
Structure, 13, 2005
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8D3B
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6BBL
 | | Crystal structure of the a-96Gln MoFe protein variant in the presence of the substrate acetylene | | Descriptor: | 3-HYDROXY-3-CARBOXY-ADIPIC ACID, FE (III) ION, FE(8)-S(7) CLUSTER, ... | | Authors: | Zadvornyy, O.A, Keable, S.M, Vertemara, J, Eilers, B.J, Karamatullah, D, Rasmussen, A.J, De Gioia, L, Zampella, G, Seefeldt, L.C, Peters, J.W. | | Deposit date: | 2017-10-18 | | Release date: | 2018-01-10 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.68 Å) | | Cite: | Structural characterization of the nitrogenase molybdenum-iron protein with the substrate acetylene trapped near the active site.
J. Inorg. Biochem., 180, 2017
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