7MX6
 
 | | Leishmania major dihydroorotate dehydrogenase in complex with [4-(1H-pyrrol-1-yl)phenyl]methanol | | Descriptor: | 4-(1H-pyrrol-1-yl)aniline, Dihydroorotate dehydrogenase (fumarate), FLAVIN MONONUCLEOTIDE, ... | | Authors: | Pinheiro, M.P, Hunter, W.N, Cardoso, I.A, Nonato, M.C. | | Deposit date: | 2021-05-18 | | Release date: | 2022-05-18 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Leishmania major dihydroorotate dehydrogenase in complex with [4-(1H-pyrrol-1-yl)phenyl]methanol
To be Published
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3EP3
 | | Human AdoMetDC D174N mutant with no putrescine bound | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, PYRUVIC ACID, S-adenosylmethionine decarboxylase alpha chain, ... | | Authors: | Bale, S, Lopez, M.M, Makhatadze, G.I, Fang, Q, Pegg, A.E, Ealick, S.E. | | Deposit date: | 2008-09-29 | | Release date: | 2008-12-23 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.84 Å) | | Cite: | Structural Basis for Putrescine Activation of Human S-Adenosylmethionine Decarboxylase.
Biochemistry, 47, 2008
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6KB0
 | | X-ray structure of human PPARalpha ligand binding domain-5,8,11,14-eicosatetraynoic acid (ETYA) co-crystals obtained by soaking | | Descriptor: | GLYCEROL, Peroxisome proliferator-activated receptor alpha, icosa-5,8,11,14-tetraynoic acid | | Authors: | Kamata, S, Suda, K, Saito, K, Oyama, T, Ishii, I. | | Deposit date: | 2019-06-24 | | Release date: | 2020-11-11 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | PPAR alpha Ligand-Binding Domain Structures with Endogenous Fatty Acids and Fibrates.
Iscience, 23, 2020
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1XGE
 | | Dihydroorotase from Escherichia coli: Loop Movement and Cooperativity between subunits | | Descriptor: | (4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-4-CARBOXYLIC ACID, Dihydroorotase, N-CARBAMOYL-L-ASPARTATE, ... | | Authors: | Lee, M, Chan, C.W, Guss, J.M, Christopherson, R.I, Maher, M.J. | | Deposit date: | 2004-09-17 | | Release date: | 2005-04-26 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Dihydroorotase from Escherichia coli: Loop Movement and Cooperativity between Subunits
J.Mol.Biol., 348, 2005
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6K91
 | | Pyridoxal Kinase from Leishmania donovani in complex with ADP and Pyridoxine | | Descriptor: | 4,5-bis(hydroxymethyl)-2-methyl-pyridin-3-ol, ADENOSINE-5'-DIPHOSPHATE, CALCIUM ION, ... | | Authors: | Are, S, Gatreddi, S, Qureshi, I.A. | | Deposit date: | 2019-06-13 | | Release date: | 2020-03-25 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural attributes and substrate specificity of pyridoxal kinase from Leishmania donovani.
Int.J.Biol.Macromol., 152, 2020
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6K1F
 | | Crystal structure of the L-fucose isomerase from Raoultella sp. | | Descriptor: | L-fucose isomerase, MANGANESE (II) ION | | Authors: | Kim, I.J, Kim, D.H, Nam, K.H, Kim, K.H. | | Deposit date: | 2019-05-10 | | Release date: | 2020-05-13 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Enzymatic synthesis of l-fucose from l-fuculose using a fucose isomerase fromRaoultellasp. and the biochemical and structural analyses of the enzyme.
Biotechnol Biofuels, 12, 2019
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6KB1
 | | X-ray structure of human PPARalpha ligand binding domain-tetradecylthioacetic acid (TTA) co-crystals obtained by soaking | | Descriptor: | 2-tetradecylsulfanylethanoic acid, GLYCEROL, Peroxisome proliferator-activated receptor alpha | | Authors: | Kamata, S, Suda, K, Saito, K, Oyama, T, Ishii, I. | | Deposit date: | 2019-06-24 | | Release date: | 2020-11-11 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | PPAR alpha Ligand-Binding Domain Structures with Endogenous Fatty Acids and Fibrates.
Iscience, 23, 2020
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1RGN
 | | Structure of the reaction centre from Rhodobacter sphaeroides carotenoidless strain R-26.1 reconstituted with spheroidene | | Descriptor: | BACTERIOCHLOROPHYLL A, BACTERIOPHEOPHYTIN A, FE (III) ION, ... | | Authors: | Roszak, A.W, Frank, H.A, McKendrick, K, Mitchell, I.A, Cogdell, R.J, Isaacs, N.W. | | Deposit date: | 2003-11-12 | | Release date: | 2004-04-27 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Protein Regulation of Carotenoid Binding: Gatekeeper and Locking Amino Acid Residues in Reaction Centers of Rhodobacter sphaeroides
STRUCTURE, 12, 2004
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6B81
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6KDM
 | | HIV-1 reverse transcriptase with Q151M/Y115F/F116Y:DNA:entecavir 5'-triphosphate ternary complex | | Descriptor: | DNA/RNA (38-MER), GLYCEROL, HIV-1 RT p51 subunit, ... | | Authors: | Yasutake, Y, Hattori, S.I, Tamura, N, Maeda, K. | | Deposit date: | 2019-07-02 | | Release date: | 2020-03-04 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.32 Å) | | Cite: | Structural features in common of HBV and HIV-1 resistance against chirally-distinct nucleoside analogues entecavir and lamivudine.
Sci Rep, 10, 2020
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2IXF
 | | Crystal structure of the ATPase domain of TAP1 with ATP (D645Q, Q678H mutant) | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, ANTIGEN PEPTIDE TRANSPORTER 1, GLYCEROL, ... | | Authors: | Procko, E, Ferrin-O'Connell, I, Ng, S.-L, Gaudet, R. | | Deposit date: | 2006-07-08 | | Release date: | 2006-10-11 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Distinct Structural and Functional Properties of the ATPase Sites in an Asymmetric Abc Transporter.
Mol.Cell, 24, 2001
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1RTW
 | | X-ray Structure of PF1337, a TenA Homologue from Pyrococcus furiosus. Northeast Structural Genomics Research Consortium (Nesg) Target PFR34 | | Descriptor: | (4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL DIHYDROGEN PHOSPHATE, PHOSPHATE ION, transcriptional activator, ... | | Authors: | Benach, J, Edstrom, W.C, Lee, I, Rong, X, Acton, T.B, Montelione, G.T, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2003-12-10 | | Release date: | 2004-01-13 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | The 2.35 A structure of the TenA homolog from Pyrococcus furiosus supports an enzymatic function in thiamine metabolism.
Acta Crystallogr.,Sect.D, 61, 2005
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2P3D
 | | Crystal Structure of the multi-drug resistant mutant subtype F HIV protease complexed with TL-3 inhibitor | | Descriptor: | Pol protein, benzyl [(1S,4S,7S,8R,9R,10S,13S,16S)-7,10-dibenzyl-8,9-dihydroxy-1,16-dimethyl-4,13-bis(1-methylethyl)-2,5,12,15,18-pentaoxo-20-phenyl-19-oxa-3,6,11,14,17-pentaazaicos-1-yl]carbamate | | Authors: | Sanches, M, Krauchenco, S, Martins, N.H, Gustchina, A, Wlodawer, A, Polikarpov, I. | | Deposit date: | 2007-03-08 | | Release date: | 2007-04-24 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structural Characterization of B and non-B Subtypes of HIV-Protease: Insights into the Natural Susceptibility to Drug Resistance Development.
J.Mol.Biol., 369, 2007
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1RUF
 | | RHINOVIRUS 14 (HRV14) (MUTANT WITH ASN 1 219 REPLACED BY ALA (N219A IN CHAIN 1) | | Descriptor: | RHINOVIRUS 14 | | Authors: | Hadfield, A, Oliveira, M.A, Kim, K.H, Minor, I, Kremer, M.J, Heinz, B.A, Shepard, D, Pevear, D.C, Rueckert, R.R, Rossmann, M.G. | | Deposit date: | 1995-06-09 | | Release date: | 1995-11-14 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Structural studies on human rhinovirus 14 drug-resistant compensation mutants.
J.Mol.Biol., 253, 1995
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9BBB
 | | Human CYP3A4 bound to an inhibitor | | Descriptor: | Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE, cobicistat | | Authors: | Sevrioukova, I.F. | | Deposit date: | 2024-04-05 | | Release date: | 2024-07-03 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Interaction of CYP3A4 with the inhibitor cobicistat: Structural and mechanistic insights and comparison with ritonavir
to be published
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7NQM
 | | Mycobacterium tuberculosis Cytochrome P450 CYP121 in complex with lead compound 10 | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3-(2-pyrimidin-4-ylethyl)-1~{H}-indole, CHLORIDE ION, ... | | Authors: | Selvam, I.R. | | Deposit date: | 2021-03-01 | | Release date: | 2022-02-02 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | A new strategy for hit generation: Novel in cellulo active inhibitors of CYP121A1 from Mycobacterium tuberculosis via a combined X-ray crystallographic and phenotypic screening approach (XP screen).
Eur.J.Med.Chem., 230, 2022
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7NQO
 | | Mycobacterium tuberculosis Cytochrome P450 CYP121 in complex with lead compound 21 | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-[4-[2-(5-bromanyl-1~{H}-indol-3-yl)ethyl]pyrimidin-2-yl]morpholine, CHLORIDE ION, ... | | Authors: | Selvam, I.R. | | Deposit date: | 2021-03-01 | | Release date: | 2022-02-02 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | A new strategy for hit generation: Novel in cellulo active inhibitors of CYP121A1 from Mycobacterium tuberculosis via a combined X-ray crystallographic and phenotypic screening approach (XP screen).
Eur.J.Med.Chem., 230, 2022
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4ONG
 | | Fab fragment of 3D6 in complex with amyloid beta 1-40 | | Descriptor: | 3D6 FAB ANTIBODY HEAVY CHAIN, 3D6 FAB ANTIBODY LIGHT CHAIN, Amyloid beta A4 protein, ... | | Authors: | Feinberg, H, Saldanha, J.W, Diep, L, Goel, A, Widom, A, Veldman, G.M, Weis, W.I, Schenk, D, Basi, G.S. | | Deposit date: | 2014-01-28 | | Release date: | 2014-06-11 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal structure reveals conservation of amyloid-beta conformation recognized by 3D6 following humanization to bapineuzumab.
Alzheimers Res Ther, 6, 2014
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6KNT
 | | Crystal structure of the metallo-beta-lactamase fold protein YhfI from Bacillus subtilis (space group P4332) | | Descriptor: | Putative metal-dependent hydrolase, ZINC ION | | Authors: | Na, H.W, Namgung, B, Song, W.S, Yoon, S.I. | | Deposit date: | 2019-08-07 | | Release date: | 2019-09-18 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural and biochemical analyses of the metallo-beta-lactamase fold protein YhfI from Bacillus subtilis.
Biochem.Biophys.Res.Commun., 519, 2019
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7NQN
 | | Mycobacterium tuberculosis Cytochrome P450 CYP121 in complex with lead compound 14 | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-[4-[2-(1~{H}-indol-3-yl)ethyl]pyrimidin-2-yl]morpholine, CHLORIDE ION, ... | | Authors: | Selvam, I.R. | | Deposit date: | 2021-03-01 | | Release date: | 2022-02-02 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | A new strategy for hit generation: Novel in cellulo active inhibitors of CYP121A1 from Mycobacterium tuberculosis via a combined X-ray crystallographic and phenotypic screening approach (XP screen).
Eur.J.Med.Chem., 230, 2022
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6BKB
 | | Structure of Hepatitis C Virus Envelope Glycoprotein E2 core from genotype 6a bound to broadly neutralizing antibody AR3A | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Fab AR3A heavy chain, ... | | Authors: | Tzarum, N, Wilson, I.A, Law, M. | | Deposit date: | 2017-11-08 | | Release date: | 2018-12-26 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.799 Å) | | Cite: | Genetic and structural insights into broad neutralization of hepatitis C virus by human VH1-69 antibodies.
Sci Adv, 5, 2019
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6BKQ
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2P3A
 | | Crystal Structure of the multi-drug resistant mutant subtype B HIV protease complexed with TL-3 inhibitor | | Descriptor: | benzyl [(1S,4S,7S,8R,9R,10S,13S,16S)-7,10-dibenzyl-8,9-dihydroxy-1,16-dimethyl-4,13-bis(1-methylethyl)-2,5,12,15,18-pentaoxo-20-phenyl-19-oxa-3,6,11,14,17-pentaazaicos-1-yl]carbamate, protease | | Authors: | Sanches, M, Krauchenco, S, Martins, N.H, Gustchina, A, Wlodawer, A, Polikarpov, I. | | Deposit date: | 2007-03-08 | | Release date: | 2007-04-24 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Structural Characterization of B and non-B Subtypes of HIV-Protease: Insights into the Natural Susceptibility to Drug Resistance Development.
J.Mol.Biol., 369, 2007
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2GJM
 | | Crystal structure of Buffalo lactoperoxidase at 2.75A resolution | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, CARBONATE ION, ... | | Authors: | Sheikh, I.A, Ethayathulla, A.S, Singh, A.K, Singh, N, Sharma, S, Singh, T.P. | | Deposit date: | 2006-03-31 | | Release date: | 2006-05-02 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Crystal structure of Buffalo lactoperoxidase at 2.75A resolution
To be Published
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5Z46
 | | Crystal structure of prenyltransferase AmbP1 pH8 complexed with GSPP and cis-indolyl vinyl isonitrile | | Descriptor: | 3-[(Z)-2-isocyanoethenyl]-1H-indole, AmbP1, GERANYL S-THIOLODIPHOSPHATE, ... | | Authors: | Awakawa, T, Nakashima, Y, Mori, T, Abe, I. | | Deposit date: | 2018-01-10 | | Release date: | 2018-06-06 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.999 Å) | | Cite: | Molecular Insight into the Mg2+-Dependent Allosteric Control of Indole Prenylation by Aromatic Prenyltransferase AmbP1
Angew. Chem. Int. Ed. Engl., 57, 2018
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