2BOY
 
 | | Crystal structure of 3-ChloroCatechol 1,2-Dioxygenase from Rhodococcus Opacus 1CP | | Descriptor: | 2-(HEXADECANOYLOXY)-1-[(PHOSPHONOOXY)METHYL]ETHYL HEXADECANOATE, 3-CHLOROCATECHOL 1,2-DIOXYGENASE, BENZHYDROXAMIC ACID, ... | | Authors: | Ferraroni, M, Solyanikova, I.P, Kolomytseva, M.P, Scozzafava, A, Golovleva, L.A, Briganti, F. | | Deposit date: | 2005-04-15 | | Release date: | 2006-08-24 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal structure of 3-chlorocatechol 1,2-dioxygenase key enzyme of a new modified ortho-pathway from the Gram-positive Rhodococcus opacus 1CP grown on 2-chlorophenol.
J. Mol. Biol., 360, 2006
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3T2D
 | | Fructose-1,6-bisphosphate aldolase/phosphatase from Thermoproteus neutrophilus, FBP-bound form | | Descriptor: | 1,6-di-O-phosphono-D-fructose, Fructose-1,6-bisphosphate aldolase/phosphatase, MAGNESIUM ION | | Authors: | Du, J, Say, R, Lue, W, Fuchs, G, Einsle, O. | | Deposit date: | 2011-07-22 | | Release date: | 2011-10-26 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.36 Å) | | Cite: | Active-site remodelling in the bifunctional fructose-1,6-bisphosphate aldolase/phosphatase.
Nature, 478, 2011
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3T2C
 | | Fructose-1,6-bisphosphate aldolase/phosphatase from Thermoproteus neutrophilus, DHAP-bound form | | Descriptor: | 1,3-DIHYDROXYACETONEPHOSPHATE, Fructose-1,6-bisphosphate aldolase/phosphatase, MAGNESIUM ION | | Authors: | Du, J, Say, R, Lue, W, Fuchs, G, Einsle, O. | | Deposit date: | 2011-07-22 | | Release date: | 2011-10-26 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Active-site remodelling in the bifunctional fructose-1,6-bisphosphate aldolase/phosphatase.
Nature, 478, 2011
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3T2G
 | | Fructose-1,6-bisphosphate aldolase/phosphatase from Thermoproteus neutrophilus, Y229F variant with DHAP | | Descriptor: | 1,3-DIHYDROXYACETONEPHOSPHATE, Fructose-1,6-bisphosphate aldolase/phosphatase, MAGNESIUM ION | | Authors: | Du, J, Say, R, Lue, W, Fuchs, G, Einsle, O. | | Deposit date: | 2011-07-22 | | Release date: | 2011-10-26 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Active-site remodelling in the bifunctional fructose-1,6-bisphosphate aldolase/phosphatase.
Nature, 478, 2011
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4DG1
 | | Crystal structure of HIV-1 reverse transcriptase (RT) with polymorphism mutation K172A and K173A | | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, MAGNESIUM ION, ... | | Authors: | Tu, X, Kirby, K.A, Marchand, B, Sarafianos, S.G. | | Deposit date: | 2012-01-24 | | Release date: | 2012-06-20 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | HIV-1 Reverse Transcriptase (RT) Polymorphism 172K Suppresses the Effect of Clinically Relevant Drug Resistance Mutations to Both Nucleoside and Non-nucleoside RT Inhibitors.
J.Biol.Chem., 287, 2012
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1HPX
 | | HIV-1 PROTEASE COMPLEXED WITH THE INHIBITOR KNI-272 | | Descriptor: | (4R)-N-tert-butyl-3-[(2S,3S)-2-hydroxy-3-({N-[(isoquinolin-5-yloxy)acetyl]-S-methyl-L-cysteinyl}amino)-4-phenylbutanoyl]-1,3-thiazolidine-4-carboxamide, HIV-1 PROTEASE | | Authors: | Bhat, T.N, Erickson, J.W. | | Deposit date: | 1995-05-18 | | Release date: | 1996-03-08 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure of HIV-1 protease with KNI-272, a tight-binding transition-state analog containing allophenylnorstatine.
Structure, 3, 1995
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4G0R
 | | Structural characterization of H-1 Parvovirus: comparison of infectious virions to replication defective particles | | Descriptor: | 1,2-ETHANEDIOL, 2'-DEOXYCYTIDINE-5'-MONOPHOSPHATE, CHLORIDE ION, ... | | Authors: | Halder, S, Agbandje-McKenna, M, Nam, H.-J, Govindasamy, L, Vogel, M, Dinsart, C, Salome, N, McKenna, R. | | Deposit date: | 2012-07-09 | | Release date: | 2013-02-27 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structural characterization of h-1 parvovirus: comparison of infectious virions to empty capsids.
J.Virol., 87, 2013
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4CM1
 | | Crystal structure of pteridine reductase 1 (PTR1) from Trypanosoma brucei in ternary complex with cofactor and inhibitor | | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 5-(p-tolyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine, ACETATE ION, ... | | Authors: | Barrack, K.L, Hunter, W.N. | | Deposit date: | 2014-01-15 | | Release date: | 2015-01-21 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structure-Based Design and Synthesis of Antiparasitic Pyrrolopyrimidines Targeting Pteridine Reductase 1.
J.Med.Chem., 57, 2014
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2QUT
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1E48
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1E47
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3BFJ
 | | Crystal structure analysis of 1,3-propanediol oxidoreductase | | Descriptor: | 1,3-propanediol oxidoreductase, FE (II) ION | | Authors: | Marcal, D, Enguita, F.J, Carrondo, M.A, Structural Proteomics in Europe (SPINE) | | Deposit date: | 2007-11-21 | | Release date: | 2008-11-25 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | 1,3-propanediol dehydrogenase from Klebsiella pneumoniae: decameric quaternary structure and possible subunit cooperativity
J.Bacteriol., 191, 2009
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4EQ0
 | | Crystal Structure of inactive single chain variant of HIV-1 Protease in Complex with the substrate p2-NC | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, BETA-MERCAPTOETHANOL, ... | | Authors: | Schiffer, C.A, Mittal, S. | | Deposit date: | 2012-04-17 | | Release date: | 2012-06-06 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structural, kinetic, and thermodynamic studies of specificity designed HIV-1 protease.
Protein Sci., 21, 2012
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3PMO
 | | The structure of LpxD from Pseudomonas aeruginosa at 1.3 A resolution | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, UDP-3-O-[3-hydroxymyristoyl] glucosamine N-acyltransferase | | Authors: | Badger, J, Chie-Leon, B, Logan, C, Sridhar, V, Sankaran, B, Zwart, P.H, Nienaber, V. | | Deposit date: | 2010-11-17 | | Release date: | 2011-07-27 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | The structure of LpxD from Pseudomonas aeruginosa at 1.3 A resolution.
Acta Crystallogr.,Sect.F, 67, 2011
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4O0V
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1DLT
 | | STRUCTURE OF CATECHOL 1,2-DIOXYGENASE FROM ACINETOBACTER SP. ADP1 WITH BOUND CATECHOL | | Descriptor: | CATECHOL, CATECHOL 1,2-DIOXYGENASE, FE (III) ION, ... | | Authors: | Vetting, M.W, Ohlendorf, D.H. | | Deposit date: | 1999-12-12 | | Release date: | 2000-05-23 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | The 1.8 A crystal structure of catechol 1,2-dioxygenase reveals a novel hydrophobic helical zipper as a subunit linker.
Structure Fold.Des., 8, 2000
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3EOJ
 | | Fmo protein from Prosthecochloris Aestuarii 2K AT 1.3A Resolution | | Descriptor: | 1,2-ETHANEDIOL, AMMONIUM ION, BACTERIOCHLOROPHYLL A, ... | | Authors: | Tronrud, D.E, Wen, J, Gay, L, Blankenship, R.E. | | Deposit date: | 2008-09-27 | | Release date: | 2009-05-12 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | The structural basis for the difference in absorbance spectra for the FMO antenna protein from various green sulfur bacteria.
Photosynth.Res., 100, 2009
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1JV0
 | | THE CRYSTAL STRUCTURE OF THE ZINC(II) ADDUCT OF THE CAI MICHIGAN 1 VARIANT | | Descriptor: | 1,2-ETHANEDIOL, CARBONIC ANHYDRASE I, CHLORIDE ION, ... | | Authors: | Briganti, F, Ferraroni, M, Chegwidden, W.R, Scozzafava, A, Supuran, C.T, Tilli, S. | | Deposit date: | 2001-08-28 | | Release date: | 2001-09-19 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structure of a zinc-activated variant of human carbonic anhydrase I, CA I Michigan 1: evidence for a second zinc binding site involving arginine coordination
Biochemistry, 41, 2002
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4O0X
 | | Back pocket flexibility provides group-II PAK selectivity for type 1 kinase inhibitors | | Descriptor: | 1-{[1-(4-amino-1,3,5-triazin-2-yl)-2-methyl-1H-benzimidazol-6-yl]ethynyl}cyclohexanol, Serine/threonine-protein kinase PAK 4 | | Authors: | Rouge, L, Tam, C, Wang, W. | | Deposit date: | 2013-12-14 | | Release date: | 2014-02-12 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.483 Å) | | Cite: | Back Pocket Flexibility Provides Group II p21-Activated Kinase (PAK) Selectivity for Type I 1/2 Kinase Inhibitors.
J.Med.Chem., 57, 2014
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4EQJ
 | | Crystal Structure of inactive single chain variant of HIV-1 Protease in Complex with the substrate RT-RH | | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, protease, ... | | Authors: | Schiffer, C.A, Mittal, S. | | Deposit date: | 2012-04-19 | | Release date: | 2012-06-06 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural, kinetic, and thermodynamic studies of specificity designed HIV-1 protease.
Protein Sci., 21, 2012
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3FB1
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5SYM
 | | Cocrystal structure of the human acyl protein thioesterase 1 with an isoform-selective inhibitor, ML348 | | Descriptor: | 1,2-ETHANEDIOL, Acyl-protein thioesterase 1, CHLORIDE ION, ... | | Authors: | Stuckey, J.A, Labby, K.J, Meagher, J.L, Won, S.J, Martin, B.R. | | Deposit date: | 2016-08-11 | | Release date: | 2016-10-26 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Molecular Mechanism for Isoform-Selective Inhibition of Acyl Protein Thioesterases 1 and 2 (APT1 and APT2).
ACS Chem. Biol., 11, 2016
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1I2Z
 | | E. COLI ENOYL REDUCTASE IN COMPLEX WITH NAD AND BRL-12654 | | Descriptor: | 4-(2-THIENYL)-1-(4-METHYLBENZYL)-1H-IMIDAZOLE, ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE | | Authors: | Heerding, D.A, Miller, W.H, Payne, D.J, Janson, C.A, Qiu, X. | | Deposit date: | 2001-02-12 | | Release date: | 2002-02-12 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | 1,4-Disubstituted imidazoles are potential antibacterial agents functioning as inhibitors of enoyl acyl carrier protein
reductase (FabI).
Bioorg.Med.Chem.Lett., 11, 2001
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4ELW
 | | Structure of E. coli. 1,4-dihydroxy-2- naphthoyl coenzyme A synthases (MENB) in complex with nitrate | | Descriptor: | 1,4-Dihydroxy-2-naphthoyl-CoA synthase, CHLORIDE ION, GLYCEROL, ... | | Authors: | Sun, Y.R, Song, H.G, Li, J, Jiang, M, Li, Y, Zhou, J.H, Guo, Z.H. | | Deposit date: | 2012-04-11 | | Release date: | 2012-06-06 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.551 Å) | | Cite: | Active site binding and catalytic role of bicarbonate in 1,4-dihydroxy-2-naphthoyl coenzyme A synthases from vitamin K biosynthetic pathways
Biochemistry, 51, 2012
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1S6P
 | | CRYSTAL STRUCTURE OF HUMAN IMMUNODEFICIENCY VIRUS TYPE 1 REVERSE TRANSCRIPTASE (RT) IN COMPLEX WITH JANSSEN-R100943 | | Descriptor: | 1-(4-CYANO-PHENYL)-3-[2-(2,6-DICHLORO-PHENYL)-1-IMINO-ETHYL]-THIOUREA, MAGNESIUM ION, POL polyprotein [Contains: Reverse transcriptase] | | Authors: | Das, K, Arnold, E. | | Deposit date: | 2004-01-26 | | Release date: | 2004-05-11 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Roles of Conformational and Positional Adaptability in Structure-Based Design of TMC125-R165335 (Etravirine) and Related Non-nucleoside Reverse Transcriptase Inhibitors That Are Highly Potent and Effective against Wild-Type and Drug-Resistant HIV-1 Variants
J.Med.Chem., 47, 2004
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