1BMX
 
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3ZWB
 | | CRYSTAL STRUCTURE OF RAT PEROXISOMAL MULTIFUNCTIONAL ENZYME TYPE 1 (RPMFE1) COMPLEXED WITH 2TRANS-HEXENOYL-COA | | Descriptor: | (2E)-Hexenoyl-CoA, GLYCEROL, PEROXISOMAL BIFUNCTIONAL ENZYME, ... | | Authors: | Kasaragod, P, Schmitz, W, Hiltunen, J.K, Wierenga, R.K. | | Deposit date: | 2011-07-28 | | Release date: | 2012-08-08 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | The Isomerase and Hydratase Reaction Mechanism of the Crotonase Active Site of the Multifunctional Enzyme (Type-1), as Deduced from Structures of Complexes with 3S-Hydroxy- Acyl-Coa.
FEBS J., 280, 2013
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1FHL
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2AH6
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3ZWC
 | | CRYSTAL STRUCTURE OF RAT PEROXISOMAL MULTIFUNCTIONAL ENZYME TYPE 1 (RPMFE1) COMPLEXED WITH 3S-HYDROXY-DECANOYL-COA | | Descriptor: | (S)-3-HYDROXYDECANOYL-COA, GLYCEROL, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | | Authors: | Kasaragod, P, Schmitz, W, Hiltunen, J.K, Wierenga, R.K. | | Deposit date: | 2011-07-28 | | Release date: | 2012-08-08 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | The Isomerase and Hydratase Reaction Mechanism of the Crotonase Active Site of the Multifunctional Enzyme (Type-1), as Deduced from Structures of Complexes with 3S-Hydroxy- Acyl-Coa.
FEBS J., 280, 2013
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5U8Q
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3ISG
 | | Structure of the class D beta-lactamase OXA-1 in complex with doripenem | | Descriptor: | (2S,3R,4S)-2-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-3-methyl-4-({(3S,5S)-5-[(sulfamoylamino)methyl]pyrrolidin-3-yl}sulfanyl)-3,4-dihydro-2H-pyrrole-5-carboxylic acid, (4S)-2-METHYL-2,4-PENTANEDIOL, Beta-lactamase OXA-1 | | Authors: | Powers, R.A. | | Deposit date: | 2009-08-25 | | Release date: | 2009-12-01 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | The 1.4 A crystal structure of the class D beta-lactamase OXA-1 complexed with doripenem.
Biochemistry, 48, 2009
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1SPJ
 | | STRUCTURE OF MATURE HUMAN TISSUE KALLIKREIN (HUMAN KALLIKREIN 1 OR KLK1) AT 1.70 ANGSTROM RESOLUTION WITH VACANT ACTIVE SITE | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETIC ACID, CALCIUM ION, ... | | Authors: | Laxmikanthan, G, Blaber, S.I, Bernett, M.J, Blaber, M. | | Deposit date: | 2004-03-16 | | Release date: | 2005-01-25 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | 1.70 A X-ray structure of human apo kallikrein 1: Structural changes upon peptide inhibitor/substrate binding
Proteins, 58, 2005
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4RVI
 | | Crystal structure of multidrug-resistant clinical isolate A02 HIV-1 protease in complex with non-peptidic inhibitor, GRL0519 | | Descriptor: | (3R,3aS,3bR,6aS,7aS)-octahydrodifuro[2,3-b:3',2'-d]furan-3-yl [(1S,2R)-1-benzyl-2-hydroxy-3-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}propyl]carbamate, HIV-1 protease | | Authors: | Yedidi, R.S, Garimella, H, Kaufman, J.D, Das, D, Wingfield, P.T, Ghosh, A.K, Mitsuya, H. | | Deposit date: | 2014-11-26 | | Release date: | 2016-05-04 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | Enhanced antiviral activity by the P2-tris-tetrahydrofuran moiety of GRL-0519, a novel nonpeptidic HIV-1 protease inhibitor (PI), against multi-PI-resistant and highly darunavir-resistant strains of HIV-1
To be Published
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4RW6
 | | Crystal Structure of HIV-1 Reverse Transcriptase (Y181C) variant in complex with (E)-3-(3-chloro-5-(4-chloro-2-(2-(2,4-dioxo-3,4- dihydropyrimidin-1(2H)-yl)ethoxy)phenoxy)phenyl)acrylonitrile (JLJ494), a Non-nucleoside Inhibitor | | Descriptor: | (2E)-3-(3-chloro-5-{4-chloro-2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}phenyl)prop-2-enenitrile, Reverse transcriptase/ribonuclease H, p51 subunit, ... | | Authors: | Frey, K.M, Anderson, K.S. | | Deposit date: | 2014-12-01 | | Release date: | 2015-04-29 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.631 Å) | | Cite: | Structure-Based Evaluation of Non-nucleoside Inhibitors with Improved Potency and Solubility That Target HIV Reverse Transcriptase Variants.
J.Med.Chem., 58, 2015
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3IMH
 | | CRYSTAL STRUCTURE OF GALACTOSE 1-EPIMERASE FROM Lactobacillus acidophilus NCFM | | Descriptor: | CHLORIDE ION, GLYCEROL, Galactose-1-epimerase, ... | | Authors: | Patskovsky, Y, Toro, R, Dickey, M, Chang, S, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | | Deposit date: | 2009-08-10 | | Release date: | 2009-08-18 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | CRYSTAL STRUCTURE OF GALACTOSE 1-EPIMERASE FROM Lactobacillus acidophilus
To be Published
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1REF
 | | ENDO-1,4-BETA-XYLANASE II COMPLEX WITH 2,3-EPOXYPROPYL-BETA-D-XYLOSIDE | | Descriptor: | (2R)-oxiran-2-ylmethyl beta-D-xylopyranoside, BENZOIC ACID, ENDO-1,4-BETA-XYLANASE II | | Authors: | Rouvinen, J, Havukainen, R, Torronen, A. | | Deposit date: | 1995-12-21 | | Release date: | 1997-01-11 | | Last modified: | 2024-12-25 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Covalent binding of three epoxyalkyl xylosides to the active site of endo-1,4-xylanase II from Trichoderma reesei.
Biochemistry, 35, 1996
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2ZQM
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4N8D
 | | DPP4 complexed with syn-7aa | | Descriptor: | 1-(cis-1-phenyl-4-{[(2E)-3-phenylprop-2-en-1-yl]oxy}cyclohexyl)methanamine, 2-acetamido-2-deoxy-beta-D-glucopyranose, Dipeptidyl peptidase 4, ... | | Authors: | Ostermann, N, Zink, F, Kroemer, M. | | Deposit date: | 2013-10-17 | | Release date: | 2014-02-12 | | Last modified: | 2024-11-27 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Discovery of C-(1-aryl-cyclohexyl)-methylamines as selective, orally available inhibitors of dipeptidyl peptidase IV.
Bioorg.Med.Chem.Lett., 24, 2014
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1RLD
 | | SOLID-STATE PHASE TRANSITION IN THE CRYSTAL STRUCTURE OF RIBULOSE 1,5-BIPHOSPHATE CARBOXYLASE(SLASH)OXYGENASE | | Descriptor: | RIBULOSE 1,5 BISPHOSPHATE CARBOXYLASE/OXYGENASE (LARGE CHAIN), RIBULOSE 1,5 BISPHOSPHATE CARBOXYLASE/OXYGENASE (SMALL CHAIN) | | Authors: | Zhang, K.Y.J, Eisenberg, D. | | Deposit date: | 1993-12-10 | | Release date: | 1994-04-30 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Solid-state phase transition in the crystal structure of ribulose 1,5-bisphosphate carboxylase/oxygenase.
Acta Crystallogr.,Sect.D, 50, 1994
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3UPZ
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3UH4
 | | TANKYRASE-1 complexed with NVP-XAV939 | | Descriptor: | 2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-4-ol, GLYCEROL, SULFATE ION, ... | | Authors: | Stams, T, Kirby, C. | | Deposit date: | 2011-11-03 | | Release date: | 2012-02-15 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure of human tankyrase 1 in complex with small-molecule inhibitors PJ34 and XAV939.
Acta Crystallogr.,Sect.F, 68, 2012
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3UH2
 | | Tankyrase-1 in complexed with PJ34 | | Descriptor: | N~2~,N~2~-DIMETHYL-N~1~-(6-OXO-5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE, SULFATE ION, Tankyrase-1, ... | | Authors: | Kirby, C.A, Stams, T. | | Deposit date: | 2011-11-03 | | Release date: | 2012-02-15 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure of human tankyrase 1 in complex with small-molecule inhibitors PJ34 and XAV939.
Acta Crystallogr.,Sect.F, 68, 2012
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3QN8
 | | HIV-1 protease (mutant Q7K L33I L63I) in complex with a novel inhibitor | | Descriptor: | (4aS,7aS)-1,4-bis(3-hydroxybenzyl)hexahydro-1H-pyrrolo[3,4-b]pyrazine-2,3-dione, CHLORIDE ION, Protease | | Authors: | Lindemann, I, Heine, A, Klebe, G. | | Deposit date: | 2011-02-08 | | Release date: | 2012-02-08 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.382 Å) | | Cite: | Novel inhibitors for HIV-1 protease
To be Published
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2VXL
 | | Screening a Limited Structure-based Library Identifies UDP-GalNAc- Specific Mutants of alpha-1,3 Galactosyltransferase | | Descriptor: | MANGANESE (II) ION, N-ACETYLLACTOSAMINIDE ALPHA-1,3-GALACTOSYLTRANSFERASE, URIDINE-5'-DIPHOSPHATE | | Authors: | Tumbale, P, Jamaluddin, H, Thiyagarajan, N, Acharya, K.R, Brew, K. | | Deposit date: | 2008-07-07 | | Release date: | 2008-09-23 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Screening a Limited Structure-Based Library Identifies Udp-Galnac-Specific Mutants of {Alpha}-1,3-Galactosyltransferase.
Glycobiology, 18, 2008
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1YA8
 | | Crystal Structure of Human Liver Carboxylesterase in complex with cleavage products of Mevastatin | | Descriptor: | (1S,7S,8S,8AR)-1,2,3,7,8,8A-HEXAHYDRO-7-METHYL-8-[2-[(2R,4R)-TETRAHYDRO-4-HY DROXY-6-OXO-2H-PYRAN-2-YL]ETHYL]-1-NAPHTHALENOL, 2-METHYLBUTANOIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Fleming, C.D, Bencharit, S, Edwards, C.C, Hyatt, J.L, Morton, C.L, Howard-Williams, E.L, Potter, P.M, Redinbo, M.R. | | Deposit date: | 2004-12-17 | | Release date: | 2005-08-02 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structural insights into drug processing by human carboxylesterase 1: tamoxifen, mevastatin, and inhibition by benzil.
J.Mol.Biol., 352, 2005
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3DS5
 | | HIV-1 capsid C-terminal domain mutant (N183A) | | Descriptor: | HIV-1 CAPSID PROTEIN | | Authors: | Igonet, S, Vaney, M.C, Rey, F.A. | | Deposit date: | 2008-07-11 | | Release date: | 2008-09-02 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Residues in the HIV-1 Capsid Assembly Inhibitor Binding Site Are Essential for Maintaining the Assembly-competent Quaternary Structure of the Capsid Protein.
J.Biol.Chem., 283, 2008
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3DTJ
 | | HIV-1 capsid C-terminal domain mutant (E187A) | | Descriptor: | HIV-1 capsid protein | | Authors: | Igonet, S, Vaney, M.C, Rey, F.A. | | Deposit date: | 2008-07-15 | | Release date: | 2008-09-02 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (4 Å) | | Cite: | Residues in the HIV-1 Capsid Assembly Inhibitor Binding Site Are Essential for Maintaining the Assembly-competent Quaternary Structure of the Capsid Protein.
J.Biol.Chem., 283, 2008
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4GYQ
 | | Crystal Structure of New Delhi Metallo-beta-Lactamase-1 D223A mutant from Klebsiella pneumoniae | | Descriptor: | 1,2-ETHANEDIOL, Beta-lactamase NDM-1, MAGNESIUM ION | | Authors: | Kim, Y, Tesar, C, Jedrzejczak, R, Babnigg, J, Binkowski, T.A, Mire, J, Sacchettini, J, Joachimiak, A, MCSG, Midwest Center for Structural Genomics (MCSG), Structures of Mtb Proteins Conferring Susceptibility to Known Mtb Inhibitors (MTBI) | | Deposit date: | 2012-09-05 | | Release date: | 2012-09-26 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.351 Å) | | Cite: | Crystal Structure of New Delhi Metallo-beta-Lactamase-1 D223A mutant from Klebsiella pneumoniae
To be Published, 2012
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3TSR
 | | X-ray structure of mouse ribonuclease inhibitor complexed with mouse ribonuclease 1 | | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Ribonuclease inhibitor, ... | | Authors: | Chang, A, Lomax, J.E, Bingman, C.A, Raines, R.T, Phillips Jr, G.N. | | Deposit date: | 2011-09-13 | | Release date: | 2012-09-19 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.1999 Å) | | Cite: | Functional evolution of ribonuclease inhibitor: insights from birds and reptiles.
J.Mol.Biol., 426, 2014
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