1JNW
 
 | | Active Site Structure of E. coli pyridoxine 5'-phosphate Oxidase | | Descriptor: | FLAVIN MONONUCLEOTIDE, PHOSPHATE ION, PYRIDOXAL-5'-PHOSPHATE, ... | | Authors: | di Salvo, M.L, Ko, T.P, Musayev, F.N, Raboni, S, Schirch, V, Safo, M.K. | | Deposit date: | 2001-07-25 | | Release date: | 2001-08-01 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.07 Å) | | Cite: | Active site structure and stereospecificity of Escherichia coli pyridoxine-5'-phosphate oxidase.
J.Mol.Biol., 315, 2002
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6H8V
 | | Beta-phosphoglucomutase from Lactococcus lactis in an open conformer in the P21 spacegroup to 1.8 A. | | Descriptor: | 1,2-ETHANEDIOL, 1,3-PROPANDIOL, Beta-phosphoglucomutase, ... | | Authors: | Robertson, A.J, Bisson, C, Waltho, J.P. | | Deposit date: | 2018-08-03 | | Release date: | 2020-08-26 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.84 Å) | | Cite: | Transition state of phospho-enzyme hydrolysis in beta-phosphoglucomutase.
To Be Published
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6BLF
 | | PDE2 complexed with 2-[6-fluoro-8-methylsulfonyl-9-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]-1,2,3,4-tetrahydrocarbazol-1-yl]acetic acid | | Descriptor: | MAGNESIUM ION, ZINC ION, [(1S)-6-fluoro-8-(methylsulfonyl)-9-{(1R)-1-[4-(trifluoromethyl)phenyl]ethyl}-2,3,4,9-tetrahydro-1H-carbazol-1-yl]acetic acid, ... | | Authors: | Su, H.P. | | Deposit date: | 2017-11-10 | | Release date: | 2018-11-14 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.11 Å) | | Cite: | Hydrolase complex
To Be Published
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3ZIZ
 | | Crystal structure of Podospora anserina GH5 beta-(1,4)-mannanase | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GH5 ENDO-BETA-1,4-MANNANASE, GLYCEROL | | Authors: | Couturier, M, Roussel, A, Rosengren, A, Leone, P, Stalbrand, H, Berrin, J.G. | | Deposit date: | 2013-01-15 | | Release date: | 2013-04-17 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Structural and Biochemical Analyses of Glycoside Hydrolase Families 5 and 26 Beta-(1,4)-Mannanases from Podospora Anserina Reveal Differences Upon Manno-Oligosaccharides Catalysis.
J.Biol.Chem., 288, 2013
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3D7R
 | | Crystal structure of a putative esterase from Staphylococcus aureus | | Descriptor: | BROMIDE ION, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | | Authors: | Lam, R, Battaile, K.P, Chan, T, Romanov, V, Lam, K, Soloveychik, M, Wu-Brown, J, Pai, E.F, Chirgadze, N.Y. | | Deposit date: | 2008-05-21 | | Release date: | 2009-06-09 | | Last modified: | 2017-10-25 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | Crystal structure of a putative esterase from Staphylococcus aureus
To be Published
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2W0H
 | | X ray structure of Leishmania infantum Trypanothione reductase in complex with antimony and NADPH | | Descriptor: | ANTIMONY (III) ION, FLAVIN-ADENINE DINUCLEOTIDE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | Authors: | Baiocco, P, Colotti, G, Franceschini, S, Ilari, A. | | Deposit date: | 2008-08-18 | | Release date: | 2009-04-28 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Molecular Basis of Antimony Treatment in Leishmaniasis.
J.Med.Chem., 52, 2009
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5U7O
 | | Crystal Structure of HIV-1 BG505 SOSIP.664 Prefusion Env Trimer Bound to Small Molecule HIV-1 Entry Inhibitor BMS-626529 in Complex with Human Antibodies PGT122 and 35O22 at 3.8 Angstrom | | Descriptor: | 1-[4-(benzenecarbonyl)piperazin-1-yl]-2-[4-methoxy-7-(3-methyl-1H-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]ethane-1,2-dione, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Pancera, M, Lai, Y.-T, Kwong, P.D. | | Deposit date: | 2016-12-12 | | Release date: | 2017-08-30 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (3.031 Å) | | Cite: | Crystal structures of trimeric HIV envelope with entry inhibitors BMS-378806 and BMS-626529.
Nat. Chem. Biol., 13, 2017
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2W7L
 | | Crystal structure of Y61AbsSHMT L-allo-Threonine external aldimine | | Descriptor: | ALLO-THREONINE, PYRIDOXAL-5'-PHOSPHATE, SERINE HYDROXYMETHYLTRANSFERASE | | Authors: | Rajaram, V, Bhavani, B.S, Bisht, S, Kaul, P, Prakash, V, Appaji Rao, N, Savithri, H.S, Murthy, M.R.N. | | Deposit date: | 2008-12-22 | | Release date: | 2010-08-18 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.41 Å) | | Cite: | Importance of Tyrosine Residues of Bacillus Stearothermophilus Serine Hydroxymethyltransferase in Cofactor Binding and L-Allo-Thr Cleavage.
FEBS J., 275, 2008
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6FLW
 | | Structure of AcmJRL, a mannose binding jacalin related lectin from Ananas comosus. | | Descriptor: | CITRIC ACID, Jacalin-like lectin | | Authors: | Azarkan, M, Herman, R, El Mahyaoui, R, Sauvage, E, Vanden Broeck, A, Charlier, P. | | Deposit date: | 2018-01-29 | | Release date: | 2018-08-15 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Biochemical and structural characterization of a mannose binding jacalin-related lectin with two-sugar binding sites from pineapple (Ananas comosus) stem.
Sci Rep, 8, 2018
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5EHM
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6BJ6
 | | Crystal Structure of Purine Nucleoside Phosphorylase Isoform 2 from Schistosoma mansoni in complex with 2-{[(S)-benzenesulfinyl]methyl}benzoic acid | | Descriptor: | 2-{[(S)-phenylsulfinyl]methyl}benzoic acid, DIMETHYL SULFOXIDE, Purine nucleoside phosphorylase | | Authors: | Faheem, M, Neto, J.B, Collins, P, Pearce, N.M, Valadares, N.F, Bird, L, Pereira, H.M, Delft, F.V, Barbosa, J.A.R.G. | | Deposit date: | 2017-11-05 | | Release date: | 2018-11-07 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.73 Å) | | Cite: | Crystal Structure of Purine Nucleoside Phosphorylase Isoform 2 from Schistosoma mansoni in complex with 2-{[(S)-benzenesulfinyl]methyl}benzoic acid
To Be Published
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3NR8
 | | Crystal structure of human SHIP2 | | Descriptor: | CHLORIDE ION, Phosphatidylinositol-3,4,5-trisphosphate 5-phosphatase 2 | | Authors: | Tresaugues, L, Welin, M, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, I, Karlberg, T, Kol, S, Kotenyova, T, Kouznetsova, E, Moche, M, Nyman, T, Persson, C, Schuler, H, Schutz, P, Siponen, M.I, Thorsell, A.G, van der Berg, S, Wahlberg, E, Weigelt, J, Nordlund, P, Structural Genomics Consortium (SGC) | | Deposit date: | 2010-06-30 | | Release date: | 2010-08-25 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structural basis for phosphoinositide substrate recognition, catalysis, and membrane interactions in human inositol polyphosphate 5-phosphatases
Structure, 22, 2014
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1RSD
 | | DHNA complex with 3-(5-Amino-7-hydroxy-[1,2,3]triazolo[4,5-d]pyrimidin-2-yl)-N-[2-(2-hydroxymethyl-phenylsulfanyl)-benzyl]-benzamide | | Descriptor: | 3-(5-AMINO-7-HYDROXY-[1,2,3]TRIAZOLO[4,5-D]PYRIMIDIN-2-YL)-N-[2-(2-(HYDROXYMETHYL-PHENYLSULFANYL)-BENZYL]-BENZAMIDE, Dihydroneopterin aldolase | | Authors: | Sanders, W.J, Nienaber, V.L, Lerner, C.G, McCall, J.O, Merrick, S.M, Swanson, S.J, Harlan, J.E, Stoll, V.S, Stamper, G.F, Betz, S.F, Condroski, K.R, Meadows, R.P, Severin, J.M, Walter, K.A, Magdalinos, P, Jakob, C.G, Wagner, R, Beutel, B.A. | | Deposit date: | 2003-12-09 | | Release date: | 2004-03-30 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Discovery of Potent Inhibitors of Dihydroneopterin Aldolase Using CrystaLEAD High-Throughput X-ray Crystallographic Screening and Structure-Directed Lead Optimization.
J.Med.Chem., 47, 2004
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2W7K
 | | Crystal structure of Y61AbsSHMT L-Serine external aldimine | | Descriptor: | PYRIDOXAL-5'-PHOSPHATE, SERINE, SERINE HYDROXYMETHYLTRANSFERASE | | Authors: | Rajaram, V, Bhavani, B.S, Bisht, S, Kaul, P, Prakash, V, Appaji Rao, N, Savithri, H.S, Murthy, M.R.N. | | Deposit date: | 2008-12-22 | | Release date: | 2010-08-18 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.42 Å) | | Cite: | Importance of Tyrosine Residues of Bacillus Stearothermophilus Serine Hydroxymethyltransferase in Cofactor Binding and L-Allo-Thr Cleavage.
FEBS J., 275, 2008
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2FX9
 | | Crystal structure of hiv-1 neutralizing human fab 4e10 in complex with a thioether-linked peptide encompassing the 4e10 epitope on gp41 | | Descriptor: | Fab 4E10, Fragment of HIV glycoprotein gp41 | | Authors: | Cardoso, R.M.F, Brunel, F.M, Ferguson, S, Burton, D.R, Dawson, P.E, Wilson, I.A. | | Deposit date: | 2006-02-03 | | Release date: | 2006-12-19 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural basis of enhanced binding of extended and helically constrained peptide epitopes of the broadly neutralizing HIV-1 antibody 4E10.
J.Mol.Biol., 365, 2007
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1FHT
 | | RNA-BINDING DOMAIN OF THE U1A SPLICEOSOMAL PROTEIN U1A117, NMR, 43 STRUCTURES | | Descriptor: | U1 SMALL NUCLEAR RIBONUCLEOPROTEIN A | | Authors: | Allain, F.H.-T, Gubser, C.C, Howe, P.W.A, Nagai, K, Neuhaus, D, Varani, G. | | Deposit date: | 1996-02-21 | | Release date: | 1996-07-11 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Solution structure of the N-terminal RNP domain of U1A protein: the role of C-terminal residues in structure stability and RNA binding.
J.Mol.Biol., 257, 1996
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6FPA
 | | Crystal structure of anti-mTFP1 DARPin 1238_G01 in space group P212121 | | Descriptor: | DARPin 1238_G01 | | Authors: | Jakob, R.P, Vigano, M.A, Bieli, D, Matsuda, S, Schaefer, J.V, Pluckthun, A, Affolter, M, Maier, T. | | Deposit date: | 2018-02-09 | | Release date: | 2018-10-03 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.58 Å) | | Cite: | DARPins recognizing mTFP1 as novel reagents forin vitroandin vivoprotein manipulations.
Biol Open, 7, 2018
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3ZV3
 | | CRYSTAL STRUCTURE OF CIS-BIPHENYL-2,3-DIHYDRODIOL-2,3-DEHYDROGENASE (BPHB)FROM PANDORAEA PNOMENUSA STRAIN B-356 IN INTERMEDIATE STATE OF SUBSTRATE BINDING LOOP | | Descriptor: | CIS-2,3-DIHYDROBIPHENYL-2,3-DIOL DEHYDROGENASE | | Authors: | Dhindwal, S, Patil, D.N, Kumar, P. | | Deposit date: | 2011-07-23 | | Release date: | 2011-08-31 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Biochemical Studies and Ligand-Bound Structures of Biphenyl Dehydrogenase from Pandoraea Pnomenusa Strain B-356 Reveal a Basis for Broad Specificity of the Enzyme.
J.Biol.Chem., 286, 2011
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2W2K
 | | Crystal structure of the apo forms of Rhodotorula graminis D- mandelate dehydrogenase at 1.8A. | | Descriptor: | D-MANDELATE DEHYDROGENASE | | Authors: | Vachieri, S.G, Cole, A.R, Bagneris, C, Baker, D.P, Fewson, C.A, Basak, A.K. | | Deposit date: | 2008-11-02 | | Release date: | 2009-11-17 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Crystal Structure of the Apo and Holo Forms of Rhodotorula Graminis D(-)-Mandelate Dehydrogenase
To be Published
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8AMY
 | | High-resolution crystal structure of the Mu8.1 conotoxin from Conus Mucronatus | | Descriptor: | 1-ETHOXY-2-(2-ETHOXYETHOXY)ETHANE, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, BICARBONATE ION, ... | | Authors: | Mueller, E, Hackney, C.M, Ellgaard, L, Morth, J.P. | | Deposit date: | 2022-08-04 | | Release date: | 2023-08-23 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.67 Å) | | Cite: | High-resolution crystal structure of the Mu8.1 conotoxin from Conus mucronatus.
Acta Crystallogr.,Sect.F, 79, 2023
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5YF5
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3ZWA
 | | CRYSTAL STRUCTURE OF RAT PEROXISOMAL MULTIFUNCTIONAL ENZYME TYPE 1 (RPMFE1) COMPLEXED WITH 3S-HYDROXY-HEXANOYL-COA | | Descriptor: | (S)-3-Hydroxyhexanoyl-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 (2.47 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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6FR7
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6HI4
 | | The ATAD2 bromodomain in complex with compound 7 | | Descriptor: | (2~{R})-2-azanyl-~{N}-[4-ethanoyl-5-(3-methoxyphenyl)-1,3-thiazol-2-yl]propanamide, ATPase family AAA domain-containing protein 2, SULFATE ION | | Authors: | Sledz, P, Caflisch, A. | | Deposit date: | 2018-08-29 | | Release date: | 2019-02-20 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.69 Å) | | Cite: | Hitting a Moving Target: Simulation and Crystallography Study of ATAD2 Bromodomain Blockers.
Acs Med.Chem.Lett., 11, 2020
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6HJJ
 | | Crystal structure of Aurora-A L210C catalytic domain in complex with ASDO6 ligand | | Descriptor: | 2,5,8,11-TETRAOXATRIDECANE, ACETATE ION, Aurora kinase A, ... | | Authors: | Bayliss, R, McIntyre, P.J. | | Deposit date: | 2018-09-04 | | Release date: | 2018-10-03 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (2.13 Å) | | Cite: | Type II Kinase Inhibitors Targeting Cys-Gatekeeper Kinases Display Orthogonality with Wild Type and Ala/Gly-Gatekeeper Kinases.
ACS Chem. Biol., 13, 2018
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