2WDZ
 
 | | Crystal structure of the short chain dehydrogenase Galactitol- Dehydrogenase (GatDH) of Rhodobacter sphaeroides in complex with NAD+ and 1,2-Pentandiol | | Descriptor: | (2S)-pentane-1,2-diol, MAGNESIUM ION, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | | Authors: | Carius, Y, Christian, H, Faust, A, Kornberger, P, Kohring, G.W, Giffhorn, F, Scheidig, A.J. | | Deposit date: | 2009-03-27 | | Release date: | 2010-03-31 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Structural Insight Into Substrate Differentiation of the Sugar-Metabolizing Enzyme Galactitol Dehydrogenase from Rhodobacter Sphaeroides D.
J.Biol.Chem., 285, 2010
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4IG2
 | | 1.80 Angstroms X-ray crystal structure of R51A and R239A heterodimer 2-amino-3-carboxymuconate-6-semialdehyde decarboxylase from Pseudomonas fluorescens | | Descriptor: | 2-amino-3-carboxymuconate 6-semialdehyde decarboxylase, ZINC ION | | Authors: | Huo, L, Davis, I, Chen, L, Liu, A. | | Deposit date: | 2012-12-15 | | Release date: | 2013-09-18 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | The power of two: arginine 51 and arginine 239* from a neighboring subunit are essential for catalysis in alpha-amino-beta-carboxymuconate-epsilon-semialdehyde decarboxylase.
J.Biol.Chem., 288, 2013
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2W92
 | | Structure of a Streptococcus pneumoniae family 85 glycoside hydrolase, Endo-D, in complex with NAG-thiazoline. | | Descriptor: | 3AR,5R,6S,7R,7AR-5-HYDROXYMETHYL-2-METHYL-5,6,7,7A-TETRAHYDRO-3AH-PYRANO[3,2-D]THIAZOLE-6,7-DIOL, ENDO-BETA-N-ACETYLGLUCOSAMINIDASE D, PENTAETHYLENE GLYCOL | | Authors: | Abbott, D.W, Macauley, M.S, Vocadlo, D.J, Boraston, A.B. | | Deposit date: | 2009-01-21 | | Release date: | 2009-01-27 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Streptococcus Pneumoniae Endohexosaminidase D, Structural and Mechanistic Insight Into Substrate-Assisted Catalysis in Family 85 Glycoside Hydrolases.
J.Biol.Chem., 284, 2009
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6PVH
 | | Crystal structure of PhqK in complex with paraherquamide K | | Descriptor: | (7aS,12S,12aR,13aS)-3,3,12,14,14-pentamethyl-3,7,11,12,13,13a,14,15-octahydro-8H,10H-7a,12a-(epiminomethano)indolizino[6,7-h]pyrano[3,2-a]carbazol-16-one, FAD monooxygenase, FLAVIN-ADENINE DINUCLEOTIDE | | Authors: | Fraley, A.E, Smith, J.L, Sherman, D.H. | | Deposit date: | 2019-07-20 | | Release date: | 2020-01-22 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | Molecular Basis for Spirocycle Formation in the Paraherquamide Biosynthetic Pathway.
J.Am.Chem.Soc., 142, 2020
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6PW2
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2WBE
 | | Kinesin-5-Tubulin Complex with AMPPNP | | Descriptor: | BIPOLAR KINESIN KRP-130, GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, ... | | Authors: | Bodey, A.J, Kikkawa, M, Moores, C.A. | | Deposit date: | 2009-02-26 | | Release date: | 2009-03-24 | | Last modified: | 2024-05-08 | | Method: | ELECTRON MICROSCOPY (9.4 Å) | | Cite: | 9-Angstrom Structure of a Microtubule-Bound Mitotic Motor.
J.Mol.Biol., 388, 2009
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6PVI
 | | Crystal structure of PhqK in complex with paraherquamide L | | Descriptor: | (8aS,13S,13aR,14aS)-4,4,13,15,15-pentamethyl-12,13,14,14a,15,16-hexahydro-4H,8H,9H,11H-8a,13a-(epiminomethano)[1,4]dioxepino[2,3-a]indolizino[6,7-h]carbazol-17-one, FAD monooxygenase, FLAVIN-ADENINE DINUCLEOTIDE | | Authors: | Fraley, A.E, Smith, J.L, Sherman, D.H. | | Deposit date: | 2019-07-20 | | Release date: | 2020-01-22 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.093 Å) | | Cite: | Molecular Basis for Spirocycle Formation in the Paraherquamide Biosynthetic Pathway.
J.Am.Chem.Soc., 142, 2020
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6VOU
 | | Aminoglycoside N-2'-Acetyltransferase-Ia [AAC(2')-Ia] in complex with acetylated-plazomicin and CoA | | Descriptor: | (2S)-N-[(1R,2S,3S,4R,5S)-4-{[(2S,3R)-3-(acetylamino)-6-{[(2-hydroxyethyl)amino]methyl}-3,4-dihydro-2H-pyran-2-yl]oxy}-5-amino-2-{[3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranosyl]oxy}-3-hydroxycyclohexyl]-4-amino-2-hydroxybutanamide, (4S)-2-METHYL-2,4-PENTANEDIOL, 3,3',3''-phosphanetriyltripropanoic acid, ... | | Authors: | Bassenden, A.V, Berghuis, A.M. | | Deposit date: | 2020-01-31 | | Release date: | 2021-06-02 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Structural basis for plazomicin antibiotic action and resistance.
Commun Biol, 4, 2021
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8A2C
 | | The crystal structure of the S178A mutant of PET40, a PETase enzyme from an unclassified Amycolatopsis | | Descriptor: | 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, ... | | Authors: | Costanzi, E, Applegate, V, Port, A, Smits, S.H.J. | | Deposit date: | 2022-06-03 | | Release date: | 2023-06-14 | | Last modified: | 2024-06-26 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | The metagenome-derived esterase PET40 is highly promiscuous and hydrolyses polyethylene terephthalate (PET).
Febs J., 291, 2024
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6Q02
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1SS7
 | | Compensating bends in a 16 base-pair DNA oligomer containing a T3A3 segment | | Descriptor: | 5'-D(*CP*GP*AP*GP*GP*TP*TP*TP*AP*AP*AP*CP*CP*TP*CP*G)-3' | | Authors: | McAteer, K, Aceves-Gaona, A, Michalczyk, R, Buchko, G.W, Isern, N.G, Silks, L.A, Miller, J.H, Kennedy, M.A. | | Deposit date: | 2004-03-23 | | Release date: | 2004-12-07 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Compensating bends in a 16-base-pair DNA oligomer containing a T(3)A(3) segment: A NMR study of global DNA curvature
Biopolymers, 75, 2004
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2WA7
 | | Structure of the M202V mutant of human filamin b actin binding domain at 1.85 Angstrom resolution | | Descriptor: | CACODYLATE ION, CARBONATE ION, FILAMIN-B | | Authors: | Sawyer, G.M, Clark, A.R, Robertson, S.P, Sutherland-Smith, A.J. | | Deposit date: | 2009-02-03 | | Release date: | 2009-06-23 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Disease-Associated Substitutions in the Filamin B Actin Binding Domain Confer Enhanced Actin Binding Affinity in the Absence of Major Structural Disturbance: Insights from the Crystal Structures of Filamin B Actin Binding Domains.
J.Mol.Biol., 390, 2009
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1K9Z
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5KLE
 | | Structure of CBM_E1, a novel carbohydrate-binding module found by sugar cane soil metagenome, complexed with cellopentaose | | Descriptor: | Carbohydrate binding module E1, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose | | Authors: | Liberato, M.V, Campos, B.M, Zeri, A.C.M, Squina, F.M. | | Deposit date: | 2016-06-24 | | Release date: | 2016-09-21 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | A Novel Carbohydrate-binding Module from Sugar Cane Soil Metagenome Featuring Unique Structural and Carbohydrate Affinity Properties.
J.Biol.Chem., 291, 2016
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2WCH
 | | Structure of BMori GOBP2 (General Odorant Binding Protein 2) with bombykal | | Descriptor: | (10E,12Z)-hexadeca-10,12-dienal, GENERAL ODORANT-BINDING PROTEIN 1, MAGNESIUM ION | | Authors: | Robertson, G, Zhou, J.-J, He, X, Pickett, J.A, Field, L.M, Keep, N.H. | | Deposit date: | 2009-03-12 | | Release date: | 2009-08-11 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Characterisation of Bombyx Mori Odorant-Binding Proteins Reveals that a General Odorant-Binding Protein Discriminates between Sex Pheromone Components.
J.Mol.Biol., 389, 2009
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7B9B
 | | Crystal structure of human 5' exonuclease Appollo APO form | | Descriptor: | 5' exonuclease Apollo, NICKEL (II) ION | | Authors: | Newman, J.A, Baddock, H.T, Mukhopadhyay, S.M.M, Burgess-Brown, N.A, von Delft, F, Arrowshmith, C.H, Edwards, A, Bountra, C, Gileadi, O. | | Deposit date: | 2020-12-14 | | Release date: | 2021-01-20 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | A phosphate binding pocket is a key determinant of exo- versus endo-nucleolytic activity in the SNM1 nuclease family.
Nucleic Acids Res., 49, 2021
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2WGH
 | | Human Ribonucleotide reductase R1 subunit (RRM1) in complex with dATP and Mg. | | Descriptor: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, GLYCEROL, MAGNESIUM ION, ... | | Authors: | Welin, R.M, Moche, M, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, A, Johansson, I, Karlberg, T, Kragh-Nielsen, T, Kotzsch, A, Kotenyova, T, Nyman, T, Persson, C, Sagemark, J, Schueler, H, Schutz, P, Siponen, M.I, Svensson, L, Thorsell, A.G, Tresaugues, L, Van Den Berg, S, Weigelt, J, Wisniewska, M, Nordlund, P. | | Deposit date: | 2009-04-19 | | Release date: | 2009-05-05 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural Basis for Allosteric Regulation of Human Ribonucleotide Reductase by Nucleotide-Induced Oligomerization.
Nat.Struct.Mol.Biol., 18, 2011
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2ISE
 | | Botulinum Neurotoxin A Light Chain WT Crystal Form A | | Descriptor: | Neurotoxin BoNT/A, ZINC ION | | Authors: | Brunger, A.T, Stegmann, C.M. | | Deposit date: | 2006-10-17 | | Release date: | 2006-11-07 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Inhibition of metalloprotease botulinum serotype A from a pseudo-peptide binding mode to a small molecule that is active in primary neurons.
J.Biol.Chem., 282, 2007
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5KRM
 | | Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with the A-CD ring estrogen, (1S,7aS)-5-(2,5-difluoro-4-hydroxyphenyl)-7a-methyl-2,3,3a,4,7,7a-hexahydro-1H-inden-1-ol | | Descriptor: | (1~{S},3~{a}~{R},7~{a}~{S})-5-[2,5-bis(fluoranyl)-4-oxidanyl-phenyl]-7~{a}-methyl-1,2,3,3~{a},4,7-hexahydroinden-1-ol, Estrogen receptor, NCOA2 | | Authors: | Nwachukwu, J.C, Srinivasan, S, Bruno, N.E, Nowak, J, Kojetin, D.J, Elemento, O, Katzenellenbogen, J.A, Nettles, K.W. | | Deposit date: | 2016-07-07 | | Release date: | 2017-01-18 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.24 Å) | | Cite: | Systems Structural Biology Analysis of Ligand Effects on ER alpha Predicts Cellular Response to Environmental Estrogens and Anti-hormone Therapies.
Cell Chem Biol, 24, 2017
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8A5B
 | | Crystal structure of human cathepsin L in complex with covalently bound MG-101 | | Descriptor: | Calpain Inhibitor I, Cathepsin L, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Falke, S, Lieske, J, Guenther, S, Reinke, P.Y.A, Ewert, W, Loboda, J, Karnicar, K, Usenik, A, Lindic, N, Sekirnik, A, Chapman, H.N, Hinrichs, W, Turk, D, Meents, A. | | Deposit date: | 2022-06-14 | | Release date: | 2023-07-05 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural Elucidation and Antiviral Activity of Covalent Cathepsin L Inhibitors.
J.Med.Chem., 67, 2024
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6WEJ
 | | Structure of cGMP-unbound WT TAX-4 reconstituted in lipid nanodiscs | | Descriptor: | 1,2-DILAUROYL-SN-GLYCERO-3-PHOSPHATE, 1-PALMITOYL-2-LINOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, Cyclic nucleotide-gated cation channel, ... | | Authors: | Zheng, X, Fu, Z, Su, D, Zhang, Y, Li, M, Pan, Y, Li, H, Li, S, Grassucci, R.A, Ren, Z, Hu, Z, Li, X, Zhou, M, Li, G, Frank, J, Yang, J. | | Deposit date: | 2020-04-02 | | Release date: | 2020-06-03 | | Last modified: | 2020-07-22 | | Method: | ELECTRON MICROSCOPY (2.6 Å) | | Cite: | Mechanism of ligand activation of a eukaryotic cyclic nucleotide-gated channel.
Nat.Struct.Mol.Biol., 27, 2020
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6WGD
 | | Crystal structure of a 6-phospho-beta-glucosidase from Bacillus licheniformis | | Descriptor: | 1,2-ETHANEDIOL, 6-phospho-beta-glucosidase | | Authors: | Liberato, M.V, Popov, A, Polikarpov, I. | | Deposit date: | 2020-04-05 | | Release date: | 2020-11-25 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | X-ray Structure, Bioinformatics Analysis, and Substrate Specificity of a 6-Phospho-beta-glucosidase Glycoside Hydrolase 1 Enzyme from Bacillus licheniformis .
J.Chem.Inf.Model., 60, 2020
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6Q04
 | | MERS-CoV S structure in complex with 5-N-acetyl neuraminic acid | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, FOLIC ACID, ... | | Authors: | Park, Y.J, Walls, A.C, Wang, Z, Sauer, M, Li, W, Tortorici, M.A, Bosch, B.J, DiMaio, F.D, Veesler, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID) | | Deposit date: | 2019-08-01 | | Release date: | 2019-12-11 | | Last modified: | 2020-07-29 | | Method: | ELECTRON MICROSCOPY (2.5 Å) | | Cite: | Structures of MERS-CoV spike glycoprotein in complex with sialoside attachment receptors.
Nat.Struct.Mol.Biol., 26, 2019
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6QF1
 | | X-Ray structure of Proteinase K crystallized on a silicon chip | | Descriptor: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, CALCIUM ION, Proteinase K | | Authors: | Lieske, J, Cerv, M, Kreida, S, Barthelmess, M, Fischer, P, Pakendorf, T, Yefanov, O, Mariani, V, Seine, T, Ross, B.H, Crosas, E, Lorbeer, O, Burkhardt, A, Lane, T.J, Guenther, S, Bergtholdt, J, Schoen, S, Tornroth-Horsefield, S, Chapman, H.N, Meents, A. | | Deposit date: | 2019-01-09 | | Release date: | 2019-07-10 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.737 Å) | | Cite: | On-chip crystallization for serial crystallography experiments and on-chip ligand-binding studies.
Iucrj, 6, 2019
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830C
 | | COLLAGENASE-3 (MMP-13) COMPLEXED TO A SULPHONE-BASED HYDROXAMIC ACID | | Descriptor: | 4-[4-(4-CHLORO-PHENOXY)-BENZENESULFONYLMETHYL]-TETRAHYDRO-PYRAN-4-CARBOXYLIC ACID HYDROXYAMIDE, CALCIUM ION, MMP-13, ... | | Authors: | Lovejoy, B, Welch, A, Carr, S, Luong, C, Broka, C, Hendricks, R.T, Campbell, J, Walker, K, Martin, R, Van Wart, H, Browner, M.F. | | Deposit date: | 1998-08-06 | | Release date: | 1999-08-06 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Crystal structures of MMP-1 and -13 reveal the structural basis for selectivity of collagenase inhibitors.
Nat.Struct.Biol., 6, 1999
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