1U28
 
 | | R. rubrum transhydrogenase asymmetric complex (dI.NAD+)2(dIII.NADP+)1 | | Descriptor: | GLYCEROL, NAD(P) transhydrogenase subunit alpha part 1, NAD(P) transhydrogenase subunit beta, ... | | Authors: | Mather, O.C, Singh, A, van Boxel, G.I, White, S.A, Jackson, J.B. | | Deposit date: | 2004-07-16 | | Release date: | 2005-01-18 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Active-site conformational changes associated with hydride transfer in proton-translocating transhydrogenase.
Biochemistry, 43, 2004
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5T33
 | | Crystal structure of strain-specific glycan-dependent CD4 binding site-directed neutralizing antibody CAP257-RH1, in complex with HIV-1 strain RHPA gp120 core with an oligomannose N276 glycan. | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CAP257-RH1 heavy chain, ... | | Authors: | Wibmer, C.K, Gorman, J, Kwong, P.D. | | Deposit date: | 2016-08-24 | | Release date: | 2016-09-07 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (3.2092 Å) | | Cite: | Structure of an N276-Dependent HIV-1 Neutralizing Antibody Targeting a Rare V5 Glycan Hole Adjacent to the CD4 Binding Site.
J.Virol., 90, 2016
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2AXQ
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5EJZ
 | | Bacterial Cellulose Synthase Product-Bound State | | Descriptor: | 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2-deoxy-2-fluoro-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose, 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), ... | | Authors: | Morgan, J.L.W, Zimmer, J. | | Deposit date: | 2015-11-02 | | Release date: | 2016-03-09 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2.94 Å) | | Cite: | Observing cellulose biosynthesis and membrane translocation in crystallo.
Nature, 531, 2016
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2LKT
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1T26
 | | Plasmodium falciparum lactate dehydrogenase complexed with NADH and 4-hydroxy-1,2,5-thiadiazole-3-carboxylic acid | | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 4-HYDROXY-1,2,5-THIADIAZOLE-3-CARBOXYLIC ACID, L-lactate dehydrogenase | | Authors: | Cameron, A, Read, J, Tranter, R, Winter, V.J, Sessions, R.B, Brady, R.L, Vivas, L, Easton, A, Kendrick, H, Croft, S.L, Barros, D, Lavandera, J.L, Martin, J.J, Risco, F, Garcia-Ochoa, S, Gamo, F.J, Sanz, L, Leon, L, Ruiz, J.R, Gabarro, R, Mallo, A, De Las Heras, F.G. | | Deposit date: | 2004-04-20 | | Release date: | 2004-05-11 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Identification and Activity of a Series of Azole-based Compounds with Lactate Dehydrogenase-directed Anti-malarial Activity.
J.Biol.Chem., 279, 2004
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4FZJ
 | | Pantothenate synthetase in complex with 1,3-DIMETHYL-1H-THIENO[2,3-C]PYRAZOLE-5-CARBOXYLIC ACID | | Descriptor: | 1,2-ETHANEDIOL, 1,3-dimethyl-1H-thieno[2,3-c]pyrazole-5-carboxylic acid, ETHANOL, ... | | Authors: | Silvestre, H.L, Blundell, T.L, Abell, C, Ciulli, A. | | Deposit date: | 2012-07-06 | | Release date: | 2013-06-26 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.63 Å) | | Cite: | Integrated biophysical approach to fragment screening and validation for fragment-based lead discovery.
Proc.Natl.Acad.Sci.USA, 110, 2013
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5ODR
 | | Heterodisulfide reductase / [NiFe]-hydrogenase complex from Methanothermococcus thermolithotrophicus soaked with heterodisulfide for 2 minutes. | | Descriptor: | 1-THIOETHANESULFONIC ACID, 3,6,9,12,15,18,21,24,27,30,33,36,39-TRIDECAOXAHENTETRACONTANE-1,41-DIOL, ACETATE ION, ... | | Authors: | Wagner, T, Koch, J, Ermler, U, Shima, S. | | Deposit date: | 2017-07-06 | | Release date: | 2017-08-30 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Methanogenic heterodisulfide reductase (HdrABC-MvhAGD) uses two noncubane [4Fe-4S] clusters for reduction.
Science, 357, 2017
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2HDJ
 | | Crystal structure of human type 3 3alpha-hydroxysteroid dehydrogenase in complex with NADP(H) | | Descriptor: | 1,2-ETHANEDIOL, Aldo-keto reductase family 1 member C2, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | Authors: | Faucher, F, Pereira de Jesus-Tran, K, Cantin, L, Luu-the, V, Labrie, F, Breton, R. | | Deposit date: | 2006-06-20 | | Release date: | 2006-12-05 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal Structures of Mouse 17alpha-Hydroxysteroid Dehydrogenase (Apoenzyme and Enzyme-NADP(H) Binary Complex): Identification of Molecular Determinants Responsible for the Unique 17alpha-reductive Activity of this Enzyme.
J.Mol.Biol., 364, 2006
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4H7U
 | | Crystal structure of pyranose dehydrogenase from Agaricus meleagris, wildtype | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, PHOSPHATE ION, ... | | Authors: | Tan, T.C, Spadiut, O, Divne, C. | | Deposit date: | 2012-09-20 | | Release date: | 2013-08-07 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | The 1.6 A crystal structure of pyranose dehydrogenase from Agaricus meleagris rationalizes substrate specificity and reveals a flavin intermediate.
Plos One, 8, 2013
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1Q90
 | | Structure of the cytochrome b6f (plastohydroquinone : plastocyanin oxidoreductase) from Chlamydomonas reinhardtii | | Descriptor: | 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, 8-HYDROXY-5,7-DIMETHOXY-3-METHYL-2-TRIDECYL-4H-CHROMEN-4-ONE, ... | | Authors: | Stroebel, D, Choquet, Y, Popot, J.-L, Picot, D. | | Deposit date: | 2003-08-22 | | Release date: | 2003-12-09 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | An Atypical Haem in the Cytochrome B6F Complex
Nature, 426, 2003
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1YHP
 | | Solution Structure of Ca2+-free DdCAD-1 | | Descriptor: | Calcium-dependent cell adhesion molecule-1 | | Authors: | Lin, Z, Huang, H.B, Siu, C.H, Yang, D.W. | | Deposit date: | 2005-01-10 | | Release date: | 2006-01-31 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | Solution structures of the adhesion molecule DdCAD-1 reveal new insights into Ca(2+)-dependent cell-cell adhesion
Nat.Struct.Mol.Biol., 13, 2006
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3QVX
 | | L-myo-inositol 1-phosphate synthase from Archaeoglobus fulgidus mutant K367A | | Descriptor: | GLYCEROL, Myo-inositol-1-phosphate synthase (Ino1), NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | | Authors: | Neelon, K, Roberts, M.F, Stec, B. | | Deposit date: | 2011-02-26 | | Release date: | 2012-01-11 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal structure of a trapped catalytic intermediate suggests that forced atomic proximity drives the catalysis of mIPS.
Biophys.J., 101, 2011
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4O1Z
 | | Crystal Structure of Ovine Cyclooxygenase-1 Complex with Meloxicam | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-hydroxy-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-2H-1,2-benzothiazine-3-carboxamide 1,1-dioxide, ... | | Authors: | Xu, S, Hermanson, D.J, Banerjee, S, Ghebreselasie, K, Clayton, G.M, Garavito, R.M, Marnett, L.J. | | Deposit date: | 2013-12-16 | | Release date: | 2014-01-22 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Oxicams Bind in a Novel Mode to the Cyclooxygenase Active Site via a Two-water-mediated H-bonding Network.
J.Biol.Chem., 289, 2014
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4JQK
 | | Crystal structure of Cytochrome C Peroxidase W191G-Gateless in complex with 2-(2-aminopyridin-1-ium-1-yl)ethanol | | Descriptor: | 2-(2-aminopyridin-1-ium-1-yl)ethanol, Cytochrome c peroxidase, PHOSPHATE ION, ... | | Authors: | Boyce, S.E, Fischer, M, Fish, I. | | Deposit date: | 2013-03-20 | | Release date: | 2013-07-31 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.36 Å) | | Cite: | Blind prediction of charged ligand binding affinities in a model binding site.
J.Mol.Biol., 425, 2013
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4CTN
 | | Glucopyranosylidene-spiro-iminothiazolidinone, a New Bicyclic Ring System: Synthesis, Derivatization, and Evaluation as Glycogen Phosphorylase Inhibitors by Enzyme Kinetic and Crystallographic Methods | | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, DIMETHYL SULFOXIDE, GLYCOGEN PHOSPHORYLASE, ... | | Authors: | Alexacou, K.M, Papakonstantinou, M, Leonidas, D.D, Zographos, S.E, Chrysina, E.D. | | Deposit date: | 2014-03-15 | | Release date: | 2014-08-06 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Glucopyranosylidene-Spiro-Iminothiazolidinone, a New Bicyclic Ring System: Synthesis, Derivatization, and Evaluation for Inhibition of Glycogen Phosphorylase by Enzyme Kinetic and Crystallographic Methods.
Bioorg.Med.Chem., 22, 2014
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4BNZ
 | | Crystal structure of 3-oxoacyl-(acyl-carrier-protein) reductase (FabG) from Pseudomonas aeruginosa in complex with 1-methyl-N-phenylindole- 3-carboxamide at 2.5A resolution | | Descriptor: | 1-methyl-N-phenyl-indole-3-carboxamide, 3-OXOACYL-[ACYL-CARRIER-PROTEIN] REDUCTASE FABG | | Authors: | Cukier, C.D, Schnell, R, Lindqvist, Y, Schneider, G. | | Deposit date: | 2013-05-17 | | Release date: | 2013-09-18 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Discovery of an Allosteric Inhibitor Binding Site in 3-Oxo-Acyl-Acp Reductase from Pseudomonas Aeruginosa
Acs Chem.Biol., 8, 2013
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1IAX
 | | CRYSTAL STRUCTURE OF ACC SYNTHASE COMPLEXED WITH PLP | | Descriptor: | 1-AMINOCYCLOPROPANE-1-CARBOXYLATE SYNTHASE 2, PYRIDOXAL-5'-PHOSPHATE, SULFATE ION | | Authors: | Huai, Q, Xia, Y, Chen, Y, Callahan, B, Li, N, Ke, H. | | Deposit date: | 2001-03-24 | | Release date: | 2001-04-04 | | Last modified: | 2025-03-26 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Crystal structures of 1-aminocyclopropane-1-carboxylate (ACC) synthase in complex with aminoethoxyvinylglycine and pyridoxal-5'-phosphate provide new insight into catalytic mechanisms
J.Biol.Chem., 276, 2001
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4BO2
 | | Crystal structure of 3-oxoacyl-(acyl-carrier-protein) reductase (FabG) from Pseudomonas aeruginosa in complex with 1-(1-ethylbenzimidazol-2- yl)-3-(2-methoxyphenyl)urea at 1.9A resolution | | Descriptor: | 1-(1-ethylbenzimidazol-2-yl)-3-(2-methoxyphenyl)urea, 3-OXOACYL-[ACYL-CARRIER-PROTEIN] REDUCTASE FABG | | Authors: | Cukier, C.D, Schnell, R, Lindqvist, Y, Schneider, G. | | Deposit date: | 2013-05-18 | | Release date: | 2013-09-18 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Discovery of an Allosteric Inhibitor Binding Site in 3-Oxo-Acyl-Acp Reductase from Pseudomonas Aeruginosa
Acs Chem.Biol., 8, 2013
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2Z4X
 | | S. cerevisiae geranylgeranyl pyrophosphate synthase in complex with magnesium and BPH-252 (P21) | | Descriptor: | (1-HYDROXYNONANE-1,1-DIYL)BIS(PHOSPHONIC ACID), Geranylgeranyl pyrophosphate synthetase, MAGNESIUM ION | | Authors: | Guo, R.T, Chen, C.K.-M, Hudock, M, Cao, R, Oldfield, E, Wang, A.H.-J. | | Deposit date: | 2007-06-26 | | Release date: | 2008-07-01 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Inhibition of geranylgeranyl diphosphate synthase by bisphosphonates: a crystallographic and computational investigation
J.Med.Chem., 51, 2008
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1P1F
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1P1I
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2DTE
 | | Structure of Thermoplasma acidophilum aldohexose dehydrogenase (AldT) in complex with NADH | | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, Glucose 1-dehydrogenase related protein | | Authors: | Yasutake, Y, Nishiya, Y, Tamura, N, Tamura, T. | | Deposit date: | 2006-07-12 | | Release date: | 2007-03-27 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Structural Insights into Unique Substrate Selectivity of Thermoplasma acidophilumd-Aldohexose Dehydrogenase
J.Mol.Biol., 367, 2007
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1J0C
 | | ACC deaminase mutated to catalytic residue | | Descriptor: | 1-aminocyclopropane-1-carboxylate deaminase, PYRIDOXAL-5'-PHOSPHATE | | Authors: | Ose, T, Fujino, A, Yao, M, Honma, M, Tanaka, I. | | Deposit date: | 2002-11-12 | | Release date: | 2003-05-12 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Reaction intermediate structures of 1-aminocyclopropane-1-carboxylate deaminase: insight into PLP-dependent cyclopropane ring-opening reaction
J.BIOL.CHEM., 278, 2003
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3QW2
 | | L-myo-inositol 1-phosphate synthase from Archaeoglobus mutant N255A | | Descriptor: | GLYCEROL, Myo-inositol-1-phosphate synthase (Ino1), NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | | Authors: | Neelon, K, Roberts, M.F, Stec, B. | | Deposit date: | 2011-02-26 | | Release date: | 2012-01-11 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.59 Å) | | Cite: | Crystal structure of a trapped catalytic intermediate suggests that forced atomic proximity drives the catalysis of mIPS.
Biophys.J., 101, 2011
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