3VSS
 
 | | Microbacterium saccharophilum K-1 beta-fructofuranosidase catalytic domain complexed with fructose | | Descriptor: | Beta-fructofuranosidase, beta-D-fructofuranose | | Authors: | Tonozuka, T, Tamaki, A, Yokoi, G, Miyazaki, T, Ichikawa, M, Nishikawa, A, Ohta, Y, Hidaka, Y, Katayama, K, Hatada, Y, Ito, T, Fujita, K. | | Deposit date: | 2012-05-08 | | Release date: | 2012-08-22 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | Crystal structure of a lactosucrose-producing enzyme, Arthrobacter sp. K-1 beta-fructofuranosidase
Enzyme.Microb.Technol., 51, 2012
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1EPF
 | | CRYSTAL STRUCTURE OF THE TWO N-TERMINAL IMMUNOGLOBULIN DOMAINS OF THE NEURAL CELL ADHESION MOLECULE (NCAM) | | Descriptor: | CALCIUM ION, PROTEIN (NEURAL CELL ADHESION MOLECULE) | | Authors: | Kasper, C, Rasmussen, H, Kastrup, J.S, Ikemizu, S, Jones, E.Y, Berezin, V, Bock, E, Larsen, I.K. | | Deposit date: | 2000-03-29 | | Release date: | 2000-10-09 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Structural basis of cell-cell adhesion by NCAM.
Nat.Struct.Biol., 7, 2000
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1EQF
 | | CRYSTAL STRUCTURE OF THE DOUBLE BROMODOMAIN MODULE FROM HUMAN TAFII250 | | Descriptor: | RNA POLYMERASE II TRANSCRIPTION INITIATION FACTOR, SULFATE ION | | Authors: | Jacobson, R.H, Ladurner, A.G, King, D.S, Tjian, R. | | Deposit date: | 2000-04-04 | | Release date: | 2000-06-07 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structure and function of a human TAFII250 double bromodomain module.
Science, 288, 2000
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6L2D
 | | Crystal structure of a cupin protein (tm1459) in copper (Cu) substituted form | | Descriptor: | COPPER (II) ION, Cupin_2 domain-containing protein | | Authors: | Fujieda, N, Ichihashi, H, Nishikawa, Y, Kurisu, G, Itoh, S. | | Deposit date: | 2019-10-03 | | Release date: | 2020-04-01 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.198 Å) | | Cite: | Cupin Variants as a Macromolecular Ligand Library for Stereoselective Michael Addition of Nitroalkanes.
Angew.Chem.Int.Ed.Engl., 59, 2020
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4UBL
 | | KINETIC CRYSTALLOGRAPHY OF ALPHA_E7-CARBOXYLESTERSE FROM LUCILLA CUPRINA - ABSORBED X-RAY DOSE 9.26 MGy | | Descriptor: | DIETHYL HYDROGEN PHOSPHATE, E3 | | Authors: | Jackson, C.J, Carr, P.D, Weik, M, Huber, T, Meirelles, T, Correy, G. | | Deposit date: | 2014-08-13 | | Release date: | 2015-08-19 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.36 Å) | | Cite: | Mapping the Accessible Conformational Landscape of an Insect Carboxylesterase Using Conformational Ensemble Analysis and Kinetic Crystallography
Structure, 24, 2016
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3VTA
 | | Crystal Structure of cucumisin, a subtilisin-like endoprotease from Cucumis melo L | | Descriptor: | Cucumisin, DIISOPROPYL PHOSPHONATE, alpha-D-mannopyranose-(1-6)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-3)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Murayama, K, Kato-Murayama, M, Hosaka, T, Sotokawauchi, A, Shirouzu, M, Arima, K, Yokoyama, S. | | Deposit date: | 2012-05-23 | | Release date: | 2012-08-08 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Crystal structure of cucumisin, a subtilisin-like endoprotease from Cucumis melo L
J.Mol.Biol., 423, 2012
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6L3X
 | | Discovery of novel peptidomimetic boronate ClpP inhibitors with noncanonical enzyme mechanism as potent virulence blockers in vitro and in vivo | | Descriptor: | ATP-dependent Clp protease proteolytic subunit, [(1~{R})-1-[[(2~{S})-2-[[2,5-bis(chloranyl)phenyl]carbonylamino]-3-(1~{H}-indol-3-yl)propanoyl]amino]-3-methyl-butyl]boronic acid | | Authors: | Luo, Y.F, Bao, R, Ju, Y, He, L.H. | | Deposit date: | 2019-10-15 | | Release date: | 2020-08-26 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.3054 Å) | | Cite: | Discovery of Novel Peptidomimetic Boronate ClpP Inhibitors with Noncanonical Enzyme Mechanism as Potent Virulence Blockersin Vitroandin Vivo.
J.Med.Chem., 63, 2020
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6LDS
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4UCT
 | | Fragment bound to H.influenza NAD dependent DNA ligase | | Descriptor: | 1-(2,4-dimethylbenzyl)-6-oxo-1,6-dihydropyridine-3-carboxamide, 2-amino-6-methyl-5-(propan-2-yloxy)-3H-[1,2,4]triazolo[1,5-a]pyrimidin-8-ium, DNA LIGASE | | Authors: | Hale, M, Brassington, C, Carcanague, D, Embrey, K, Eyermann, C.J, Giacobbe, R.A, Gingipali, L, Gowravaram, M, Harang, J, Howard, T, Ioannidis, G, Jahic, H, Kutschke, A, Laganas, V.A, Loch, J, Miller, M.D, Murphy-Benenato, K.E, Oguto, H, Otterbein, L, Patel, S.J, Shapiro, A.B, Boriack-Sjodin, P.A. | | Deposit date: | 2014-12-04 | | Release date: | 2015-10-14 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | From Fragments to Leads: Novel Bacterial Nad+-Dependent DNA Ligase Inhibitors
Tetrahedron Lett., 56, 2015
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1E9Y
 | | Crystal structure of Helicobacter pylori urease in complex with acetohydroxamic acid | | Descriptor: | ACETOHYDROXAMIC ACID, NICKEL (II) ION, UREASE SUBUNIT ALPHA, ... | | Authors: | Ha, N.-C, Oh, S.-T, Oh, B.-H. | | Deposit date: | 2000-11-01 | | Release date: | 2001-11-01 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Supramolecular Assembly and Acid Resistance of Helicobacter Pylori Urease
Nat.Struct.Biol., 8, 2001
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1E6I
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6LGM
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1E8Q
 | | Characterisation of the cellulose docking domain from Piromyces equi | | Descriptor: | Endoglucanase 45A | | Authors: | Raghothama, S, Eberhardt, R.Y, White, P, Hazlewood, G.P, Gilbert, H.J, Simpson, P.J, Williamson, M.P. | | Deposit date: | 2000-09-28 | | Release date: | 2001-09-07 | | Last modified: | 2018-06-20 | | Method: | SOLUTION NMR | | Cite: | Characterization of a cellulosome dockerin domain from the anaerobic fungus Piromyces equi.
Nat. Struct. Biol., 8, 2001
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1EBL
 | | THE 1.8 A CRYSTAL STRUCTURE AND ACTIVE SITE ARCHITECTURE OF BETA-KETOACYL-[ACYL CARRIER PROTEIN] SYNTHASE III (FABH) FROM ESCHERICHIA COLI | | Descriptor: | BETA-KETOACYL-ACP SYNTHASE III, COENZYME A | | Authors: | Davies, C, Heath, R.J, White, S.W, Rock, C.O. | | Deposit date: | 2000-01-24 | | Release date: | 2000-02-11 | | Last modified: | 2018-01-31 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | The 1.8 A crystal structure and active-site architecture of beta-ketoacyl-acyl carrier protein synthase III (FabH) from escherichia coli.
Structure Fold.Des., 8, 2000
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6LIG
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6L8J
 | | Crystal structure of CYP97A3 mutant S290D/W300L/S304V in complex with retinal | | Descriptor: | PROTOPORPHYRIN IX CONTAINING FE, Protein LUTEIN DEFICIENT 5, chloroplastic, ... | | Authors: | Niu, G, Guo, Q, Liu, L. | | Deposit date: | 2019-11-06 | | Release date: | 2020-06-10 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.399 Å) | | Cite: | Structural basis for plant lutein biosynthesis from alpha-carotene.
Proc.Natl.Acad.Sci.USA, 117, 2020
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6LJ5
 | | Crystal structure of NDM-1 in complex with D-captopril derivative wss04145 | | Descriptor: | 1,2-ETHANEDIOL, 1-[(2S)-2-methyl-3-sulfanyl-propanoyl]piperidine-4-carboxylic acid, Metallo-beta-lactamase type 2, ... | | Authors: | Zhang, H, Ma, G. | | Deposit date: | 2019-12-13 | | Release date: | 2020-12-16 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.26 Å) | | Cite: | Structure-guided optimization of D-captopril for discovery of potent NDM-1 inhibitors.
Bioorg.Med.Chem., 29, 2020
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6LJG
 | | Crassostrea gigas ferritin mutant-D119G | | Descriptor: | FE (III) ION, Ferritin | | Authors: | Li, H, Zang, J, Tan, X, Wang, Z, Du, M. | | Deposit date: | 2019-12-15 | | Release date: | 2020-12-16 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.799 Å) | | Cite: | Crassostrea gigas ferritin mutant-D119G
To Be Published
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6LJP
 | | Crystal structure of human galectin-16 | | Descriptor: | Galectin-16 | | Authors: | Su, J. | | Deposit date: | 2019-12-17 | | Release date: | 2020-10-14 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Human galectin-16 has a pseudo ligand binding site and plays a role in regulating c-Rel-mediated lymphocyte activity.
Biochim Biophys Acta Gen Subj, 1865, 2020
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6LJU
 | | Crystal structure of human FABP4 in complex with a novel inhibitor | | Descriptor: | 1,2-ETHANEDIOL, 2-[[3-chloranyl-4-(methylamino)-2-phenyl-phenyl]amino]benzoic acid, Fatty acid-binding protein, ... | | Authors: | Su, H.X, Zhang, X.L, Li, M.J, Xu, Y.C. | | Deposit date: | 2019-12-17 | | Release date: | 2020-04-15 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Exploration of Fragment Binding Poses Leading to Efficient Discovery of Highly Potent and Orally Effective Inhibitors of FABP4 for Anti-inflammation.
J.Med.Chem., 63, 2020
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4UB9
 | | Structural and catalytic characterization of molinate hydrolase | | Descriptor: | Molinate hydrolase, ZINC ION | | Authors: | Leite, J.P, Duarte, M, Paiva, A, Ferreira-da-Silva, F, Matias, P.M, Nunes, O, Gales, L. | | Deposit date: | 2014-08-12 | | Release date: | 2015-06-24 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.27 Å) | | Cite: | Structure-guided engineering of molinate hydrolase for the degradation of thiocarbamate pesticides.
Plos One, 10, 2015
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6LD9
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4UE0
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4UFW
 | | Plasmodium vivax N-myristoyltransferase in complex with a pyridyl inhibitor (compound 22) | | Descriptor: | 2-oxopentadecyl-CoA, 4-chloranyl-N-[2-(3-methoxyphenyl)ethanimidoyl]-2-piperidin-4-yloxy-benzamide, CHLORIDE ION, ... | | Authors: | Yu, Z, Brannigan, J.A, Rangachari, K, Heal, W.P, Wilkinson, A.J, Holder, A.A, Tate, E.W, Leatherbarrow, R.J. | | Deposit date: | 2015-03-19 | | Release date: | 2016-02-03 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Discovery of Pyridyl-Based Inhibitors of Plasmodium Falciparum N-Myristoyltransferase
Medchemcomm, 6, 2015
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6LF6
 | | Crystal structure of ZmCGTa in complex with UDP | | Descriptor: | UDP-glycosyltransferase 708A6, URIDINE-5'-DIPHOSPHATE | | Authors: | Gao, H.M, Yun, C.H. | | Deposit date: | 2019-11-29 | | Release date: | 2020-11-18 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.044 Å) | | Cite: | Dissection of the general two-step di- C -glycosylation pathway for the biosynthesis of (iso)schaftosides in higher plants.
Proc.Natl.Acad.Sci.USA, 117, 2020
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