3J4G
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6ZO1
| 1.61 A resolution 3,5-dimethylcatechol (3,5-dimethylbenzene-1,2-diol) inhibited Sporosarcina pasteurii urease | Descriptor: | 1,2-ETHANEDIOL, HYDROXIDE ION, NICKEL (II) ION, ... | Authors: | Mazzei, L, Cianci, M, Musiani, F, Ciurli, S. | Deposit date: | 2020-07-07 | Release date: | 2020-12-23 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.61 Å) | Cite: | Inhibition of Urease, a Ni-Enzyme: The Reactivity of a Key Thiol With Mono- and Di-Substituted Catechols Elucidated by Kinetic, Structural, and Theoretical Studies. Angew.Chem.Int.Ed.Engl., 60, 2021
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5RG8
| Crystal Structure of Kemp Eliminase HG3.17 in unbound state, 277K | Descriptor: | ACETATE ION, Kemp Eliminase HG3 | Authors: | Broom, A, Rakotoharisoa, R.V, Thompson, M.C, Fraser, J.S, Chica, R.A. | Deposit date: | 2020-03-19 | Release date: | 2020-07-22 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | Ensemble-based enzyme design can recapitulate the effects of laboratory directed evolution in silico. Nat Commun, 11, 2020
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4COP
| HIV-1 capsid C-terminal domain mutant (Y169S) | Descriptor: | CAPSID PROTEIN P24 | Authors: | Bharat, T.A.M, Castillo-Menendez, L.R, Hagen, W.J.H, Lux, V, Igonet, S, Schorb, M, Schur, F.K.M, Krausslich, H.-G, Briggs, J.A.G. | Deposit date: | 2014-01-29 | Release date: | 2014-06-04 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Cryo-Electron Microscopy of Tubular Arrays of HIV-1 Gag Resolves Structures Essential for Immature Virus Assembly. Proc.Natl.Acad.Sci.USA, 111, 2014
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3JV1
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3JVA
| Crystal structure of Dipeptide Epimerase from Enterococcus faecalis V583 | Descriptor: | Dipeptide Epimerase, GLYCEROL, MAGNESIUM ION, ... | Authors: | Fedorov, A.A, Fedorov, E.V, Sakai, A, Imker, H, Gerlt, J.A, Almo, S.C. | Deposit date: | 2009-09-16 | Release date: | 2010-08-11 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Homology models guide discovery of diverse enzyme specificities among dipeptide epimerases in the enolase superfamily. Proc.Natl.Acad.Sci.USA, 109, 2012
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3K2R
| Crystal Structure of Spin Labeled T4 Lysozyme Mutant K65V1/R76V1 | Descriptor: | CHLORIDE ION, HEXANE-1,6-DIOL, Lysozyme, ... | Authors: | Toledo Warshaviak, D, Cascio, D, Khramtsov, V.V, Hubbell, W.L. | Deposit date: | 2009-09-30 | Release date: | 2010-10-13 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Crystal Structure of Spin Labeled T4 Lysozyme Mutant K65V1/R76V1 To be Published
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6ZHA
| Cryo-EM structure of DNA-PK monomer | Descriptor: | DNA, DNA-dependent protein kinase catalytic subunit,DNA-dependent protein kinase catalytic subunit,DNA-dependent protein kinase catalytic subunit,DNA-PKcs, X-ray repair cross-complementing protein 5, ... | Authors: | Chaplin, A.K, Hardwick, S.W, Chirgadze, D.Y, Blundell, T.L. | Deposit date: | 2020-06-21 | Release date: | 2020-10-21 | Last modified: | 2024-05-01 | Method: | ELECTRON MICROSCOPY (3.91 Å) | Cite: | Dimers of DNA-PK create a stage for DNA double-strand break repair. Nat.Struct.Mol.Biol., 28, 2021
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2IMO
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2INC
| Native Toluene/o-xylene Monooxygenase Hydroxylase X-ray Crystal Structure | Descriptor: | FE (III) ION, HEXAETHYLENE GLYCOL, Toluene, ... | Authors: | McCormick, M.S, Sazinsky, M.H, Condon, K.L, Lippard, S.J. | Deposit date: | 2006-10-06 | Release date: | 2006-11-28 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | X-ray crystal structures of manganese(II)-reconstituted and native toluene/o-xylene monooxygenase hydroxylase reveal rotamer shifts in conserved residues and an enhanced view of the protein interior. J.Am.Chem.Soc., 128, 2006
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2IMP
| Crystal structure of lactaldehyde dehydrogenase from E. coli: the ternary complex with lactate (occupancy 0.5) and NADH. Crystals soaked with (L)-Lactate. | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, LACTIC ACID, Lactaldehyde dehydrogenase, ... | Authors: | Di Costanzo, L, Gomez, G.A, Christianson, D.W. | Deposit date: | 2006-10-04 | Release date: | 2007-02-13 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal Structure of Lactaldehyde Dehydrogenase from Escherichia coli and Inferences Regarding Substrate and Cofactor Specificity. J.Mol.Biol., 366, 2007
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6ZJV
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6ZKB
| Membrane domain of closed complex I during turnover | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE, ADENOSINE MONOPHOSPHATE, ... | Authors: | Kampjut, D, Sazanov, L.A. | Deposit date: | 2020-06-30 | Release date: | 2020-10-07 | Last modified: | 2020-11-11 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | The coupling mechanism of mammalian respiratory complex I. Science, 370, 2020
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6ZKO
| Native complex I, closed | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE, ADENOSINE MONOPHOSPHATE, ... | Authors: | Kampjut, D, Sazanov, L.A. | Deposit date: | 2020-06-30 | Release date: | 2020-10-07 | Last modified: | 2020-11-11 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | The coupling mechanism of mammalian respiratory complex I. Science, 370, 2020
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3K3W
| Thermostable Penicillin G acylase from Alcaligenes faecalis in orthorhombic form | Descriptor: | CALCIUM ION, Penicillin G acylase | Authors: | Varshney, N.K, Kumar, R.S, Ignatova, Z, Dodson, E, Suresh, C.G. | Deposit date: | 2009-10-05 | Release date: | 2009-11-10 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (3.31 Å) | Cite: | Crystallization and X-ray structure analysis of a thermostable penicillin G acylase from Alcaligenes faecalis. Acta Crystallogr.,Sect.F, 68, 2012
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3K4C
| Pyranose 2-oxidase H167A/T169G mutant | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, FLAVIN-ADENINE DINUCLEOTIDE, PENTAETHYLENE GLYCOL, ... | Authors: | Divne, C, Tan, T.C. | Deposit date: | 2009-10-05 | Release date: | 2010-02-02 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | A conserved active-site threonine is important for both sugar and flavin oxidations of pyranose 2-oxidase. J.Biol.Chem., 285, 2010
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6ZKK
| Complex I inhibited by rotenone, closed | Descriptor: | (2R,6aS,12aS)-8,9-dimethoxy-2-(prop-1-en-2-yl)-1,2,12,12a-tetrahydrofuro[2',3':7,8][1]benzopyrano[2,3-c][1]benzopyran-6(6aH)-one, 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE, ... | Authors: | Kampjut, D, Sazanov, L.A. | Deposit date: | 2020-06-30 | Release date: | 2020-10-07 | Last modified: | 2020-11-11 | Method: | ELECTRON MICROSCOPY (3.7 Å) | Cite: | The coupling mechanism of mammalian respiratory complex I. Science, 370, 2020
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6FC7
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2ISJ
| BluB bound to oxidized FMN | Descriptor: | BluB, FLAVIN MONONUCLEOTIDE | Authors: | Larsen, N.A, Taga, M.E, Howard-Jones, A.R, Walsh, C.T, Walker, G.C. | Deposit date: | 2006-10-17 | Release date: | 2007-03-27 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | BluB cannibalizes flavin to form the lower ligand of vitamin B12. Nature, 446, 2007
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6ESY
| Human butyrylcholinesterase in complex with thioflavine T | Descriptor: | 2-[4-(dimethylamino)phenyl]-3,6-dimethyl-1,3-benzothiazol-3-ium, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Nachon, F, Brazzolotto, X, Wandhammer, M, Trovaslet-Leroy, M, Macdonald, I.R, Darvesh, S, Rosenberry, T.L. | Deposit date: | 2017-10-24 | Release date: | 2017-12-13 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Comparison of the Binding of Reversible Inhibitors to Human Butyrylcholinesterase and Acetylcholinesterase: A Crystallographic, Kinetic and Calorimetric Study. Molecules, 22, 2017
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6EZ2
| Human butyrylcholinesterase carbamylated. | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Brazzolotto, X, de la Mora, E, Dighe, S.N, Ross, B.P. | Deposit date: | 2017-11-14 | Release date: | 2018-12-12 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Rivastigmine and metabolite analogues with putative Alzheimer's disease-modifying properties in a Caenorhabditis elegans model. Commun Chem, 2019
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2IUP
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2J3H
| Crystal structure of Arabidopsis thaliana Double Bond Reductase (AT5G16970)-Apo form | Descriptor: | NADP-DEPENDENT OXIDOREDUCTASE P1 | Authors: | Youn, B, Kim, S.J, Moinuddin, S.G, Lee, C, Bedgar, D.L, Harper, A.R, Davin, L.B, Lewis, N.G, Kang, C. | Deposit date: | 2006-08-21 | Release date: | 2006-10-05 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Mechanistic and Structural Studies of Apoform, Binary, and Ternary Complexes of the Arabidopsis Alkenal Double Bond Reductase at5G16970. J.Biol.Chem., 281, 2006
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2P5J
| sPLA2 inhibitor pip 17 | Descriptor: | pip17 | Authors: | Thwin, M.M, Satyanarayanajois, D.S, Nagarajarao, L.M, Sato, K, Gopalakrishnakone, P.P, Arjunan, P. | Deposit date: | 2007-03-15 | Release date: | 2007-11-13 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Novel Peptide Inhibitors of Human Secretory Phospholipase A2 with Antiinflammatory Activity: Solution Structure and Molecular Modeling. J.Med.Chem., 50, 2007
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8BPP
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