5A62
| Hydrolytic potential of the ammonia-oxidizing Thaumarchaeon Nitrososphaera gargenis - crystal structure and activity profiles of carboxylesterases linked to their metabolic function | Descriptor: | ACETATE ION, PUTATIVE ALPHA/BETA HYDROLASE FOLD PROTEIN | Authors: | Chow, J, Kaljunen, H, Nittinger, E, Spieck, E, Rarey, M, Mueller-Dieckmann, J, Streit, W.R. | Deposit date: | 2015-06-24 | Release date: | 2016-07-06 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Hydrolytic Potential of the Ammonia-Oxidizing Thaumarchaeon Nitrososphaera Gargenis - Crystal Structure and Activity Profiles of Carboxylesterases Linked to Their Metabolic Function To be Published
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7PZJ
| Structure of a bacteroidetal polyethylene terephthalate (PET) esterase | Descriptor: | Lipase, POTASSIUM ION | Authors: | Zang, H, Dierkes, R, Perez-Garcia, P, Weigert, S, Sternagel, S, Hallam, S.J, Applegate, V, Schumacher, J, Schott, T, Pleiss, J, Almeida, A, Hoecker, B, Smits, S.H, Schmitz, R.A, Chow, J, Streit, W.R. | Deposit date: | 2021-10-12 | Release date: | 2022-03-02 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | The Bacteroidetes Aequorivita sp. and Kaistella jeonii Produce Promiscuous Esterases With PET-Hydrolyzing Activity. Front Microbiol, 12, 2021
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3M9J
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2UBP
| STRUCTURE OF NATIVE UREASE FROM BACILLUS PASTEURII | Descriptor: | NICKEL (II) ION, PROTEIN (UREASE ALPHA SUBUNIT), PROTEIN (UREASE BETA SUBUNIT), ... | Authors: | Benini, S, Rypniewski, W.R, Wilson, K.S, Ciurli, S, Mangani, S. | Deposit date: | 1998-11-04 | Release date: | 1999-11-08 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | A new proposal for urease mechanism based on the crystal structures of the native and inhibited enzyme from Bacillus pasteurii: why urea hydrolysis costs two nickels. Structure Fold.Des., 7, 1999
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2TSC
| STRUCTURE, MULTIPLE SITE BINDING, AND SEGMENTAL ACCOMODATION IN THYMIDYLATE SYNTHASE ON BINDING D/UMP AND AN ANTI-FOLATE | Descriptor: | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID, 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, THYMIDYLATE SYNTHASE | Authors: | Montfort, W.R, Stroud, R.M. | Deposit date: | 1991-07-03 | Release date: | 1991-10-15 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | Structure, multiple site binding, and segmental accommodation in thymidylate synthase on binding dUMP and an anti-folate. Biochemistry, 29, 1990
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3UNY
| Bacillus cereus phosphopentomutase T85E variant soaked with glucose 1,6-bisphosphate | Descriptor: | GLYCEROL, MANGANESE (II) ION, Phosphopentomutase | Authors: | Iverson, T.M, Birmingham, W.R, Panosian, T.D, Nannemann, D.P, Bachmann, B.O. | Deposit date: | 2011-11-16 | Release date: | 2012-02-29 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Molecular Differences between a Mutase and a Phosphatase: Investigations of the Activation Step in Bacillus cereus Phosphopentomutase. Biochemistry, 51, 2012
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8FR5
| Crystal structure of the Human Smacovirus 1 Rep domain | Descriptor: | MANGANESE (II) ION, Rep, SODIUM ION | Authors: | Limon, L.K, Shi, K, Dao, A, Rugloski, J, Tompkins, K.J, Aihara, H, Gordon, W.R, Evans IIII, R.L. | Deposit date: | 2023-01-06 | Release date: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.33 Å) | Cite: | The crystal structure of the human smacovirus 1 Rep domain. Acta Crystallogr.,Sect.F, 79, 2023
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1NMB
| THE STRUCTURE OF A COMPLEX BETWEEN THE NC10 ANTIBODY AND INFLUENZA VIRUS NEURAMINIDASE AND COMPARISON WITH THE OVERLAPPING BINDING SITE OF THE NC41 ANTIBODY | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, FAB NC10, ... | Authors: | Malby, R.L, Tulip, W.R, Colman, P.M. | Deposit date: | 1995-01-17 | Release date: | 1995-09-15 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | The structure of a complex between the NC10 antibody and influenza virus neuraminidase and comparison with the overlapping binding site of the NC41 antibody Structure, 2, 1994
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4W8Q
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4UQH
| Crystal structure of Trypanosoma cruzi CYP51 bound to the inhibitor (R)-N-(3-(1H-indol-3-yl)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl)-4-(4-(3,4-difluorophenyl)piperazin-1-yl)-2-fluorobenzamide. | Descriptor: | (R)-N-(3-(1H-indol-3-yl)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl)-4-(4-(3,4-difluorophenyl)piperazin-1-yl)-2-fluorobenzamide, PROTOPORPHYRIN IX CONTAINING FE, STEROL 14-ALPHA DEMETHYLASE, ... | Authors: | Calvet, C.M, Vieira, D.F, Choi, J.Y, Cameron, M.D, Gut, J, Kellar, D, Siqueira-Neto, J.L, McKerrow, J.H, Roush, W.R, Podust, L.M. | Deposit date: | 2014-06-23 | Release date: | 2014-08-20 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.43 Å) | Cite: | 4-Aminopyridyl-Based Cyp51 Inhibitors as Anti-Trypanosoma Cruzi Drug Leads with Improved Pharmacokinetic Profile and in Vivo Potency. J.Med.Chem., 57, 2014
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4UVR
| Binding mode, selectivity and potency of N-indolyl-oxopyridinyl-4- amino-propanyl-based inhibitors targeting Trypanosoma cruzi CYP51 | Descriptor: | Nalpha-{4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-fluorobenzoyl}-N-pyridin-4-yl-D-tryptophanamide, PROTOPORPHYRIN IX CONTAINING FE, STEROL 14-DEMETHYLASE, ... | Authors: | Vieira, D.F, Choi, J.Y, Calvet, C.M, Gut, J, Kellar, D, Siqueira-Neto, J.L, Johnston, J.B, McKerrow, J.H, Roush, W.R, Podust, L.M. | Deposit date: | 2014-08-08 | Release date: | 2014-11-26 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.48 Å) | Cite: | Binding Mode and Potency of N-Indolyl-Oxopyridinyl-4-Amino-Propanyl-Based Inhibitors Targeting Trypanosoma Cruzi Cyp51 J.Med.Chem., 57, 2014
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7XKW
| The 3D strcuture of (-)-cyperene synthase with substrate analogue FSPP | Descriptor: | (-)-cyperene synthase, MAGNESIUM ION, S-[(2E,6E)-3,7,11-TRIMETHYLDODECA-2,6,10-TRIENYL] TRIHYDROGEN THIODIPHOSPHATE | Authors: | Yu, S.S, Zhu, P, Liu, Y.B, Ma, S.G, Ye, D, Shao, Y.Z, Li, W.R, Cui, Z.J. | Deposit date: | 2022-04-20 | Release date: | 2023-10-25 | Last modified: | 2024-04-03 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Characterization and Engineering of Two Highly Paralogous Sesquiterpene Synthases Reveal a Regioselective Reprotonation Switch. Angew.Chem.Int.Ed.Engl., 63, 2024
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4CAT
| THREE-DIMENSIONAL STRUCTURE OF CATALASE FROM PENICILLIUM VITALE AT 2.0 ANGSTROMS RESOLUTION | Descriptor: | CATALASE, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Vainshtein, B.K, Melik-Adamyan, W.R, Barynin, V.V, Vagin, A.A, Grebenko, A.I. | Deposit date: | 1983-02-24 | Release date: | 1983-09-06 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Three-dimensional structure of catalase from Penicillium vitale at 2.0 A resolution. J.Mol.Biol., 188, 1986
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1NCA
| REFINED CRYSTAL STRUCTURE OF THE INFLUENZA VIRUS N9 NEURAMINIDASE-NC41 FAB COMPLEX | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, IGG2A-KAPPA NC41 FAB (HEAVY CHAIN), ... | Authors: | Tulip, W.R, Varghese, J.N, Colman, P.M. | Deposit date: | 1992-01-21 | Release date: | 1994-01-31 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Refined crystal structure of the influenza virus N9 neuraminidase-NC41 Fab complex. J.Mol.Biol., 227, 1992
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1NCB
| CRYSTAL STRUCTURES OF TWO MUTANT NEURAMINIDASE-ANTIBODY COMPLEXES WITH AMINO ACID SUBSTITUTIONS IN THE INTERFACE | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Tulip, W.R, Varghese, J.N, Colman, P.M. | Deposit date: | 1992-01-21 | Release date: | 1994-01-31 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal structures of two mutant neuraminidase-antibody complexes with amino acid substitutions in the interface. J.Mol.Biol., 227, 1992
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8S9Z
| Mpro inhibitors of SARS-CoV-2 | Descriptor: | 3C-like proteinase nsp5, Mpro inhibitor | Authors: | Blankenship, L.R, Liu, W.R. | Deposit date: | 2023-03-30 | Release date: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structure of MPI89 with Mpro of SARS-CoV-2 at 1.85A resolution. To Be Published
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8T2H
| DYRK1A complex with DYR530 | Descriptor: | (4P)-4-{(3M)-3-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]-2-methyl-3H-imidazo[4,5-b]pyridin-5-yl}pyridin-2-amine, Dual specificity tyrosine-phosphorylation-regulated kinase 1A, GLYCEROL, ... | Authors: | Montfort, W.R, Basantes, L.E. | Deposit date: | 2023-06-06 | Release date: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Discovery of DYR684, a Potent, Selective, Metabolically Stable, DYRK1A/B PROTAC utilizing a Novel Cereblon Molecular Glue To Be Published
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8STY
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8STZ
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4UBP
| STRUCTURE OF BACILLUS PASTEURII UREASE INHIBITED WITH ACETOHYDROXAMIC ACID AT 1.55 A RESOLUTION | Descriptor: | ACETOHYDROXAMIC ACID, NICKEL (II) ION, PROTEIN (UREASE (CHAIN A)), ... | Authors: | Benini, S, Rypniewski, W.R, Wilson, K.S, Ciurli, S, Mangani, S. | Deposit date: | 1999-02-25 | Release date: | 2000-03-06 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | The complex of Bacillus pasteurii urease with acetohydroxamate anion from X-ray data at 1.55 A resolution. J.Biol.Inorg.Chem., 5, 2000
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4GJ4
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4GL4
| Crystal structure of oxidized S-nitrosoglutathione reductase from Arabidopsis thalina, complex with NADH | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, Alcohol dehydrogenase class-3, SULFATE ION, ... | Authors: | Weichsel, A, Crotty, J, Montfort, W.R. | Deposit date: | 2012-08-13 | Release date: | 2013-02-27 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structure and kinetic behavior of alcohol dehydrogenase III/S-nitrosoglutathione reductase from arabidopsis thalina To be Published
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1ERW
| HUMAN THIOREDOXIN DOUBLE MUTANT WITH CYS 32 REPLACED BY SER AND CYS 35 REPLACED BY SER | Descriptor: | THIOREDOXIN | Authors: | Weichsel, A, Gasdaska, J.R, Powis, G, Montfort, W.R. | Deposit date: | 1996-02-07 | Release date: | 1996-10-14 | Last modified: | 2021-11-03 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structures of reduced, oxidized, and mutated human thioredoxins: evidence for a regulatory homodimer. Structure, 4, 1996
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1ERV
| HUMAN THIOREDOXIN MUTANT WITH CYS 73 REPLACED BY SER (REDUCED FORM) | Descriptor: | THIOREDOXIN | Authors: | Weichsel, A, Gasdaska, J.R, Powis, G, Montfort, W.R. | Deposit date: | 1996-02-07 | Release date: | 1996-10-14 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Crystal structures of reduced, oxidized, and mutated human thioredoxins: evidence for a regulatory homodimer. Structure, 4, 1996
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1ERT
| HUMAN THIOREDOXIN (REDUCED FORM) | Descriptor: | THIOREDOXIN | Authors: | Weichsel, A, Gasdaska, J.R, Powis, G, Montfort, W.R. | Deposit date: | 1996-02-07 | Release date: | 1996-10-14 | Last modified: | 2018-04-18 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystal structures of reduced, oxidized, and mutated human thioredoxins: evidence for a regulatory homodimer. Structure, 4, 1996
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