3QYD
 
 | | Crystal structure of a recombinant chimeric trypsin inhibitor | | Descriptor: | Chymotrypsin inhibitor 3 | | Authors: | Sen, U, Majumder, S, Khamrui, S, Dasgupta, J. | | Deposit date: | 2011-03-03 | | Release date: | 2011-05-25 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.97 Å) | | Cite: | Role of remote scaffolding residues in the inhibitory loop pre-organization, flexibility, rigidification and enzyme inhibition of serine protease inhibitors
Biochim.Biophys.Acta, 1824, 2012
|
|
7VE2
 | | Crystal Structure of Lopinavir bound Plasmepsin II (PMII) from Plasmodium falciparum | | Descriptor: | 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, N-{1-BENZYL-4-[2-(2,6-DIMETHYL-PHENOXY)-ACETYLAMINO]-3-HYDROXY-5-PHENYL-PENTYL}-3-METHYL-2-(2-OXO-TETRAHYDRO-PYRIMIDIN-1-YL)-BUTYRAMIDE, Plasmepsin II | | Authors: | Mishra, V, Rathore, I, Bhaumik, P. | | Deposit date: | 2021-09-07 | | Release date: | 2023-02-01 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Inhibition of Plasmodium falciparum plasmepsins by drugs targeting HIV-1 protease: A way forward for antimalarial drug discovery.
Curr Res Struct Biol, 7, 2024
|
|
4D1U
 | | A D120A mutant of VIM-7 from Pseudomonas aeruginosa | | Descriptor: | METALLO-B-LACTAMASE, ZINC ION | | Authors: | Leiros, H.-K.S, Skagseth, S, Edvardsen, K.S.W, Lorentzen, M.S, Bjerga, G.E.K, Leiros, I, Samuelsen, O. | | Deposit date: | 2014-05-05 | | Release date: | 2014-06-25 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | His224 Alters the R2 Drug Binding Site and Phe218 Influences the Catalytic Efficiency in the Metallo-Beta-Lactamase Vim-7.
Antimicrob.Agents Chemother., 58, 2014
|
|
4D1W
 | | A H224Y mutant for VIM-7 from Pseudomonas aeruginosa | | Descriptor: | METALLO-B-LACTAMASE, ZINC ION | | Authors: | Leiros, H.-K.S, Skagseth, S, Edvardsen, K.S.W, Lorentzen, M.S, Bjerga, G.E.K, Leiros, I, Samuelsen, O. | | Deposit date: | 2014-05-05 | | Release date: | 2014-06-25 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | His224 Alters the R2 Drug Binding Site and Phe218 Influences the Catalytic Efficiency in the Metallo-Beta-Lactamase Vim-7.
Antimicrob.Agents Chemother., 58, 2014
|
|
1ZIU
 | |
7KX0
 | | Crystal structure of the CD27:CD70 co-stimulatory complex | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, CD27 antigen, ... | | Authors: | Maben, Z, Liu, W, Mosyak, L, Chaparro-Riggers, J. | | Deposit date: | 2020-12-02 | | Release date: | 2021-09-08 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.69 Å) | | Cite: | Structural delineation and phase-dependent activation of the costimulatory CD27:CD70 complex.
J.Biol.Chem., 297, 2021
|
|
2DDO
 | | Crystal Structure of Pyridoxal Kinase from the Escherichia coli pdxK gene at 2.6 A resolution | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, PHOSPHATE ION, ... | | Authors: | Safo, M.K, Musayev, F.N, di Salvo, M.L, Hunt, S, Claude, J.B, Schirch, V. | | Deposit date: | 2006-02-02 | | Release date: | 2006-08-15 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Crystal structure of pyridoxal kinase from the Escherichia coli pdxK gene: implications for the classification of pyridoxal kinases.
J.Bacteriol., 188, 2006
|
|
7W0G
 | | Human PPAR delta ligand binding domain in complex with a synthetic agonist H11 | | Descriptor: | 2-[2,6-dimethyl-4-[[5-oxidanylidene-4-[4-(trifluoromethyloxy)phenyl]-1,2,4-triazol-1-yl]methyl]phenoxy]-2-methyl-propanoic acid, Peroxisome proliferator-activated receptor delta | | Authors: | Dai, L, Sun, H.B, Yuan, H.L, Feng, Z.Q. | | Deposit date: | 2021-11-18 | | Release date: | 2022-02-02 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (2.443 Å) | | Cite: | Design, Synthesis, and Biological Evaluation of Triazolone Derivatives as Potent PPAR alpha / delta Dual Agonists for the Treatment of Nonalcoholic Steatohepatitis.
J.Med.Chem., 65, 2022
|
|
6YJM
 | | Crystal Structure of the Catalytic Domain of ADAMTS-5 in Complex with the Inhibitor GLPG1972 | | Descriptor: | (5~{S})-5-[3-[(3~{S})-4-[3,5-bis(fluoranyl)phenyl]-3-methyl-piperazin-1-yl]-3-oxidanylidene-propyl]-5-cyclopropyl-imidazolidine-2,4-dione, A disintegrin and metalloproteinase with thrombospondin motifs 5, CALCIUM ION, ... | | Authors: | Goepfert, A, Leonard, P, Triballeau, N, Fleury, D, Mollat, P, Lamers, M. | | Deposit date: | 2020-04-03 | | Release date: | 2021-04-14 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Discovery of GLPG1972/S201086, a Potent, Selective, and Orally Bioavailable ADAMTS-5 Inhibitor for the Treatment of Osteoarthritis.
J.Med.Chem., 64, 2021
|
|
4XFB
 | | cysteine dioxygenase variant - C93A at pH 8.0 unliganded | | Descriptor: | CHLORIDE ION, Cysteine dioxygenase type 1, FE (III) ION | | Authors: | Driggers, C.M, Karplus, P.A. | | Deposit date: | 2014-12-26 | | Release date: | 2016-02-24 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Structure-Based Insights into the Role of the Cys-Tyr Crosslink and Inhibitor Recognition by Mammalian Cysteine Dioxygenase.
J. Mol. Biol., 428, 2016
|
|
2UYX
 | | metallo-beta-lactamase (1BC2) single point mutant D120S | | Descriptor: | BETA-LACTAMASE II, GLYCEROL, ZINC ION | | Authors: | Larrull, L.I, Fabiane, S.M, Kowalski, J.M, Bennett, B, Sutton, B.J, Vila, A.J. | | Deposit date: | 2007-04-20 | | Release date: | 2007-05-08 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Asp-120 locates Zn2 for optimal metallo-beta-lactamase activity.
J. Biol. Chem., 282, 2007
|
|
4D1T
 | | High resolution structure of native tVIM-7 from Pseudomonas aeruginosa | | Descriptor: | METALLO-B-LACTAMASE, ZINC ION | | Authors: | Leiros, H.-K.S, Skagseth, S, Edvardsen, K.S.W, Lorentzen, M.S, Bjerga, G.E.K, Leiros, I, Samuelsen, O. | | Deposit date: | 2014-05-05 | | Release date: | 2014-06-25 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | His224 Alters the R2 Drug Binding Site and Phe218 Influences the Catalytic Efficiency in the Metallo-Beta-Lactamase Vim-7.
Antimicrob.Agents Chemother., 58, 2014
|
|
4D1V
 | | A F218Y mutant of VIM-7 from Pseudomonas aeruginosa | | Descriptor: | METALLO-B-LACTAMASE, ZINC ION | | Authors: | Leiros, H.-K.S, Skagseth, S, Edvardsen, K.S.W, Lorentzen, M.S, Bjerga, G.E.K, Leiros, I, Samuelsen, O. | | Deposit date: | 2014-05-05 | | Release date: | 2014-06-25 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | His224 Alters the R2 Drug Binding Site and Phe218 Influences the Catalytic Efficiency in the Metallo-Beta-Lactamase Vim-7.
Antimicrob.Agents Chemother., 58, 2014
|
|
2VN3
 | | Nitrite Reductase from Alcaligenes xylosoxidans | | Descriptor: | COPPER (II) ION, DISSIMILATORY COPPER-CONTAINING NITRITE REDUCTASE, SULFATE ION, ... | | Authors: | Sato, K, Firbank, S.J, Li, C, Banfield, M.J, Dennison, C. | | Deposit date: | 2008-01-30 | | Release date: | 2008-12-23 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | The Importance of the Long Type 1 Copper-Binding Loop of Nitrite Reductase for Structure and Function.
Chemistry, 14, 2008
|
|
3R37
 | | Crystal structure of Arthrobacter sp. strain SU 4-hydroxybenzoyl CoA thioesterase mutant E73Q complexed with 4-hydroxyphenacyl CoA | | Descriptor: | 4-HYDROXYPHENACYL COENZYME A, 4-hydroxybenzoyl-CoA thioesterase | | Authors: | Holden, H.M, Thoden, J.B, Song, F, Zhuang, Z, Trujillo, M, Dunaway-Mariano, D. | | Deposit date: | 2011-03-15 | | Release date: | 2012-03-28 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | The Catalytic Mechanism of the Hotdog-fold Enzyme Superfamily 4-Hydroxybenzoyl-CoA Thioesterase from Arthrobacter sp. Strain SU.
Biochemistry, 51, 2012
|
|
1AJ5
 | | CALPAIN DOMAIN VI APO | | Descriptor: | CALPAIN | | Authors: | Cygler, M, Grochulski, P, Blanchard, H. | | Deposit date: | 1997-05-15 | | Release date: | 1998-05-20 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structure of a calpain Ca(2+)-binding domain reveals a novel EF-hand and Ca(2+)-induced conformational changes.
Nat.Struct.Biol., 4, 1997
|
|
1A9T
 | | BOVINE PURINE NUCLEOSIDE PHOSPHORYLASE COMPLEXED WITH 9-DEAZAINOSINE AND PHOSPHATE | | Descriptor: | 1-O-phosphono-alpha-D-ribofuranose, HYPOXANTHINE, PURINE NUCLEOSIDE PHOSPHORYLASE | | Authors: | Mao, C, Cook, W.J, Zhou, M, Fedorov, A.A, Almo, S.C, Ealick, S.E. | | Deposit date: | 1998-04-10 | | Release date: | 1998-06-17 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Calf spleen purine nucleoside phosphorylase complexed with substrates and substrate analogues.
Biochemistry, 37, 1998
|
|
2X1S
 | | Crystallographic binding studies with an engineered monomeric variant of triosephosphate isomerase | | Descriptor: | 3-SULFOPROPANOIC ACID, SULFATE ION, TRIOSEPHOSPHATE ISOMERASE, ... | | Authors: | Salin, M, Kapetaniou, E.G, Vaismaa, M, Lajunen, M, Castejeijn, M.G, Neubauer, P, Salmon, L, Wierenga, R. | | Deposit date: | 2010-01-04 | | Release date: | 2010-01-26 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | Crystallographic Binding Studies with an Engineered Monomeric Variant of Triosephosphate Isomerase
Acta Crystallogr.,Sect.D, 66, 2010
|
|
3R3D
 | | Crystal structure of Arthrobacter sp. strain SU 4-hydroxybenzoyl CoA thioesterase mutant T77S complexed with 4-hydroxyphenacyl CoA | | Descriptor: | 4-HYDROXYPHENACYL COENZYME A, 4-hydroxybenzoyl-CoA thioesterase | | Authors: | Holden, H.M, Thoden, J.B, Song, F, Zhuang, Z, Trujillo, M, Dunaway-Mariano, D. | | Deposit date: | 2011-03-15 | | Release date: | 2012-03-28 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | The Catalytic Mechanism of the Hotdog-fold Enzyme Superfamily 4-Hydroxybenzoyl-CoA Thioesterase from Arthrobacter sp. Strain SU.
Biochemistry, 51, 2012
|
|
7FIL
 | |
2DDM
 | | Crystal Structure of Pyridoxal Kinase from the Escherichia coli PdxK gene at 2.1 A resolution | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Pyridoxine kinase | | Authors: | Safo, M.K, Musayev, F.N, di Salvo, M.L, Hunt, S, Claude, J.B, Schirch, V. | | Deposit date: | 2006-02-02 | | Release date: | 2006-08-15 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystal structure of pyridoxal kinase from the Escherichia coli pdxK gene: implications for the classification of pyridoxal kinases.
J.Bacteriol., 188, 2006
|
|
3R3F
 | | Crystal structure of Arthrobacter sp. strain SU 4-hydroxybenzoyl CoA thioesterase mutant T77A complexed with 4-hydroxyphenacyl CoA | | Descriptor: | 4-HYDROXYPHENACYL COENZYME A, 4-hydroxybenzoyl-CoA thioesterase | | Authors: | Holden, H.M, Thoden, J.B, Song, F, Zhuang, Z, Trujillo, M, Dunaway-Mariano, D. | | Deposit date: | 2011-03-15 | | Release date: | 2012-03-28 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | The Catalytic Mechanism of the Hotdog-fold Enzyme Superfamily 4-Hydroxybenzoyl-CoA Thioesterase from Arthrobacter sp. Strain SU.
Biochemistry, 51, 2012
|
|
3R3B
 | | Crystal structure of Arthrobacter sp. strain SU 4-hydroxybenzoyl CoA thioesterase mutant Q58A complexed with 4-hydroxyphenacyl CoA | | Descriptor: | 4-HYDROXYPHENACYL COENZYME A, 4-hydroxybenzoyl-CoA thioesterase | | Authors: | Holden, H.M, Thoden, J.B, Song, F, Zhuang, Z, Trujillo, M, Dunaway-Mariano, D. | | Deposit date: | 2011-03-15 | | Release date: | 2012-03-28 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | The Catalytic Mechanism of the Hotdog-fold Enzyme Superfamily 4-Hydroxybenzoyl-CoA Thioesterase from Arthrobacter sp. Strain SU.
Biochemistry, 51, 2012
|
|
1LCB
 | |
2WNL
 | | CRYSTAL STRUCTURE OF APLYSIA ACHBP IN COMPLEX WITH ANABASEINE | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 3,4,5,6-tetrahydro-2,3'-bipyridine, 5-amino-1-pyridin-3-ylpentan-1-one, ... | | Authors: | Sulzenbacher, G, Hibbs, R, Shi, J, Talley, T, Conrod, S, Kem, W, Taylor, P, Marchot, P, Bourne, Y. | | Deposit date: | 2009-07-09 | | Release date: | 2009-09-01 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structural determinants for interaction of partial agonists with acetylcholine binding protein and neuronal alpha7 nicotinic acetylcholine receptor.
EMBO J., 28, 2009
|
|
