1YT9
 
 | | HIV Protease with oximinoarylsulfonamide bound | | Descriptor: | (S)-N-((2S,3R)-3-HYDROXY-4-(4-((E)-(HYDROXYIMINO)METHYL)-N-ISOBUTYLPHENYLSULFONAMIDO)-1-PHENYLBUTAN-2-YL)-3-METHYL-2-(3 -((2-METHYLTHIAZOL-4-YL)METHYL)-2-OXOIMIDAZOLIDIN-1-YL)BUTANAMIDE, Pol polyprotein | | Authors: | Yeung, C.M, Klein, L.L, Flentge, C.A, Randolph, J.T, Zhao, C, Sun, M, Dekhtyar, T, Stoll, V.S, Kempf, D.J. | | Deposit date: | 2005-02-10 | | Release date: | 2005-04-12 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Oximinoarylsulfonamides as potent HIV protease inhibitors.
Bioorg.Med.Chem.Lett., 15, 2005
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1NZ0
 | | RNASE P PROTEIN FROM THERMOTOGA MARITIMA | | Descriptor: | Ribonuclease P protein component, SULFATE ION | | Authors: | Kazantsev, A.V, Krivenko, A.A, Harrington, D.J, Carter, R.J, Holbrook, S.R, Adams, P.D, Pace, N.R, Berkeley Structural Genomics Center (BSGC) | | Deposit date: | 2003-02-14 | | Release date: | 2003-06-24 | | Last modified: | 2021-10-27 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | High-resolution structure of RNase P protein from Thermotoga maritima.
Proc.Natl.Acad.Sci.USA, 100, 2003
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1YSX
 | | Solution structure of domain 3 from human serum albumin complexed to an anti-apoptotic ligand directed against Bcl-xL and Bcl-2 | | Descriptor: | 4-({2-[(2,4-DIMETHYLPHENYL)SULFANYL]ETHYL}AMINO)-N-[(4'-FLUORO-1,1'-BIPHENYL-4-YL)CARBONYL]-3-NITROBENZENESULFONAMIDE, Serum albumin | | Authors: | Oltersdorf, T, Elmore, S.W, Shoemaker, A.R, Armstrong, R.C, Augeri, D.J, Belli, B.A, Bruncko, M, Deckwerth, T.L, Dinges, J, Hajduk, P.J, Joseph, M.K, Kitada, S, Korsmeyer, S.J, Kunzer, A.R, Letai, A, Li, C, Mitten, M.J, Nettesheim, D.G, Ng, S, Nimmer, P.M, O'Connor, J.M, Oleksijew, A, Petros, A.M, Reed, J.C, Shen, W, Tahir, S.K, Thompson, C.B, Tomaselli, K.J, Wang, B, Wendt, M.D, Zhang, H, Fesik, S.W, Rosenberg, S.H. | | Deposit date: | 2005-02-09 | | Release date: | 2005-06-07 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | An inhibitor of Bcl-2 family proteins induces regression of solid tumours
Nature, 435, 2005
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1O6H
 | | Squalene-Hopene Cyclase | | Descriptor: | (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, N-(6-{[1-(4-BROMOPHENYL)ISOQUINOLIN-6-YL]OXY}HEXYL)-N-METHYLPROP-2-EN-1-AMINE, SQUALENE--HOPENE CYCLASE | | Authors: | Lenhart, A, Reinert, D.J, Weihofen, W.A, Aebi, J.D, Dehmlow, H, Morand, O.H, Schulz, G.E. | | Deposit date: | 2002-10-03 | | Release date: | 2003-10-02 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Binding Structures and Potencies of Oxidosqualene Cyclase Inhibitors with the Homologous Squalene-Hopene Cyclase
J.Med.Chem., 46, 2003
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6S61
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1YP8
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1YP6
 | | Van der Waals Interactions Dominate Hydrophobic Association in a Protein Binding Site Occluded From Solvent Water | | Descriptor: | 2-ISOBUTYL-3-METHOXYPYRAZINE, CADMIUM ION, CHLORIDE ION, ... | | Authors: | Barratt, E, Bingham, R.J, Warner, D.J, Laughton, C.A, Phillips, S.E.V, Homans, S.W. | | Deposit date: | 2005-01-30 | | Release date: | 2005-08-30 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Van der Waals Interactions Dominate Ligand-Protein Association in a Protein Binding Site Occluded from Solvent Water
J.Am.Chem.Soc., 127, 2005
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4F9D
 | | Structure of Escherichia coli PgaB 42-655 in complex with nickel | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ACETIC ACID, CALCIUM ION, ... | | Authors: | Little, D.J, Poloczek, J, Whitney, J.C, Robinson, H, Nitz, M, Howell, P.L. | | Deposit date: | 2012-05-18 | | Release date: | 2012-07-25 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | The Structure and Metal Dependent Activity of Escherichia coli PgaB Provides Insight into the Partial De-N-acetylation of Poly-b-1,6-N-acetyl-D-glucosamine
J.Biol.Chem., 287, 2012
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7UDQ
 | | Crystal structure of COQ8A-CA157 inhibitor complex in space group P1 | | Descriptor: | 4-[(3,4,5-trimethoxyphenyl)amino]quinoline-7-carbonitrile, Atypical kinase COQ8A, mitochondrial, ... | | Authors: | Bingman, C.A, Murray, N, Smith, R.W, Pagliarini, D.J. | | Deposit date: | 2022-03-20 | | Release date: | 2023-01-18 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Small-molecule inhibition of the archetypal UbiB protein COQ8.
Nat.Chem.Biol., 19, 2023
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7UDP
 | | Crystal structure of COQ8A-CA157 inhibitor complex in space group C2 | | Descriptor: | 4-[(3,4,5-trimethoxyphenyl)amino]quinoline-7-carbonitrile, Atypical kinase COQ8A, mitochondrial | | Authors: | Bingman, C.A, Murray, N, Smith, R.W, Pagliarini, D.J. | | Deposit date: | 2022-03-20 | | Release date: | 2023-01-18 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | Small-molecule inhibition of the archetypal UbiB protein COQ8.
Nat.Chem.Biol., 19, 2023
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1O99
 | | CRYSTAL STRUCTURE OF THE S62A MUTANT OF PHOSPHOGLYCERATE MUTASE FROM BACILLUS STEAROTHERMOPHILUS COMPLEXED WITH 2-PHOSPHOGLYCERATE | | Descriptor: | 2,3-BISPHOSPHOGLYCERATE-INDEPENDENT PHOSPHOGLYCERATE MUTASE, 2-PHOSPHOGLYCERIC ACID, MANGANESE (II) ION, ... | | Authors: | Rigden, D.J, Lamani, E, Littlejohn, J.E, Jedrzejas, M.J. | | Deposit date: | 2002-12-11 | | Release date: | 2002-12-23 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Insights Into the Catalytic Mechanism of Cofactor-Independent Phosphoglycerate Mutase from X-Ray Crystallography, Simulated Dynamics and Molecular Modeling
J.Mol.Biol., 328, 2003
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1ZRI
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4F1N
 | | Crystal structure of Kluyveromyces polysporus Argonaute with a guide RNA | | Descriptor: | KpAGO, RNA 5'-R(P*UP*AP*AP*AP*AP*AP*AP*AP*A)-3' | | Authors: | Nakanishi, K, Weinberg, D.E, Bartel, D.P, Patel, D.J. | | Deposit date: | 2012-05-07 | | Release date: | 2012-06-13 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (3.187 Å) | | Cite: | Structure of yeast Argonaute with guide RNA.
Nature, 486, 2012
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1OB9
 | | Holliday Junction Resolving Enzyme | | Descriptor: | 1,2-ETHANEDIOL, FORMIC ACID, HOLLIDAY JUNCTION RESOLVASE | | Authors: | Middleton, C.L, Parker, J.L, Richard, D.J, White, M.F, Bond, C.S. | | Deposit date: | 2003-01-28 | | Release date: | 2004-10-15 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Substrate Recognition and Catalysis by the Holliday Junction Resolving Enzyme Hje.
Nucleic Acids Res., 32, 2004
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1O98
 | | 1.4A CRYSTAL STRUCTURE OF PHOSPHOGLYCERATE MUTASE FROM BACILLUS STEAROTHERMOPHILUS COMPLEXED WITH 2-PHOSPHOGLYCERATE | | Descriptor: | 2,3-BISPHOSPHOGLYCERATE-INDEPENDENT PHOSPHOGLYCERATE MUTASE, 2-PHOSPHOGLYCERIC ACID, MANGANESE (II) ION, ... | | Authors: | Rigden, D.J, Lamani, E, Littlejohn, J.E, Jedrzejas, M.J. | | Deposit date: | 2002-12-11 | | Release date: | 2003-05-01 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Insights Into the Catalytic Mechanism of Cofactor-Independent Phosphoglycerate Mutase from X-Ray Crystallography, Simulated Dynamics and Molecular Modeling
J.Mol.Biol., 328, 2003
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1ODT
 | | cephalosporin C deacetylase mutated, in complex with acetate | | Descriptor: | ACETATE ION, CEPHALOSPORIN C DEACETYLASE | | Authors: | Vincent, F, Charnock, S.J, Verschueren, K.H.G, Turkenburg, J.P, Scott, D.J, Offen, W.A, Roberts, S, Pell, G, Gilbert, H.J, Brannigan, J.A, Davies, G.J. | | Deposit date: | 2003-02-20 | | Release date: | 2003-07-10 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Multifunctional Xylooligosaccharide/Cephalosporin C Deacetylase Revealed by the Hexameric Structure of the Bacillus Subtilis Enzyme at 1.9A Resolution
J.Mol.Biol., 330, 2003
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1ZPU
 | | Crystal Structure of Fet3p, a Multicopper Oxidase that Functions in Iron Import | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, COPPER (I) ION, ... | | Authors: | Taylor, A.B, Stoj, C.S, Ziegler, L, Kosman, D.J, Hart, P.J. | | Deposit date: | 2005-05-17 | | Release date: | 2005-10-04 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | The copper-iron connection in biology: Structure of the metallo-oxidase Fet3p.
Proc.Natl.Acad.Sci.Usa, 102, 2005
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4EYU
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4X9X
 | | Biochemical Roles for Conserved Residues in the Bacterial Fatty Acid Binding Protein Family | | Descriptor: | 1,2-ETHANEDIOL, DegV domain-containing protein MW1315, OLEIC ACID | | Authors: | Broussard, T.C, Miller, D.J, Jackson, P, Nourse, A, Rock, C.O. | | Deposit date: | 2014-12-11 | | Release date: | 2016-01-27 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.199 Å) | | Cite: | Biochemical Roles for Conserved Residues in the Bacterial Fatty Acid-binding Protein Family.
J.Biol.Chem., 291, 2016
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4XD2
 | | Horse liver alcohol dehydrogenase-NADH complex | | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, Alcohol dehydrogenase E chain, ... | | Authors: | Plapp, B.V, Baskar Raj, S, Ferraro, D.J. | | Deposit date: | 2014-12-18 | | Release date: | 2015-01-14 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | Structure of Horse liver alcohol dehydrogenase complexed with NADH
To Be Published
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1ZVD
 | | Regulation of Smurf2 Ubiquitin Ligase Activity by Anchoring the E2 to the HECT domain | | Descriptor: | PHOSPHATE ION, SODIUM ION, Smad ubiquitination regulatory factor 2 | | Authors: | Ogunjimi, A.A, Briant, D.J, Pece-Barbara, N, Le Roy, C, Di Guglielmo, G.M, Kavsak, P, Rasmussen, R.K, Seet, B.T, Sicheri, F, Wrana, J.L. | | Deposit date: | 2005-06-01 | | Release date: | 2005-08-09 | | Last modified: | 2011-09-28 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Regulation of Smurf2 Ubiquitin Ligase Activity by Anchoring the E2 to the HECT Domain.
Mol.Cell, 19, 2005
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4XEK
 | | Pyk2-FAT domain in complex with leupaxin LD4 motif | | Descriptor: | 19-mer peptide containing Leupaxin LD4 motif, Protein-tyrosine kinase 2-beta | | Authors: | Miller, D.J. | | Deposit date: | 2014-12-24 | | Release date: | 2015-12-30 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.793 Å) | | Cite: | Structural Basis for the Interaction between Pyk2-FAT Domain and Leupaxin LD Repeats.
Biochemistry, 55, 2016
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1Y26
 | | A-riboswitch-adenine complex | | Descriptor: | ADENINE, MAGNESIUM ION, Vibrio vulnificus A-riboswitch | | Authors: | Serganov, A, Yuan, Y.R, Patel, D.J. | | Deposit date: | 2004-11-20 | | Release date: | 2004-12-28 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural Basis for Discriminative Regulation of Gene Expression by Adenine- and Guanine-Sensing mRNAs
Chem.Biol., 11, 2004
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6RH5
 | | Solution structure and 1H, 13C and 15N chemical shift assignments for NECAP1 PHear domain | | Descriptor: | Adaptin ear-binding coat-associated protein 1 | | Authors: | Owen, D.J, Neuhaus, D, Yang, J.-C, Herrmann, T. | | Deposit date: | 2019-04-18 | | Release date: | 2019-09-04 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Temporal Ordering in Endocytic Clathrin-Coated Vesicle Formation via AP2 Phosphorylation.
Dev.Cell, 50, 2019
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1NTB
 | | 2.9 A crystal structure of Streptomycin RNA-aptamer complex | | Descriptor: | 5'-R(*CP*GP*GP*CP*AP*CP*CP*AP*CP*GP*GP*UP*CP*GP*GP*AP*UP*C)-3', 5'-R(*GP*GP*AP*UP*CP*GP*CP*AP*UP*UP*UP*GP*GP*AP*CP*UP*UP*CP*UP*GP*CP*C)-3', MAGNESIUM ION, ... | | Authors: | Tereshko, V, Skripkin, E, Patel, D.J. | | Deposit date: | 2003-01-29 | | Release date: | 2003-05-13 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Encapsulating Streptomycin within a small 40-mer RNA
CHEM.BIOL., 10, 2003
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