2HFP
 
 | | Crystal Structure of PPAR Gamma with N-sulfonyl-2-indole carboxamide ligands | | Descriptor: | 3-(4-METHOXYPHENYL)-N-(PHENYLSULFONYL)-1-[3-(TRIFLUOROMETHYL)BENZYL]-1H-INDOLE-2-CARBOXAMIDE, Peroxisome proliferator-activated receptor gamma, SRC Peptide Fragment | | Authors: | Pokross, M.E, Evdokimov, A.G, Walter, R.L, Mekel, M.J, Hopkins, C.R. | | Deposit date: | 2006-06-25 | | Release date: | 2006-09-19 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Design and synthesis of novel N-sulfonyl-2-indole carboxamides as potent PPAR-gamma binding agents with potential application to the treatment of osteoporosis.
Bioorg.Med.Chem.Lett., 16, 2006
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2ANW
 | | Expression, crystallization and three-dimensional structure of the catalytic domain of human plasma kallikrein: Implications for structure-based design of protease inhibitors | | Descriptor: | BENZAMIDINE, plasma kallikrein, light chain | | Authors: | Tang, J, Yu, C.L, Williams, S.R, Springman, E, Jeffery, D, Sprengeler, P.A, Estevez, A, Sampang, J, Shrader, W, Spencer, J.R, Young, W.B, McGrath, M.E, Katz, B.A. | | Deposit date: | 2005-08-11 | | Release date: | 2005-10-11 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Expression, crystallization, and three-dimensional structure of the catalytic domain of human plasma kallikrein.
J.Biol.Chem., 280, 2005
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3NOX
 | | Crystal structure of human DPP-IV in complex with Sa-(+)-(6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methylimidazo[1,2-a]pyrimidin-2-yl)(morpholino)methanone | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Dipeptidyl-peptidase 4 (CD26, ... | | Authors: | Klei, H.E. | | Deposit date: | 2010-06-25 | | Release date: | 2010-08-11 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.338 Å) | | Cite: | Discovery of 6-(Aminomethyl)-5-(2,4-dichlorophenyl)-7-methylimidazo[1,2-a]pyrimidine-2-carboxamides as Potent, Selective Dipeptidyl Peptidase-4 (DPP4) Inhibitors.
J.Med.Chem., 53, 2010
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3JWO
 | | Structure of HIV-1 gp120 with gp41-Interactive Region: Layered Architecture and Basis of Conformational Mobility | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, FAB 48D Heavy CHAIN, FAB 48D LIGHT CHAIN, ... | | Authors: | Pancera, M, Majeed, S, Huang, C.C, Kwon, Y.D, Zhou, T, Robinson, J.E, Sodroski, J, Wyatt, R, Kwong, P.D. | | Deposit date: | 2009-09-18 | | Release date: | 2009-12-29 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (3.51 Å) | | Cite: | Structure of HIV-1 gp120 with gp41-interactive region reveals layered envelope architecture and basis of conformational mobility.
Proc.Natl.Acad.Sci.USA, 107, 2010
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5F62
 | | Crystal structure of the first bromodomain of human BRD4 in complex with MA4-022-2 | | Descriptor: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, ~{N}-[2-chloranyl-5-[[2-[[3-fluoranyl-4-(4-methylpiperazin-1-yl)phenyl]amino]-5-methyl-pyrimidin-4-yl]amino]phenyl]-2-methyl-propane-2-sulfonamide | | Authors: | Ember, S.W, Zhu, J.-Y, Schonbrunn, E. | | Deposit date: | 2015-12-04 | | Release date: | 2017-02-08 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Potent Dual BET Bromodomain-Kinase Inhibitors as Value-Added Multitargeted Chemical Probes and Cancer Therapeutics.
Mol. Cancer Ther., 16, 2017
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2WY7
 | | Staphylococcus aureus complement subversion protein Sbi-IV in complex with complement fragment C3d revealing an alternative binding mode | | Descriptor: | COMPLEMENT C3D FRAGMENT, GLYCEROL, IGG-BINDING PROTEIN | | Authors: | Clark, E.A, Crennell, S, Upadhyay, A, Mackay, J.D, Bagby, S, van den Elsen, J.M. | | Deposit date: | 2009-11-13 | | Release date: | 2010-12-01 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | A Structural Basis for Staphylococcal Complement Subversion: X-Ray Structure of the Complement- Binding Domain of Staphylococcus Aureus Protein Sbi in Complex with Ligand C3D.
Mol.Immunol., 48, 2011
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1K51
 | | A G55A Mutation Induces 3D Domain Swapping in the B1 Domain of Protein L from Peptostreptococcus magnus | | Descriptor: | Protein L, ZINC ION | | Authors: | O'Neill, J.W, Kim, D.E, Johnsen, K, Baker, D, Zhang, K.Y.J. | | Deposit date: | 2001-10-09 | | Release date: | 2001-12-05 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Single-site mutations induce 3D domain swapping in the B1 domain of protein L from Peptostreptococcus magnus.
Structure, 9, 2001
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3NTA
 | | Structure of the Shewanella loihica PV-4 NADH-dependent persulfide reductase | | Descriptor: | CHLORIDE ION, COENZYME A, FAD-dependent pyridine nucleotide-disulphide oxidoreductase, ... | | Authors: | Sazinsky, M.H, Crane, E.J, Warner, M.D, Lukose, V, Lee, K.H. | | Deposit date: | 2010-07-03 | | Release date: | 2010-12-08 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | Characterization of an NADH-Dependent Persulfide Reductase from Shewanella loihica PV-4: Implications for the Mechanism of Sulfur Respiration via FAD-Dependent Enzymes .
Biochemistry, 50, 2010
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2HNU
 | | Crystal Structure of a Dipeptide Complex of Bovine Neurophysin-I | | Descriptor: | Oxytocin-neurophysin 1, PHENYLALANINE, TYROSINE | | Authors: | Li, X, Lee, H, Wu, J, Breslow, E. | | Deposit date: | 2006-07-13 | | Release date: | 2007-04-24 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Contributions of the interdomain loop, amino terminus, and subunit interface to the ligand-facilitated dimerization of neurophysin: crystal structures and mutation studies of bovine neurophysin-I.
Protein Sci., 16, 2007
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3ENM
 | | The structure of the MAP2K MEK6 reveals an autoinhibitory dimer | | Descriptor: | 1,2-ETHANEDIOL, Dual specificity mitogen-activated protein kinase kinase 6, GLYCEROL, ... | | Authors: | Min, X, Akella, R, He, H, Humphreys, J.M, Tsutakawa, S, Lee, S.-J, Tainer, J.A, Cobb, M.H, Goldsmith, E.J. | | Deposit date: | 2008-09-25 | | Release date: | 2009-03-03 | | Last modified: | 2021-10-20 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | The structure of the MAP2K MEK6 reveals an autoinhibitory dimer
Structure, 17, 2009
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3O4P
 | | DFPase at 0.85 Angstrom resolution (H atoms included) | | Descriptor: | 1,2-DIMETHOXYETHANE, 1,2-ETHANEDIOL, 1-ETHOXY-2-(2-METHOXYETHOXY)ETHANE, ... | | Authors: | Liebschner, D, Elias, M, Koepke, J, Lecomte, C, Guillot, B, Jelsch, C, Chabriere, E. | | Deposit date: | 2010-07-27 | | Release date: | 2011-08-17 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (0.85 Å) | | Cite: | Hydrogen atoms in protein structures: high-resolution X-ray diffraction structure of the DFPase.
BMC Res Notes, 6, 2013
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4K0O
 | | F17b-G lectin domain with bound GlcNAc(beta1-3)Gal | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-methyl beta-D-galactopyranoside, F17b-G fimbrial adhesin, NICKEL (II) ION, ... | | Authors: | Buts, L, Loris, R, Bouckaert, J, Moonens, K. | | Deposit date: | 2013-04-04 | | Release date: | 2013-04-17 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Structural Sampling of Glycan Interaction Profiles Reveals Mucosal Receptors for Fimbrial Adhesins of Enterotoxigenic Escherichia coli
Biology (Basel), 2, 2013
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2X03
 | | The X-ray structure of the Streptomyces coelicolor A3 Chondroitin AC Lyase Y253A mutant | | Descriptor: | MAGNESIUM ION, PUTATIVE SECRETED LYASE | | Authors: | Elmabrouk, Z.H, Taylor, E.J, Vincent, F, Smith, N.L, Turkenburg, J.P, Davies, G.J, Black, G.W. | | Deposit date: | 2009-12-04 | | Release date: | 2010-08-18 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal Structures of a Family 8 Polysaccharide Lyase Reveal Open and Highly Occluded Substrate-Binding Cleft Conformations.
Proteins, 79, 2011
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1BND
 | | STRUCTURE OF THE BRAIN-DERIVED NEUROTROPHIC FACTOR(SLASH)NEUROTROPHIN 3 HETERODIMER | | Descriptor: | BRAIN DERIVED NEUROTROPHIC FACTOR, ISOPROPYL ALCOHOL, NEUROTROPHIN 3 | | Authors: | Robinson, R.C, Radziejewski, C, Stuart, D.I, Jones, E.Y. | | Deposit date: | 1994-12-12 | | Release date: | 1996-04-04 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structure of the brain-derived neurotrophic factor/neurotrophin 3 heterodimer.
Biochemistry, 34, 1995
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2HJS
 | | The structure of a probable aspartate-semialdehyde dehydrogenase from Pseudomonas aeruginosa | | Descriptor: | 1,4-DIETHYLENE DIOXIDE, USG-1 protein homolog | | Authors: | Cuff, M.E, Evdokimova, E, Kudritska, M, Edwards, A, Savchenko, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2006-06-30 | | Release date: | 2006-08-29 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | The structure of a probable aspartate-semialdehyde dehydrogenase from Pseudomonas aeruginosa
To be published
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1BNL
 | | ZINC DEPENDENT DIMERS OBSERVED IN CRYSTALS OF HUMAN ENDOSTATIN | | Descriptor: | COLLAGEN XVIII, ZINC ION | | Authors: | Ding, Y.-H, Javaherian, K, Lo, K.-M, Chopra, R, Boehm, T, Lanciotti, J, Harris, B.A, Li, Y, Shapiro, R, Hohenester, E, Timpl, R, Folkman, J, Wiley, D.C. | | Deposit date: | 1998-07-30 | | Release date: | 1998-10-14 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Zinc-dependent dimers observed in crystals of human endostatin.
Proc.Natl.Acad.Sci.USA, 95, 1998
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3EP5
 | | Human AdoMetDC E178Q mutant with no putrescine bound | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, PYRUVIC ACID, S-adenosylmethionine decarboxylase alpha chain, ... | | Authors: | Bale, S, Lopez, M.M, Makhatadze, G.I, Fang, Q, Pegg, A.E, Ealick, S.E. | | Deposit date: | 2008-09-29 | | Release date: | 2008-12-23 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | Structural Basis for Putrescine Activation of Human S-Adenosylmethionine Decarboxylase.
Biochemistry, 47, 2008
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2QLT
 | | Crystal structure of an isoform of DL-glycerol-3-phosphatase, Rhr2p, from Saccharomyces cerevisiae | | Descriptor: | (DL)-glycerol-3-phosphatase 1, 1,2-ETHANEDIOL, CALCIUM ION, ... | | Authors: | Tan, K, Evdokimova, E, Kudritska, M, Savchenko, A, Edwards, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2007-07-13 | | Release date: | 2007-08-07 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | The crystal structure of an isoform of DL-glycerol-3-phosphatase, Rhr2p from Saccharomyces cerevisiae.
To be Published
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3K1Z
 | | Crystal Structure of Human Haloacid Dehalogenase-like Hydrolase Domain containing 3 (HDHD3) | | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, Haloacid dehalogenase-like hydrolase domain-containing protein 3 | | Authors: | Ugochukwu, E, Guo, K, Yue, W.W, Pilka, E, Picaud, S, Muniz, J, Pike, A.C.W, Krojer, T, Gomes, M, von Delft, F, Bountra, C, Arrowsmith, C.H, Weigelt, J, Edwards, A, Kavanagh, K, Oppermann, U, Structural Genomics Consortium (SGC) | | Deposit date: | 2009-09-29 | | Release date: | 2009-11-03 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Crystal Structure of Human Haloacid Dehalogenase-like Hydrolase Domain containing 3 (HDHD3)
To be Published
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2OLK
 | | ABC Protein ArtP in complex with ADP-beta-S | | Descriptor: | 5'-O-[(R)-HYDROXY(THIOPHOSPHONOOXY)PHOSPHORYL]ADENOSINE, Amino acid ABC transporter | | Authors: | Thaben, P.F, Eckey, V, Scheffel, F, Saenger, W, Schneider, E, Vahedi-Faridi, A. | | Deposit date: | 2007-01-19 | | Release date: | 2008-01-15 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystal structures of the ATP-binding cassette (ABC) protein ArtP from Geobacillus stearothermophilus reveal a stable dimer in the post hydrolysis state and an asymmetry in the dimerization region
To be Published
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1K4E
 | | CRYSTAL STRUCTURE OF THE CLASS D BETA-LACTAMASES OXA-10 DETERMINED BY MAD PHASING WITH SELENOMETHIONINE | | Descriptor: | Beta-lactamase PSE-2, SULFATE ION | | Authors: | Kerff, F, Fonze, E, Bouillene, F, Frere, J.M, Charlier, P. | | Deposit date: | 2001-10-08 | | Release date: | 2001-10-31 | | Last modified: | 2022-12-21 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | STRUCTURE OF CLASS D BETA-LACTAMASE OXA-2
To be Published
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6AUM
 | | Crystal structure of human soluble epoxide hydrolase complexed with trans-4-[4-(3-trifluoromethoxyphenyl-l-ureido)-cyclohexyloxy]-benzoic acid. | | Descriptor: | 4-{[trans-4-({[4-(trifluoromethoxy)phenyl]carbamoyl}amino)cyclohexyl]oxy}benzoic acid, Bifunctional epoxide hydrolase 2, CHLORIDE ION, ... | | Authors: | Kodani, S.D, Bahkta, S, Hwang, S.H, Pakhomova, S, Newcomer, M.E, Morisseau, C, Hammock, B. | | Deposit date: | 2017-09-01 | | Release date: | 2018-02-07 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.95 Å) | | Cite: | Identification and optimization of soluble epoxide hydrolase inhibitors with dual potency towards fatty acid amide hydrolase.
Bioorg. Med. Chem. Lett., 28, 2018
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7L8I
 | | SARS-CoV-2 Main Protease (Mpro) in Complex with Rupintrivir (P21) | | Descriptor: | 3C-like proteinase, 4-{2-(4-FLUORO-BENZYL)-6-METHYL-5-[(5-METHYL-ISOXAZOLE-3-CARBONYL)-AMINO]-4-OXO-HEPTANOYLAMINO}-5-(2-OXO-PYRROLIDIN-3-YL)-PENTANOIC ACID ETHYL ESTER | | Authors: | Lockbaum, G.J, Henes, M, Lee, J.M, Timm, J, Nalivaika, E.A, Yilmaz, N.K, Thompson, P.R, Schiffer, C.A. | | Deposit date: | 2020-12-31 | | Release date: | 2021-09-22 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Pan-3C Protease Inhibitor Rupintrivir Binds SARS-CoV-2 Main Protease in a Unique Binding Mode.
Biochemistry, 60, 2021
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7LB5
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3EP6
 | | Human AdoMetDC D174N mutant complexed with S-Adenosylmethionine methyl ester and no putrescine bound | | Descriptor: | PYRUVIC ACID, S-ADENOSYLMETHIONINE METHYL ESTER, S-adenosylmethionine decarboxylase alpha chain, ... | | Authors: | Bale, S, Lopez, M.M, Makhatadze, G.I, Fang, Q, Pegg, A.E, Ealick, S.E. | | Deposit date: | 2008-09-29 | | Release date: | 2008-12-23 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structural Basis for Putrescine Activation of Human S-Adenosylmethionine Decarboxylase.
Biochemistry, 47, 2008
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