5E2K
 
 | | Crystal structure of human carbonic anhydrase II in complex with the 4-(3-aminophenyl)benzenesulfonamide inhibitor | | Descriptor: | 3'-aminobiphenyl-4-sulfonamide, Carbonic anhydrase 2, GLYCEROL, ... | | Authors: | Ferraroni, M, Supuran, C.T. | | Deposit date: | 2015-10-01 | | Release date: | 2016-01-20 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | 4-Arylbenzenesulfonamides as Human Carbonic Anhydrase Inhibitors (hCAIs): Synthesis by Pd Nanocatalyst-Mediated Suzuki-Miyaura Reaction, Enzyme Inhibition, and X-ray Crystallographic Studies.
J.Med.Chem., 59, 2016
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4FCQ
 | | Targeting conserved water molecules: Design of 4-aryl-5-cyanopyrrolo[2,3-d]pyrimidine Hsp90 inhibitors using fragment-based screening and structure-based optimization | | Descriptor: | 4-(2,4-dimethylphenyl)-2-(methylsulfanyl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile, Heat shock protein HSP 90-alpha | | Authors: | Davies, N.G, Browne, H, Davis, B, Foloppe, N, Geoffrey, S, Gibbons, B, Hart, T, Drysdale, M.J, Mansell, H, Massey, A, Matassova, N, Moore, J.D, Murray, J, Pratt, R, Ray, S, Roughley, S.D, Jensen, M.R, Schoepfer, J, Scriven, K, Simmonite, H, Stokes, S, Surgenor, A, Webb, P, Wright, L, Brough, P. | | Deposit date: | 2012-05-25 | | Release date: | 2012-10-24 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.151 Å) | | Cite: | Targeting conserved water molecules: Design of 4-aryl-5-cyanopyrrolo[2,3-d]pyrimidine Hsp90 inhibitors using fragment-based screening and structure-based optimization.
Bioorg.Med.Chem., 20, 2012
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3WMG
 | | Crystal structure of an inward-facing eukaryotic ABC multidrug transporter G277V/A278V/A279V mutant in complex with an cyclic peptide inhibitor, aCAP | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ATP-binding cassette, sub-family B, ... | | Authors: | Kodan, A, Yamaguchi, T, Nakatsu, T, Sakiyama, K, Hipolito, C.J, Fujioka, A, Hirokane, R, Ikeguchi, K, Watanabe, B, Hirtake, J, Kimura, Y, Suga, H, Ueda, K, Kato, H. | | Deposit date: | 2013-11-18 | | Release date: | 2014-04-30 | | Last modified: | 2017-11-22 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural basis for gating mechanisms of a eukaryotic P-glycoprotein homolog.
Proc.Natl.Acad.Sci.USA, 111, 2014
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5C9H
 | | Structural Basis of Template Boundary Definition in Tetrahymena Telomerase | | Descriptor: | MAGNESIUM ION, RNA (5'-R(P*AP*GP*AP*AP*CP*UP*GP*UP*CP*A)-3'), RNA (5'-R(P*UP*CP*AP*UP*UP*CP*AP*GP*UP*UP*CP*U)-3'), ... | | Authors: | Jansson, L.I, Akiyama, B.M, Ooms, A, Lu, C, Rubin, S.M, Stone, M.D. | | Deposit date: | 2015-06-26 | | Release date: | 2015-10-14 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structural basis of template-boundary definition in Tetrahymena telomerase.
Nat.Struct.Mol.Biol., 22, 2015
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1VPU
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6ACR
 | | Crystal structure of human ALK2 kinase domain with R206H mutation in complex with RK-59638 | | Descriptor: | Activin receptor type-1, N-(4-methoxyphenyl)-4-[3-(pyridin-3-yl)-1H-pyrazol-4-yl]pyrimidin-2-amine, SULFATE ION | | Authors: | Sakai, N, Mishima-Tsumagari, C, Matsumoto, T, Shirouzu, M. | | Deposit date: | 2018-07-27 | | Release date: | 2019-03-20 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | Bis-Heteroaryl Pyrazoles: Identification of Orally Bioavailable Inhibitors of Activin Receptor-Like Kinase-2 (R206H).
Chem. Pharm. Bull., 67, 2019
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7JQD
 | | Crystal Structure of PAC1r in complex with peptide antagonist | | Descriptor: | Peptide-43, Pituitary adenylate cyclase-activating polypeptide type I receptor | | Authors: | Piper, D.E, Hu, E, Fang-Tsao, H. | | Deposit date: | 2020-08-10 | | Release date: | 2021-03-24 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Discovery of Selective Pituitary Adenylate Cyclase 1 Receptor (PAC1R) Antagonist Peptides Potent in a Maxadilan/PACAP38-Induced Increase in Blood Flow Pharmacodynamic Model.
J.Med.Chem., 64, 2021
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4JW2
 | | Selection of specific protein binders for pre-defined targets from an optimized library of artificial helicoidal repeat proteins (alphaRep) | | Descriptor: | 1,2-ETHANEDIOL, A3 artificial protein, bA3-2: binder of A3 protein | | Authors: | Guellouz, A, Valerio-Lepiniec, M, Urvoas, A, Chevrel, A, Graille, M, Fourati-Kammoun, Z, Desmadril, M, van Tilbeurgh, H, Minard, P. | | Deposit date: | 2013-03-27 | | Release date: | 2013-09-25 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Selection of Specific Protein Binders for Pre-Defined Targets from an Optimized Library of Artificial Helicoidal Repeat Proteins (alphaRep).
Plos One, 8, 2013
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3HO0
 | | Crystal structure of the PPARgamma-LBD complexed with a new aryloxy-3phenylpropanoic acid | | Descriptor: | (2S)-2-(4-phenethylphenoxy)-3-phenyl-propanoic acid, Peroxisome proliferator-activated receptor gamma | | Authors: | Pochetti, G, Montanari, R, Mazza, F, Loiodice, F, Fracchiolla, G, Laghezza, A, Lavecchia, A, Novellino, E. | | Deposit date: | 2009-06-01 | | Release date: | 2009-10-27 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | New 2-Aryloxy-3-phenyl-propanoic Acids As Peroxisome Proliferator-Activated Receptors alpha/gamma Dual Agonists with Improved Potency and Reduced Adverse Effects on Skeletal Muscle Function
J.Med.Chem., 52, 2009
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3HOD
 | | Crystal structure of the PPARgamma-LBD complexed with a new aryloxy-3phenylpropanoic acid | | Descriptor: | (2S)-2-(4-benzylphenoxy)-3-phenylpropanoic acid, Peroxisome proliferator-activated receptor gamma | | Authors: | Pochetti, G, Montanari, R, Mazza, F, Loiodice, F, Fracchiolla, G, Laghezza, A, Lavecchia, A, Novellino, E. | | Deposit date: | 2009-06-02 | | Release date: | 2009-10-27 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | New 2-Aryloxy-3-phenyl-propanoic Acids As Peroxisome Proliferator-Activated Receptors alpha/gamma Dual Agonists with Improved Potency and Reduced Adverse Effects on Skeletal Muscle Function
J.Med.Chem., 52, 2009
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5CTS
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4JW3
 | | Selection of specific protein binders for pre-defined targets from an optimized library of artificial helicoidal repeat proteins (alphaRep) | | Descriptor: | Alpha-helical artificial proteins, Neocarzinostatin | | Authors: | Guellouz, A, Valerio-Lepiniec, M, Urvoas, A, Chevrel, A, Graille, M, Fourati-Kammoun, Z, Desmadril, M, van Tilbeurgh, H, Minard, P. | | Deposit date: | 2013-03-27 | | Release date: | 2013-09-25 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Selection of Specific Protein Binders for Pre-Defined Targets from an Optimized Library of Artificial Helicoidal Repeat Proteins (alphaRep).
Plos One, 8, 2013
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8BJY
 | | Engineered Fructosyl Peptide Oxidase - X02B mutant | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, Fructosyl Peptide Oxidase mutant (X02B), GLYCEROL | | Authors: | Estiri, H, Bhattacharya, S, Rodriguez-Buitrago, J.A, Parisini, E. | | Deposit date: | 2022-11-08 | | Release date: | 2023-11-22 | | Last modified: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (1.475 Å) | | Cite: | Tailoring FPOX enzymes for enhanced stability and expanded substrate recognition.
Sci Rep, 13, 2023
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8BLX
 | | Engineered Fructosyl Peptide Oxidase - X02A mutant | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, FLAVIN-ADENINE DINUCLEOTIDE, Fructosyl Peptide Oxidase mutant (X02A), ... | | Authors: | Estiri, H, Bhattacharya, S, Rodriguez-Buitrago, J.A, Parisini, E. | | Deposit date: | 2022-11-10 | | Release date: | 2023-11-22 | | Last modified: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (1.71 Å) | | Cite: | Tailoring FPOX enzymes for enhanced stability and expanded substrate recognition.
Sci Rep, 13, 2023
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8BMU
 | | Engineered Fructosyl Peptide Oxidase - X04 mutant | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, FLAVIN-ADENINE DINUCLEOTIDE, Fructosyl Peptide Oxidase mutant (X04), ... | | Authors: | Estiri, H, Bhattacharya, S, Rodriguez-Buitrago, J.A, Parisini, E. | | Deposit date: | 2022-11-11 | | Release date: | 2023-11-22 | | Last modified: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Tailoring FPOX enzymes for enhanced stability and expanded substrate recognition.
Sci Rep, 13, 2023
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8BLZ
 | | Engineered Fructosyl Peptide Oxidase - D02 mutant | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, Fructosyl Peptide Oxidase mutant (D02), GLYCEROL, ... | | Authors: | Estiri, H, Bhattacharya, S, Rodriguez-Buitrago, J.A, Parisini, E. | | Deposit date: | 2022-11-10 | | Release date: | 2023-11-22 | | Last modified: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Tailoring FPOX enzymes for enhanced stability and expanded substrate recognition.
Sci Rep, 13, 2023
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4ZV5
 | | Crystal structure of N-myristoylated mouse mammary tumor virus matrix protein | | Descriptor: | MYRISTIC ACID, Matrix protein p10 | | Authors: | Zabransky, A, Dolezal, M, Dostal, J, Vanek, O, Hadravova, R, Stokrova, J, Brynda, J, Pichova, I. | | Deposit date: | 2015-05-18 | | Release date: | 2016-01-27 | | Method: | X-RAY DIFFRACTION (1.57 Å) | | Cite: | Myristoylation drives dimerization of matrix protein from mouse mammary tumor virus.
Retrovirology, 13, 2016
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3RCE
 | | Bacterial oligosaccharyltransferase PglB | | Descriptor: | MAGNESIUM ION, Oligosaccharide transferase to N-glycosylate proteins, Substrate Mimic Peptide | | Authors: | Lizak, C, Gerber, S, Numao, S, Aebi, M, Locher, K.P. | | Deposit date: | 2011-03-31 | | Release date: | 2011-06-15 | | Last modified: | 2017-11-08 | | Method: | X-RAY DIFFRACTION (3.4 Å) | | Cite: | X-ray structure of a bacterial oligosaccharyltransferase.
Nature, 474, 2011
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4ZYK
 | | Crystal Structure of Quaternary-Specific RSV-Neutralizing Human Antibody AM14 | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, AM14 Fab heavy chain, ... | | Authors: | Gilman, M.S.A, McLellan, J.S. | | Deposit date: | 2015-05-21 | | Release date: | 2015-07-29 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Characterization of a Prefusion-Specific Antibody That Recognizes a Quaternary, Cleavage-Dependent Epitope on the RSV Fusion Glycoprotein.
Plos Pathog., 11, 2015
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5A6H
 | | Synthesis, carbonic anhydrase inhibition and protein X-ray structure of the unusual natural product primary sulfonamide Psammaplin C | | Descriptor: | CARBONIC ANHYDRASE 2, DIMETHYL SULFOXIDE, PSAMMAPLIN C, ... | | Authors: | Mujumdar, P, Supuran, C.T, Peat, T.S, Poulsen, S. | | Deposit date: | 2015-06-26 | | Release date: | 2016-05-25 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.57 Å) | | Cite: | An Unusual Natural Product Primary Sulfonamide: Synthesis, Carbonic Anhydrase Inhibition and Protein X-Ray Structures of Psammaplin C.
J.Med.Chem., 59, 2016
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4ZYP
 | | Crystal Structure of Motavizumab and Quaternary-Specific RSV-Neutralizing Human Antibody AM14 in Complex with Prefusion RSV F Glycoprotein | | Descriptor: | AM14 antibody Fab heavy chain, AM14 antibody light chain, Fusion glycoprotein F0,Fibritin, ... | | Authors: | Gilman, M.S.A, McLellan, J.S. | | Deposit date: | 2015-05-21 | | Release date: | 2015-07-29 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (5.5 Å) | | Cite: | Characterization of a Prefusion-Specific Antibody That Recognizes a Quaternary, Cleavage-Dependent Epitope on the RSV Fusion Glycoprotein.
Plos Pathog., 11, 2015
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1JCF
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1I00
 | | CRYSTAL STRUCTURE OF HUMAN THYMIDYLATE SYNTHASE, TERNARY COMPLEX WITH DUMP AND TOMUDEX | | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, THYMIDYLATE SYNTHASE, TOMUDEX | | Authors: | Almog, R.A, Waddling, C.A, Maley, F, Maley, G.F, Van Roey, P. | | Deposit date: | 2001-01-27 | | Release date: | 2001-05-09 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal structure of a deletion mutant of human thymidylate synthase Delta (7-29) and its ternary complex with Tomudex and dUMP.
Protein Sci., 10, 2001
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1JCE
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1JCG
 | | MREB FROM THERMOTOGA MARITIMA, AMPPNP | | Descriptor: | MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ROD SHAPE-DETERMINING PROTEIN MREB | | Authors: | van den Ent, F, Amos, L.A, Lowe, J. | | Deposit date: | 2001-06-09 | | Release date: | 2001-09-19 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Prokaryotic origin of the actin cytoskeleton.
Nature, 413, 2001
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