4G6P
 
 | | Minimal Hairpin Ribozyme in the Precatalytic State with A38P Variation | | Descriptor: | COBALT HEXAMMINE(III), Loop A Substrate strand, Loop A and Loop B Ribozyme strand, ... | | Authors: | Liberman, J.A, Jenkins, J.L, Krucinska, J, Wedekind, J.E. | | Deposit date: | 2012-07-19 | | Release date: | 2012-08-15 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.641 Å) | | Cite: | A Transition-State Interaction Shifts Nucleobase Ionization toward Neutrality To Facilitate Small Ribozyme Catalysis.
J.Am.Chem.Soc., 134, 2012
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4G6S
 | | Minimal Hairpin Ribozyme in the Transition State with A38P Variation | | Descriptor: | COBALT HEXAMMINE(III), Loop A Substrate strand, Loop A and Loop B Ribozyme strand, ... | | Authors: | Liberman, J.A, Jenkins, J.L, Krucinska, J, Wedekind, J.E. | | Deposit date: | 2012-07-19 | | Release date: | 2012-08-08 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.84 Å) | | Cite: | A Transition-State Interaction Shifts Nucleobase Ionization toward Neutrality To Facilitate Small Ribozyme Catalysis.
J.Am.Chem.Soc., 134, 2012
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3VYY
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1NH6
 | | Structure of S. marcescens chitinase A, E315L, complex with hexasaccharide | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, chitinase A | | Authors: | Aronson Jr, N.N, Halloran, B.A, Alexyev, M.F, Amable, L, Madura, J.D, Pasupulati, L, Worth, C, Van Roey, P. | | Deposit date: | 2002-12-18 | | Release date: | 2003-03-18 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Family 18 chitinase-oligosaccharide substrate interaction: subsite preference and anomer selectivity of Serratia marcescens chitinase A.
Biochem.J., 376, 2003
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3VHK
 | | Crystal structure of the VEGFR2 kinase domain in complex with a back pocket binder | | Descriptor: | 1,2-ETHANEDIOL, Vascular endothelial growth factor receptor 2, {3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl}methanol | | Authors: | Iwata, H, Oki, H, Okada, K, Takagi, T, Tawada, M, Miyazaki, Y, Imamura, S, Hori, A, Hixon, M.S, Kimura, H, Miki, H. | | Deposit date: | 2011-08-25 | | Release date: | 2012-09-05 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.49 Å) | | Cite: | A Back-to-Front Fragment-Based Drug Design Search Strategy Targeting the DFG-Out Pocket of Protein Tyrosine Kinases.
ACS MED.CHEM.LETT., 3, 2012
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3IID
 | | Crystal structure of the macro domain of human histone macroH2A1.1 in complex with ADP-ribose (form A) | | Descriptor: | ADENOSINE-5-DIPHOSPHORIBOSE, Core histone macro-H2A.1, Isoform 1, ... | | Authors: | Hothorn, M, Bortfeld, M, Ladurner, A.G, Scheffzek, K. | | Deposit date: | 2009-07-31 | | Release date: | 2009-08-18 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | A macrodomain-containing histone rearranges chromatin upon sensing PARP1 activation.
Nat.Struct.Mol.Biol., 16, 2009
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5OTJ
 | | Monomeric polcalcin (Phl p 7) in complex with two identical allergen-specific antibodies | | Descriptor: | 1,2-ETHANEDIOL, 102.1F10 Fab heavy chain, 102.1F10 Fab light chain, ... | | Authors: | Mitropoulou, A.N, Davies, A.M, Beavil, A.J, McDonnell, J.M, Sutton, B.J. | | Deposit date: | 2017-08-22 | | Release date: | 2018-09-05 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Structure of a patient-derived antibody in complex with allergen reveals simultaneous conventional and superantigen-like recognition.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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3VID
 | | Crystal structure of human VEGFR2 kinase domain with Compound A. | | Descriptor: | 4,5,6,11-tetrahydro-1H-pyrazolo[4',3':6,7]cyclohepta[1,2-b]indole, Vascular endothelial growth factor receptor 2 | | Authors: | Iwata, H, Oki, H, Okada, K, Takagi, T, Tawada, M, Miyazaki, Y, Imamura, S, Hori, A, Hixon, M.S, Kimura, H, Miki, H. | | Deposit date: | 2011-09-29 | | Release date: | 2012-08-15 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | A Back-to-Front Fragment-Based Drug Design Search Strategy Targeting the DFG-Out Pocket of Protein Tyrosine Kinases.
ACS MED.CHEM.LETT., 3, 2012
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4EUA
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1AV2
 | | Gramicidin A/CsCl complex, active as a dimer | | Descriptor: | CESIUM ION, CHLORIDE ION, GRAMICIDIN A, ... | | Authors: | Burkhart, B.M, Li, N, Langs, D.A, Duax, W.L. | | Deposit date: | 1997-09-23 | | Release date: | 1998-07-01 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | The Conducting Form of Gramicidin a is a Right-Handed Double-Stranded Double Helix.
Proc.Natl.Acad.Sci.USA, 95, 1998
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4E8F
 | | Structural Basis for the Activity of a Cytoplasmic RNA Terminal U-transferase | | Descriptor: | ACETATE ION, GLYCEROL, Poly(A) RNA polymerase protein cid1 | | Authors: | Yates, L.A, Fleurdepine, S, Rissland, O.S, DeColibus, L, Harlos, K, Norbury, C.J, Gilbert, R.J.C. | | Deposit date: | 2012-03-20 | | Release date: | 2012-07-04 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structural basis for the activity of a cytoplasmic RNA terminal uridylyl transferase.
Nat.Struct.Mol.Biol., 19, 2012
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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: | 2023-09-06 | | 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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4KTX
 | | Crystal structure of the catalytic domain of botulinum neurotoxin BoNT/A C134S mutant with covalent inhibitor that modifies Cys-165 causing disorder in 167-174 stretch | | Descriptor: | Botulinum neurotoxin A light chain, GLYCEROL, Peptide inhibitor MPT-DPP-ARG-G-LEU-NH2, ... | | Authors: | Stura, E.A, Vera, L, Guitot, K, Dive, V. | | Deposit date: | 2013-05-21 | | Release date: | 2014-10-15 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.59 Å) | | Cite: | Covalent modification of the active site cysteine stresses Clostridium botulinum neurotoxin A
To be Published
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4IAU
 | | Atomic resolution structure of Geodin, a beta-gamma crystallin from Geodia cydonium | | Descriptor: | Beta-gamma-crystallin, CALCIUM ION, GLYCEROL | | Authors: | Vergara, A, Grassi, M, Sica, F, Mazzarella, L, Merlino, A. | | Deposit date: | 2012-12-07 | | Release date: | 2013-06-05 | | Method: | X-RAY DIFFRACTION (0.99 Å) | | Cite: | A novel interdomain interface in crystallins: structural characterization of the [beta][gamma]-crystallin from Geodia cydonium at 0.99 A resolution
Acta Crystallogr.,Sect.D, 69, 2013
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4EU7
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4E7X
 | | Structural Basis for the Activity of a Cytoplasmic RNA Terminal U-transferase | | Descriptor: | ACETATE ION, Poly(A) RNA polymerase protein cid1 | | Authors: | Yates, L.A, Fleurdepine, S, Rissland, O.S, DeColibus, L, Harlos, K, Norbury, C.J, Gilbert, R.J.C. | | Deposit date: | 2012-03-19 | | Release date: | 2012-07-04 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Structural basis for the activity of a cytoplasmic RNA terminal uridylyl transferase.
Nat.Struct.Mol.Biol., 19, 2012
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4IJH
 | | Fragment-based Discovery of Protein-Protein Interaction Inhibitors of Replication Protein A | | Descriptor: | 3-chloro-6-[3-(4-fluorophenyl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]-1-benzothiophene-2-carboxylic acid, Replication protein A 70 kDa DNA-binding subunit | | Authors: | Feldkamp, M.D, Patrone, J.D, Kennedy, J.P, Frank, A.O, Vangamudi, B, Pelz, N.F, Rossanese, O.W, Waterson, A.G, Fesik, S.W, Chazin, W.J. | | Deposit date: | 2012-12-21 | | Release date: | 2013-08-14 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.498 Å) | | Cite: | Discovery of Protein-Protein Interaction Inhibitors of Replication Protein A.
ACS MED.CHEM.LETT., 4, 2013
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4LNS
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5O39
 | | Human Brd2(BD2) mutant in complex with ME | | Descriptor: | (2~{S})-1-[(2~{S})-2-oxidanylpropoxy]propan-2-ol, Bromodomain-containing protein 2, CHLORIDE ION, ... | | Authors: | Runcie, A.C, Chan, K.-H, Ciulli, A. | | Deposit date: | 2017-05-23 | | Release date: | 2018-02-14 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.74 Å) | | Cite: | Optimization of a "bump-and-hole" approach to allele-selective BET bromodomain inhibition.
Chem Sci, 9, 2018
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5O3F
 | | Human Brd2(BD2) mutant in complex with ET-Am1 | | Descriptor: | (2~{R})-2-[(4~{S})-6-(4-chlorophenyl)-8-methoxy-1-methyl-4~{H}-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]-~{N}-ethyl-butanamide, (2~{S})-1-[(2~{S})-2-oxidanylpropoxy]propan-2-ol, Bromodomain-containing protein 2, ... | | Authors: | Runcie, A.C, Chan, K.-H, Ciulli, A. | | Deposit date: | 2017-05-23 | | Release date: | 2018-02-14 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Optimization of a "bump-and-hole" approach to allele-selective BET bromodomain inhibition.
Chem Sci, 9, 2018
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4IRY
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3FGH
 | | Human mitochondrial transcription factor A box B | | Descriptor: | CADMIUM ION, CHLORIDE ION, SODIUM ION, ... | | Authors: | Gangelhoff, T.A, Mungalachetty, P, Nix, J, Churchill, M.E.A. | | Deposit date: | 2008-12-06 | | Release date: | 2009-04-07 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Structural analysis and DNA binding of the HMG domains of the human mitochondrial transcription factor A
Nucleic Acids Res., 37, 2009
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1XFD
 | | Structure of a human A-type Potassium Channel Accelerating factor DPPX, a member of the dipeptidyl aminopeptidase family | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Dipeptidyl aminopeptidase-like protein 6, alpha-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Strop, P, Bankovich, A.J, Hansen, K.C, Garcia, K.C, Brunger, A.T. | | Deposit date: | 2004-09-14 | | Release date: | 2004-10-26 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structure of a human A-type potassium channel interacting protein DPPX, a member of the dipeptidyl aminopeptidase family
J.Mol.Biol., 343, 2004
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4NM8
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4CP9
 | | Crystal structure OF lecA lectin complexed with a divalent galactoside at 1.65 angstrom | | Descriptor: | (4S)-N-ethyl-4-{[N-methyl-3-(1-{2-[(4-sulfanylbenzoyl)amino]ethyl}-1H-1,2,3-triazol-4-yl)-L-alanyl]amino}-L-prolinamide, 1,2-ETHANEDIOL, CALCIUM ION, ... | | Authors: | Topin, J, Varrot, A, Imberty, A, Wissinger, N. | | Deposit date: | 2014-02-04 | | Release date: | 2014-10-08 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | A Leca Ligand Identified from a Galactoside-Conjugate Array Inhibits Host Cell Invasion by Pseudomonas Aeruginosa.
Angew.Chem.Int.Ed.Engl., 53, 2014
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