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4G6P
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Minimal Hairpin Ribozyme in the Precatalytic State with A38P Variation
分子名称: COBALT HEXAMMINE(III), Loop A Substrate strand, Loop A and Loop B Ribozyme strand, ...
著者Liberman, J.A, Jenkins, J.L, Krucinska, J, Wedekind, J.E.
登録日2012-07-19
公開日2012-08-15
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.641 Å)
主引用文献A Transition-State Interaction Shifts Nucleobase Ionization toward Neutrality To Facilitate Small Ribozyme Catalysis.
J.Am.Chem.Soc., 134, 2012
4G6S
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Minimal Hairpin Ribozyme in the Transition State with A38P Variation
分子名称: COBALT HEXAMMINE(III), Loop A Substrate strand, Loop A and Loop B Ribozyme strand, ...
著者Liberman, J.A, Jenkins, J.L, Krucinska, J, Wedekind, J.E.
登録日2012-07-19
公開日2012-08-08
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.84 Å)
主引用文献A Transition-State Interaction Shifts Nucleobase Ionization toward Neutrality To Facilitate Small Ribozyme Catalysis.
J.Am.Chem.Soc., 134, 2012
3VYY
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BU of 3vyy by Molmil
Structural insights into RISC assembly facilitated by dsRNA binding domains of human RNA helicase A (DHX9)
分子名称: ATP-dependent RNA helicase A, RNA (5'-R(*GP*CP*GP*CP*GP*CP*GP*CP*GP*C)-3')
著者Yuan, Y.A, Fu, Q.
登録日2012-10-05
公開日2013-02-13
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structural insights into RISC assembly facilitated by dsRNA-binding domains of human RNA helicase A (DHX9).
Nucleic Acids Res., 41, 2013
1NH6
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Structure of S. marcescens chitinase A, E315L, complex with hexasaccharide
分子名称: 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
著者Aronson Jr, N.N, Halloran, B.A, Alexyev, M.F, Amable, L, Madura, J.D, Pasupulati, L, Worth, C, Van Roey, P.
登録日2002-12-18
公開日2003-03-18
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Family 18 chitinase-oligosaccharide substrate interaction: subsite preference and anomer selectivity of Serratia marcescens chitinase A.
Biochem.J., 376, 2003
3VHK
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Crystal structure of the VEGFR2 kinase domain in complex with a back pocket binder
分子名称: 1,2-ETHANEDIOL, Vascular endothelial growth factor receptor 2, {3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl}methanol
著者Iwata, H, Oki, H, Okada, K, Takagi, T, Tawada, M, Miyazaki, Y, Imamura, S, Hori, A, Hixon, M.S, Kimura, H, Miki, H.
登録日2011-08-25
公開日2012-09-05
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.49 Å)
主引用文献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
3IID
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BU of 3iid by Molmil
Crystal structure of the macro domain of human histone macroH2A1.1 in complex with ADP-ribose (form A)
分子名称: ADENOSINE-5-DIPHOSPHORIBOSE, Core histone macro-H2A.1, Isoform 1, ...
著者Hothorn, M, Bortfeld, M, Ladurner, A.G, Scheffzek, K.
登録日2009-07-31
公開日2009-08-18
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献A macrodomain-containing histone rearranges chromatin upon sensing PARP1 activation.
Nat.Struct.Mol.Biol., 16, 2009
5OTJ
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BU of 5otj by Molmil
Monomeric polcalcin (Phl p 7) in complex with two identical allergen-specific antibodies
分子名称: 1,2-ETHANEDIOL, 102.1F10 Fab heavy chain, 102.1F10 Fab light chain, ...
著者Mitropoulou, A.N, Davies, A.M, Beavil, A.J, McDonnell, J.M, Sutton, B.J.
登録日2017-08-22
公開日2018-09-05
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献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
3VID
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BU of 3vid by Molmil
Crystal structure of human VEGFR2 kinase domain with Compound A.
分子名称: 4,5,6,11-tetrahydro-1H-pyrazolo[4',3':6,7]cyclohepta[1,2-b]indole, Vascular endothelial growth factor receptor 2
著者Iwata, H, Oki, H, Okada, K, Takagi, T, Tawada, M, Miyazaki, Y, Imamura, S, Hori, A, Hixon, M.S, Kimura, H, Miki, H.
登録日2011-09-29
公開日2012-08-15
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献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
4EUA
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BU of 4eua by Molmil
Succinyl-CoA:acetate CoA-transferase (AarCH6-R228E) in complex with CoA (anomalous dataset)
分子名称: CHLORIDE ION, COENZYME A, Succinyl-CoA:acetate coenzyme A transferase
著者Mullins, E.A, Kappock, T.J.
登録日2012-04-25
公開日2012-10-10
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.398 Å)
主引用文献Crystal Structures of Acetobacter aceti Succinyl-Coenzyme A (CoA):Acetate CoA-Transferase Reveal Specificity Determinants and Illustrate the Mechanism Used by Class I CoA-Transferases.
Biochemistry, 51, 2012
1AV2
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BU of 1av2 by Molmil
Gramicidin A/CsCl complex, active as a dimer
分子名称: CESIUM ION, CHLORIDE ION, GRAMICIDIN A, ...
著者Burkhart, B.M, Li, N, Langs, D.A, Duax, W.L.
登録日1997-09-23
公開日1998-07-01
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献The Conducting Form of Gramicidin a is a Right-Handed Double-Stranded Double Helix.
Proc.Natl.Acad.Sci.USA, 95, 1998
4E8F
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BU of 4e8f by Molmil
Structural Basis for the Activity of a Cytoplasmic RNA Terminal U-transferase
分子名称: ACETATE ION, GLYCEROL, Poly(A) RNA polymerase protein cid1
著者Yates, L.A, Fleurdepine, S, Rissland, O.S, DeColibus, L, Harlos, K, Norbury, C.J, Gilbert, R.J.C.
登録日2012-03-20
公開日2012-07-04
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural basis for the activity of a cytoplasmic RNA terminal uridylyl transferase.
Nat.Struct.Mol.Biol., 19, 2012
3NOX
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BU of 3nox by Molmil
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
分子名称: 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, ...
著者Klei, H.E.
登録日2010-06-25
公開日2010-08-11
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.338 Å)
主引用文献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
4KTX
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BU of 4ktx by Molmil
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
分子名称: Botulinum neurotoxin A light chain, GLYCEROL, Peptide inhibitor MPT-DPP-ARG-G-LEU-NH2, ...
著者Stura, E.A, Vera, L, Guitot, K, Dive, V.
登録日2013-05-21
公開日2014-10-15
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.59 Å)
主引用文献Covalent modification of the active site cysteine stresses Clostridium botulinum neurotoxin A
To be Published
4IAU
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Atomic resolution structure of Geodin, a beta-gamma crystallin from Geodia cydonium
分子名称: Beta-gamma-crystallin, CALCIUM ION, GLYCEROL
著者Vergara, A, Grassi, M, Sica, F, Mazzarella, L, Merlino, A.
登録日2012-12-07
公開日2013-06-05
実験手法X-RAY DIFFRACTION (0.99 Å)
主引用文献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
4EU7
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BU of 4eu7 by Molmil
Succinyl-CoA:acetate CoA-transferase (AarCH6) in complex with CoA and citrate
分子名称: CHLORIDE ION, CITRIC ACID, COENZYME A, ...
著者Mullins, E.A, Kappock, T.J.
登録日2012-04-25
公開日2012-10-10
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal Structures of Acetobacter aceti Succinyl-Coenzyme A (CoA):Acetate CoA-Transferase Reveal Specificity Determinants and Illustrate the Mechanism Used by Class I CoA-Transferases.
Biochemistry, 51, 2012
4E7X
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Structural Basis for the Activity of a Cytoplasmic RNA Terminal U-transferase
分子名称: ACETATE ION, Poly(A) RNA polymerase protein cid1
著者Yates, L.A, Fleurdepine, S, Rissland, O.S, DeColibus, L, Harlos, K, Norbury, C.J, Gilbert, R.J.C.
登録日2012-03-19
公開日2012-07-04
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Structural basis for the activity of a cytoplasmic RNA terminal uridylyl transferase.
Nat.Struct.Mol.Biol., 19, 2012
4IJH
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BU of 4ijh by Molmil
Fragment-based Discovery of Protein-Protein Interaction Inhibitors of Replication Protein A
分子名称: 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
著者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.
登録日2012-12-21
公開日2013-08-14
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.498 Å)
主引用文献Discovery of Protein-Protein Interaction Inhibitors of Replication Protein A.
ACS MED.CHEM.LETT., 4, 2013
4LNS
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BU of 4lns by Molmil
Crystal structure of Asparagine synthetase A (AsnA) from Trypanosoma brucei
分子名称: Asparagine synthetase a
著者Khan, S, Madhubala, R, Sharma, A.
登録日2013-07-12
公開日2014-03-19
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Identification and functional characterization of a novel bacterial type asparagine synthetase A: a tRNA synthetase paralog from Leishmania donovani.
J.Biol.Chem., 289, 2014
5O39
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Human Brd2(BD2) mutant in complex with ME
分子名称: (2~{S})-1-[(2~{S})-2-oxidanylpropoxy]propan-2-ol, Bromodomain-containing protein 2, CHLORIDE ION, ...
著者Runcie, A.C, Chan, K.-H, Ciulli, A.
登録日2017-05-23
公開日2018-02-14
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献Optimization of a "bump-and-hole" approach to allele-selective BET bromodomain inhibition.
Chem Sci, 9, 2018
5O3F
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Human Brd2(BD2) mutant in complex with ET-Am1
分子名称: (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, ...
著者Runcie, A.C, Chan, K.-H, Ciulli, A.
登録日2017-05-23
公開日2018-02-14
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Optimization of a "bump-and-hole" approach to allele-selective BET bromodomain inhibition.
Chem Sci, 9, 2018
4IRY
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BU of 4iry by Molmil
Influenza A virus tail-loop free nucleoprotein at 2.8 A resolution
分子名称: Nucleocapsid protein
著者Ye, Q, Mata, D.A, Tao, Y.J.
登録日2013-01-15
公開日2013-02-13
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Biochemical and structural evidence in support of a coherent model for the formation of the double-helical influenza a virus ribonucleoprotein.
MBio, 4, 2012
3FGH
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BU of 3fgh by Molmil
Human mitochondrial transcription factor A box B
分子名称: CADMIUM ION, CHLORIDE ION, SODIUM ION, ...
著者Gangelhoff, T.A, Mungalachetty, P, Nix, J, Churchill, M.E.A.
登録日2008-12-06
公開日2009-04-07
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Structural analysis and DNA binding of the HMG domains of the human mitochondrial transcription factor A
Nucleic Acids Res., 37, 2009
1XFD
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BU of 1xfd by Molmil
Structure of a human A-type Potassium Channel Accelerating factor DPPX, a member of the dipeptidyl aminopeptidase family
分子名称: 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, ...
著者Strop, P, Bankovich, A.J, Hansen, K.C, Garcia, K.C, Brunger, A.T.
登録日2004-09-14
公開日2004-10-26
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structure of a human A-type potassium channel interacting protein DPPX, a member of the dipeptidyl aminopeptidase family
J.Mol.Biol., 343, 2004
4NM8
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Crystal structure of broadly neutralizing antibody CR8043 bound to H3 influenza hemagglutinin
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Antibody CR8043, ...
著者Lee, P.S, Wilson, I.A.
登録日2013-11-14
公開日2013-12-25
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (4.0041 Å)
主引用文献A common solution to group 2 influenza virus neutralization.
Proc.Natl.Acad.Sci.USA, 111, 2014
4CP9
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Crystal structure OF lecA lectin complexed with a divalent galactoside at 1.65 angstrom
分子名称: (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, ...
著者Topin, J, Varrot, A, Imberty, A, Wissinger, N.
登録日2014-02-04
公開日2014-10-08
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献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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