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1CRA
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BU of 1cra by Molmil
THE COMPLEX BETWEEN HUMAN CARBONIC ANHYDRASE II AND THE AROMATIC INHIBITOR 1,2,4-TRIAZOLE
分子名称: 1,2,4-TRIAZOLE, CARBONIC ANHYDRASE II, MERCURY (II) ION, ...
著者Mangani, S, Liljas, A.
登録日1992-10-21
公開日1994-01-31
最終更新日2017-11-29
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structure of the complex between human carbonic anhydrase II and the aromatic inhibitor 1,2,4-triazole.
J.Mol.Biol., 232, 1993
5MDU
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BU of 5mdu by Molmil
Structure of the RNA recognition motif (RRM) of Seb1 from S. pombe.
分子名称: CHLORIDE ION, GLYCEROL, Rpb7-binding protein seb1, ...
著者Wittmann, S, Renner, M, El Omari, K, Adams, O, Vasiljeva, L, Grimes, J.
登録日2016-11-13
公開日2017-04-12
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.02 Å)
主引用文献The conserved protein Seb1 drives transcription termination by binding RNA polymerase II and nascent RNA.
Nat Commun, 8, 2017
3EYD
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BU of 3eyd by Molmil
Structure of HCV NS3-4A Protease with an Inhibitor Derived from a Boronic Acid
分子名称: HCV NS3, HCV NS4a peptide, ZINC ION, ...
著者Venkatraman, S, Wu, W, Prongay, A.J, Girijavallabhan, V, Njoroge, F.G.
登録日2008-10-20
公開日2009-02-10
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Potent inhibitors of HCV-NS3 protease derived from boronic acids.
Bioorg.Med.Chem.Lett., 19, 2009
5UJ0
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BU of 5uj0 by Molmil
Structure of T4Pnkp 3' phosphatase covalently bound to BeF3
分子名称: GLYCEROL, MAGNESIUM ION, Polynucleotide kinase
著者Shuman, S, Chatterjee, D.
登録日2017-01-16
公開日2017-02-08
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Truncated T4Pnk covalently bound to BeF3
To Be Published
9BHS
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BU of 9bhs by Molmil
Crystal structure of the WDR domain of human DCAF1 in complex with OICR-9939 compound
分子名称: (4P)-N-[(1S)-3-amino-1-(3-chloro-4-fluorophenyl)-3-oxopropyl]-4-(4-chloro-2-fluorophenyl)-5-(1-methyl-1H-pyrazol-4-yl)-1H-pyrrole-3-carboxamide, DDB1- and CUL4-associated factor 1, UNKNOWN LIGAND
著者kimani, S, Dong, A, Li, Y, Seitova, A, Al-Awar, R, Wilson, B, Ackloo, S, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC)
登録日2024-04-21
公開日2024-05-01
実験手法X-RAY DIFFRACTION (1.43 Å)
主引用文献Crystal structure of the WDR domain of human DCAF1 in complex with OICR-9939 compound
To be published
9BHR
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BU of 9bhr by Molmil
Crystal structure of the WDR domain of human DCAF1 in complex with OICR-40155 compound
分子名称: (4P)-N-[(1S)-3-amino-1-(3-chloro-4-fluorophenyl)-3-oxopropyl]-4-(4-chloro-2-fluorophenyl)-5-{(1E)-3-[(2-methoxyethyl)amino]-3-oxoprop-1-en-1-yl}-1H-pyrrole-3-carboxamide, DDB1- and CUL4-associated factor 1
著者kimani, S, Dong, A, Li, Y, Seitova, A, Al-Awar, R, Krausser, C, Wilson, B, Ackloo, S, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC)
登録日2024-04-21
公開日2024-05-08
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献Crystal structure of the WDR domain of human DCAF1 in complex with OICR-40155 compound
To be published
4XCL
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BU of 4xcl by Molmil
N-terminal domain of Hsp90 from Dictyostelium discoideum in complex with AGS
分子名称: Heat shock cognate 90 kDa protein, MAGNESIUM ION, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER
著者Raman, S, Suguna, K.
登録日2014-12-18
公開日2015-12-09
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.21 Å)
主引用文献First Structural View of a Peptide Interacting with the Nucleotide Binding Domain of Heat Shock Protein 90
Sci Rep, 5, 2015
4XC0
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BU of 4xc0 by Molmil
N-terminal domain of Hsp90 from Dictyostelium discoideum in complex with ACP
分子名称: DI(HYDROXYETHYL)ETHER, Heat shock cognate 90 kDa protein, MAGNESIUM ION, ...
著者Raman, S, Suguna, K.
登録日2014-12-17
公開日2015-12-09
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献First Structural View of a Peptide Interacting with the Nucleotide Binding Domain of Heat Shock Protein 90
Sci Rep, 5, 2015
6ZGQ
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BU of 6zgq by Molmil
AceL NrdHF class 3 split intein GSH linked splice inactive variant - C124A, N146A
分子名称: AceL NrdHF-1-1 Intein, IODIDE ION
著者Hoffmann, S, Mootz, H.D, Kuemmel, D, Singh, R.
登録日2020-06-19
公開日2020-09-16
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Biochemical and Structural Characterization of an Unusual and Naturally Split Class 3 Intein.
Chembiochem, 22, 2021
4Y83
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BU of 4y83 by Molmil
Crystal structure of COT kinase domain in complex with 5-(2-amino-5-(quinolin-3-yl)pyridin-3-yl)-1,3,4-oxadiazole-2(3H)-thione
分子名称: 5-[2-amino-5-(quinolin-3-yl)pyridin-3-yl]-1,3,4-oxadiazole-2(3H)-thione, Mitogen-activated protein kinase kinase kinase 8
著者Gutmann, S, Hinniger, A.
登録日2015-02-16
公開日2015-05-06
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.89 Å)
主引用文献The Crystal Structure of Cancer Osaka Thyroid Kinase Reveals an Unexpected Kinase Domain Fold.
J.Biol.Chem., 290, 2015
4Y85
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BU of 4y85 by Molmil
Crystal structure of COT kinase domain in complex with 5-(5-(1H-indol-3-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3,4-oxadiazol-2-amine
分子名称: 5-[5-(1H-indol-3-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3,4-oxadiazol-2-amine, Mitogen-activated protein kinase kinase kinase 8
著者Gutmann, S, Hinniger, A.
登録日2015-02-16
公開日2015-05-06
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.33 Å)
主引用文献The Crystal Structure of Cancer Osaka Thyroid Kinase Reveals an Unexpected Kinase Domain Fold.
J.Biol.Chem., 290, 2015
248D
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BU of 248d by Molmil
CRYSTAL STRUCTURES OF AN A-FORM DUPLEX WITH SINGLE-ADENOSINE BULGES AND A CONFORMATIONAL BASIS FOR SITE SPECIFIC RNA SELF-CLEAVAGE
分子名称: DNA/RNA (5'-R(*GP*CP*GP*)-D(*AP*TP*AP*TP*AP*)-R(*CP*GP*C)-3'), ORTHORHOMBIC, SPERMINE
著者Portmann, S, Grimm, S, Workman, C, Usman, N, Egli, M.
登録日1996-02-02
公開日1996-03-08
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Crystal structures of an A-form duplex with single-adenosine bulges and a conformational basis for site-specific RNA self-cleavage.
Chem.Biol., 3, 1996
1Z3C
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BU of 1z3c by Molmil
Encephalitozooan cuniculi mRNA Cap (Guanine-N7) Methyltransferasein complexed with AzoAdoMet
分子名称: S-5'-AZAMETHIONINE-5'-DEOXYADENOSINE, mRNA CAPPING ENZYME
著者Hausmann, S, Zhang, S, Fabrega, C, Schneller, S.W, Lima, C.D, Shuman, S.
登録日2005-03-11
公開日2005-03-22
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Encephalitozoon cuniculi mRNA cap (guanine N-7) methyltransferase: methyl acceptor specificity, inhibition BY S-adenosylmethionine analogs, and structure-guided mutational analysis.
J.Biol.Chem., 280, 2005
1CAO
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BU of 1cao by Molmil
CRYSTALLOGRAPHIC STUDIES OF THE BINDING OF PROTONATED AND UNPROTONATED INHIBITORS TO CARBONIC ANHYDRASE USING HYDROGEN SULPHIDE AND NITRATE ANIONS
分子名称: CARBONIC ANHYDRASE II, HYDROSULFURIC ACID, ZINC ION
著者Mangani, S, Hakansson, K.
登録日1992-07-02
公開日1994-01-31
最終更新日2017-11-29
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystallographic studies of the binding of protonated and unprotonated inhibitors to carbonic anhydrase using hydrogen sulphide and nitrate anions.
Eur.J.Biochem., 210, 1992
1CAN
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BU of 1can by Molmil
CRYSTALLOGRAPHIC STUDIES OF THE BINDING OF PROTONATED AND UNPROTONATED INHIBITORS TO CARBONIC ANHYDRASE USING HYDROGEN SULPHIDE AND NITRATE ANIONS
分子名称: CARBONIC ANHYDRASE II, MERCURY (II) ION, NITRATE ION
著者Mangani, S, Hakansson, K.
登録日1992-07-02
公開日1994-01-31
最終更新日2017-11-29
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystallographic studies of the binding of protonated and unprotonated inhibitors to carbonic anhydrase using hydrogen sulphide and nitrate anions.
Eur.J.Biochem., 210, 1992
1CBX
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BU of 1cbx by Molmil
CRYSTAL STRUCTURE OF THE COMPLEX BETWEEN CARBOXYPEPTIDASE A AND THE BIPRODUCT ANALOG INHIBITOR L-BENZYLSUCCINATE AT 2.0 ANGSTROMS RESOLUTION
分子名称: CARBOXYPEPTIDASE A, L-BENZYLSUCCINIC ACID, ZINC ION
著者Mangani, S, Carloni, P, Orioli, P.
登録日1991-10-31
公開日1994-01-31
最終更新日2017-11-29
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of the complex between carboxypeptidase A and the biproduct analog inhibitor L-benzylsuccinate at 2.0 A resolution.
J.Mol.Biol., 223, 1992
247D
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BU of 247d by Molmil
CRYSTAL STRUCTURES OF AN A-FORM DUPLEX WITH SINGLE-ADENOSINE BULGES AND A CONFORMATIONAL BASIS FOR SITE SPECIFIC RNA SELF-CLEAVAGE
分子名称: DNA/RNA (5'-R(*GP*CP*GP*)-D(*AP*TP*AP*TP*AP*)-R(*CP*GP*C)-3')
著者Portmann, S, Grimm, S, Workman, C, Usman, N, Egli, M.
登録日1996-02-02
公開日1996-03-08
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Crystal structures of an A-form duplex with single-adenosine bulges and a conformational basis for site-specific RNA self-cleavage.
Chem.Biol., 3, 1996
3RVD
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BU of 3rvd by Molmil
Crystal structure of the binary complex, obtained by soaking, of photosyntetic a4 glyceraldehyde 3-phosphate dehydrogenase (gapdh) with cp12-2, both from arabidopsis thaliana.
分子名称: Glyceraldehyde-3-phosphate dehydrogenase A, chloroplastic, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
著者Fermani, S, Thumiger, A, Falini, G, Marri, L, Sparla, F, Trost, P.
登録日2011-05-06
公開日2012-04-25
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Conformational Selection and Folding-upon-binding of Intrinsically Disordered Protein CP12 Regulate Photosynthetic Enzymes Assembly.
J.Biol.Chem., 287, 2012
1Z0H
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BU of 1z0h by Molmil
N-terminal helix reorients in recombinant C-fragment of Clostridium botulinum type B
分子名称: Botulinum neurotoxin type B
著者Jayaraman, S, Eswarmoorthy, S, Ashraf, S.A, Smith, L.A, Swaminathan, S.
登録日2005-03-01
公開日2005-03-15
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献N-terminal helix reorients in recombinant C-fragment of Clostridium botulinum type B.
Biochem.Biophys.Res.Commun., 330, 2005
3KNX
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BU of 3knx by Molmil
HCV NS3 protease domain with P1-P3 macrocyclic ketoamide inhibitor
分子名称: (2R)-2-{(3S,13S,16aS,17aR,17bS)-13-[({(1S)-1-[(4,4-dimethyl-2,6-dioxopiperidin-1-yl)methyl]-2,2-dimethylpropyl}carbamoyl)amino]-17,17-dimethyl-1,14-dioxooctadecahydro-2H-cyclopropa[3,4]pyrrolo[1,2-a][1,4]diazacyclohexadecin-3-yl}-2-hydroxy-N-prop-2-en-1-ylethanamide, BETA-MERCAPTOETHANOL, HCV NS3 Protease, ...
著者Venkatraman, S, Velazquez, F, Wu, W, Blackman, M, Chen, K.X, Bogen, S, Nair, L, Tong, X, Chase, R, Hart, A, Agrawal, S, Pichardo, J, Prongay, A, Cheng, K.-C, Girijavallabhan, V, Piwinski, J, Shih, N.-Y, Njoroge, F.G.
登録日2009-11-12
公開日2010-10-27
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Discovery and structure-activity relationship of P1-P3 ketoamide derived macrocyclic inhibitors of hepatitis C virus NS3 protease.
J.Med.Chem., 52, 2009
1YXW
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BU of 1yxw by Molmil
A common binding site for disialyllactose and a tri-peptide in the C-fragment of tetanus neurotoxin
分子名称: GLUTAMIC ACID, TRYPTOPHAN, TYROSINE, ...
著者Jayaraman, S, Eswaramoorthy, S, Kumaran, D, Swaminathan, S.
登録日2005-02-22
公開日2005-03-15
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Common binding site for disialyllactose and tri-peptide in C-fragment of tetanus neurotoxin
Proteins, 61, 2005
2LBM
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BU of 2lbm by Molmil
Solution structure of the ADD domain of ATRX complexed with histone tail H3 1-15 K9me3
分子名称: Transcriptional regulator ATRX, ZINC ION, histone tail H3 K9me3
著者Eustermann, S, Yang, J, Neuhaus, D.
登録日2011-04-08
公開日2011-06-29
最終更新日2011-07-13
実験手法SOLUTION NMR
主引用文献Combinatorial readout of histone H3 modifications specifies localization of ATRX to heterochromatin
Nat.Struct.Mol.Biol., 2011
4X9L
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BU of 4x9l by Molmil
N-terminal domain of Heat shock protein 90 from Oryza sativa
分子名称: Heat shock protein, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, TETRAETHYLENE GLYCOL
著者Raman, S, Suguna, K.
登録日2014-12-11
公開日2015-06-10
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Functional characterization of heat-shock protein 90 from Oryza sativa and crystal structure of its N-terminal domain.
Acta Crystallogr.,Sect.F, 71, 2015
4XCJ
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BU of 4xcj by Molmil
N-terminal domain of Hsp90 from Dictyostelium discoideum in complex with ADP
分子名称: ADENOSINE-5'-DIPHOSPHATE, Heat shock cognate 90 kDa protein, MAGNESIUM ION
著者Raman, S, Suguna, K.
登録日2014-12-18
公開日2015-12-09
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献First Structural View of a Peptide Interacting with the Nucleotide Binding Domain of Heat Shock Protein 90
Sci Rep, 5, 2015
4XDM
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BU of 4xdm by Molmil
N-terminal domain of Hsp90 from Dictyostelium discoideum in complex with Geldanamycin
分子名称: DI(HYDROXYETHYL)ETHER, GELDANAMYCIN, Heat shock cognate 90 kDa protein
著者Raman, S, Suguna, K.
登録日2014-12-19
公開日2015-12-09
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献First Structural View of a Peptide Interacting with the Nucleotide Binding Domain of Heat Shock Protein 90
Sci Rep, 5, 2015

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