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2F81
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BU of 2f81 by Molmil
HIV-1 Protease mutant L90M complexed with inhibitor TMC114
分子名称: (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, CHLORIDE ION, GLYCEROL, ...
著者Kovalevsky, A.Y, Weber, I.T.
登録日2005-12-01
公開日2006-03-07
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Effectiveness of Nonpeptide Clinical Inhibitor TMC-114 on HIV-1 Protease with Highly Drug Resistant Mutations D30N, I50V, and L90M.
J.Med.Chem., 49, 2006
2FNA
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BU of 2fna by Molmil
Crystal structure of an archaeal aaa+ atpase (sso1545) from sulfolobus solfataricus p2 at 2.00 A resolution
分子名称: 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, Conserved hypothetical protein, ...
著者Joint Center for Structural Genomics (JCSG)
登録日2006-01-10
公開日2006-02-07
最終更新日2023-01-25
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of a novel archaeal AAA+ ATPase SSO1545 from Sulfolobus solfataricus.
Proteins, 74, 2009
2J5B
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BU of 2j5b by Molmil
Structure of the Tyrosyl tRNA synthetase from Acanthamoeba polyphaga Mimivirus complexed with tyrosynol
分子名称: 4-[(2S)-2-amino-3-hydroxypropyl]phenol, TYROSYL-TRNA SYNTHETASE
著者Abergel, C, Rudinger-thirion, J, Giege, R, Claverie, J.M.
登録日2006-09-13
公開日2007-09-25
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Virus-Encoded Aminoacyl-tRNA Synthetases: Structural and Functional Characterization of Mimivirus Tyrrs and Metrs.
J.Virol., 81, 2007
3LK6
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BU of 3lk6 by Molmil
Beta-N-hexosaminidase N318D mutant (YBBD_N318D) from bacillus subtilis
分子名称: DI(HYDROXYETHYL)ETHER, Lipoprotein ybbD, SODIUM ION
著者Krug, M.
登録日2010-01-27
公開日2011-05-25
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.88 Å)
主引用文献Beta-N-hexosaminidase N318D mutant (YBBD_N318D) from bacillus subtilis
To be Published
2RDO
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BU of 2rdo by Molmil
50S subunit with EF-G(GDPNP) and RRF bound
分子名称: 23S RIBOSOMAL RNA, 50S ribosomal protein L1, 50S ribosomal protein L11, ...
著者Gao, N, Zavialov, A.V, Ehrenberg, M, Frank, J.
登録日2007-09-24
公開日2008-03-04
最終更新日2024-02-21
実験手法ELECTRON MICROSCOPY (9.1 Å)
主引用文献Specific interaction between EF-G and RRF and its implication for GTP-dependent ribosome splitting into subunits.
J.Mol.Biol., 374, 2007
3LXG
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BU of 3lxg by Molmil
Crystal structure of rat phosphodiesterase 10A in complex with ligand WEB-3
分子名称: 2-methoxy-6,7-dimethyl-9-propylimidazo[1,5-a]pyrido[3,2-e]pyrazine, MAGNESIUM ION, ZINC ION, ...
著者Mosbacher, T, Jestel, A, Steinbacher, S.
登録日2010-02-25
公開日2010-05-19
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Discovery of imidazo[1,5-a]pyrido[3,2-e]pyrazines as a new class of phosphodiesterase 10A inhibitiors.
J.Med.Chem., 53, 2010
3LPZ
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BU of 3lpz by Molmil
Crystal structure of C. therm. Get4
分子名称: Uncharacterized protein
著者Bozkurt, G, Wild, K, Sinning, I.
登録日2010-02-08
公開日2010-03-16
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献The structure of Get4 reveals an alpha-solenoid fold adapted for multiple interactions in tail-anchored protein biogenesis.
Febs Lett., 584, 2010
3M2L
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BU of 3m2l by Molmil
Crystal structure of the M113F mutant of alpha-hemolysin
分子名称: Alpha-hemolysin
著者Montoya, M, Gouaux, E.
登録日2010-03-07
公開日2010-05-12
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Molecular bases of cyclodextrin adapter interactions with engineered protein nanopores.
Proc.Natl.Acad.Sci.USA, 107, 2010
3M4D
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BU of 3m4d by Molmil
Crystal structure of the M113N mutant of alpha-hemolysin
分子名称: Alpha-hemolysin
著者Montoya, M, Gouaux, E.
登録日2010-03-10
公開日2010-05-05
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Molecular bases of cyclodextrin adapter interactions with engineered protein nanopores.
Proc.Natl.Acad.Sci.USA, 107, 2010
2N87
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BU of 2n87 by Molmil
Solution structure of the PPIase domain of TbPar42
分子名称: Uncharacterized protein
著者Rehic, E, Bayer, P.
登録日2015-10-05
公開日2016-10-12
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Structural Analysis of the 42 kDa Parvulin of Trypanosoma brucei.
Biomolecules, 9, 2019
1HT3
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BU of 1ht3 by Molmil
MERCURY INDUCED MODIFICATIONS IN THE STEREOCHEMISTRY OF THE ACTIVE SITE THROUGH CYS-73 IN A SERINE PROTEASE: CRYSTAL STRUCTURE OF THE COMPLEX OF A PARTIALLY MODIFIED PROTEINASE K WITH MERCURY AT 1.8 A RESOLUTION
分子名称: CALCIUM ION, MERCURY (II) ION, PROTEINASE K
著者Gourinath, S.
登録日2000-12-27
公開日2001-06-27
最終更新日2018-01-24
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Mercury induced modifications in the stereochemistry of the active site through Cys-73 in a serine protease--crystal structure of the complex of a partially modified proteinase K with mercury at 1.8 A resolution
Indian J.Biochem.Biophys., 38, 2001
4M84
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BU of 4m84 by Molmil
Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with inhibitor UW1455
分子名称: 5-amino-1-tert-butyl-3-(quinolin-2-yl)-1H-pyrazole-4-carboxamide, Calmodulin-domain protein kinase 1
著者Merritt, E.A.
登録日2013-08-12
公開日2013-10-02
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.998 Å)
主引用文献Potent and selective inhibitors of CDPK1 from T. gondii and C. parvum based on a 5-aminopyrazole-4-carboxamide scaffold.
ACS Med Chem Lett, 5, 2014
3M3R
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BU of 3m3r by Molmil
Crystal structure of the M113F alpha-hemolysin mutant complexed with beta-cyclodextrin
分子名称: Alpha-hemolysin, Cycloheptakis-(1-4)-(alpha-D-glucopyranose)
著者Montoya, M, Gouaux, E.
登録日2010-03-09
公開日2010-05-05
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Molecular bases of cyclodextrin adapter interactions with engineered protein nanopores.
Proc.Natl.Acad.Sci.USA, 107, 2010
1ICC
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BU of 1icc by Molmil
RAT OUTER MITOCHONDRIAL MEMBRANE CYTOCHROME B5
分子名称: CYTOCHROME B5 OUTER MITOCHONDRIAL MEMBRANE ISOFORM, MAGNESIUM ION, PROTOPORPHYRIN IX CONTAINING FE
著者Terzyan, S, Zhang, X.
登録日2001-03-30
公開日2001-09-19
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Probing the differences between rat liver outer mitochondrial membrane cytochrome b5 and microsomal cytochromes b5.
Biochemistry, 40, 2001
3M4E
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BU of 3m4e by Molmil
Crystal structure of the M113N mutant of alpha-hemolysin bound to beta-cyclodextrin
分子名称: Alpha-hemolysin, Cycloheptakis-(1-4)-(alpha-D-glucopyranose)
著者Montoya, M, Gouaux, E.
登録日2010-03-10
公開日2010-05-05
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Molecular bases of cyclodextrin adapter interactions with engineered protein nanopores.
Proc.Natl.Acad.Sci.USA, 107, 2010
5QII
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BU of 5qii by Molmil
CRYSTAL STRUCTURE OF 11BETA-HSD1 DOUBLE MUTANT (L262R, F278E) COMPLEXED WITH 2-(3-(1-(4-CHLOROPHENYL)CYCLOPROPYL) -[1,2,4]TRIAZOLO[4,3-A]PYRIDIN-8-YL)PROPAN-2-OL
分子名称: 2-{3-[1-(4-chlorophenyl)cyclopropyl][1,2,4]triazolo[4,3-a]pyridin-8-yl}propan-2-ol, Corticosteroid 11-beta-dehydrogenase isozyme 1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Sheriff, S.
登録日2018-07-03
公開日2018-12-19
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Discovery of Clinical Candidate BMS-823778 as an Inhibitor of Human 11 beta-Hydroxysteroid Dehydrogenase Type 1 (11 beta-HSD-1).
ACS Med Chem Lett, 9, 2018
2GAT
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BU of 2gat by Molmil
SOLUTION STRUCTURE OF THE C-TERMINAL DOMAIN OF CHICKEN GATA-1 BOUND TO DNA, NMR, REGULARIZED MEAN STRUCTURE
分子名称: DNA (5'-D(*AP*AP*TP*GP*TP*TP*TP*AP*TP*CP*TP*GP*CP*AP*AP*C)-3'), DNA (5'-D(*GP*TP*TP*GP*CP*AP*GP*AP*TP*AP*AP*AP*CP*AP*TP*T)-3'), ERYTHROID TRANSCRIPTION FACTOR GATA-1, ...
著者Clore, G.M, Tjandra, N, Starich, M, Omichinski, J.G, Gronenborn, A.M.
登録日1997-11-07
公開日1998-01-28
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献Use of dipolar 1H-15N and 1H-13C couplings in the structure determination of magnetically oriented macromolecules in solution.
Nat.Struct.Biol., 4, 1997
5QIJ
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BU of 5qij by Molmil
CRYSTAL STRUCTURE OF MURINE 11B- HYDROXYSTEROIDDEHYDROGENASE COMPLEXED WITH 2-(3-(1-(4- CHLOROPHENYL)CYCLOPROPYL)-[1,2,4]TRIAZOLO[4,3-A]PYRIDIN-8- YL)PROPAN-2-OL
分子名称: 2-{3-[1-(4-chlorophenyl)cyclopropyl][1,2,4]triazolo[4,3-a]pyridin-8-yl}propan-2-ol, Corticosteroid 11-beta-dehydrogenase isozyme 1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Sheriff, S.
登録日2018-07-03
公開日2018-12-19
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Discovery of Clinical Candidate BMS-823778 as an Inhibitor of Human 11 beta-Hydroxysteroid Dehydrogenase Type 1 (11 beta-HSD-1).
ACS Med Chem Lett, 9, 2018
2WSI
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BU of 2wsi by Molmil
Crystal structure of yeast FAD synthetase (Fad1) in complex with FAD
分子名称: FAD SYNTHETASE, FLAVIN-ADENINE DINUCLEOTIDE, SULFATE ION
著者Leulliot, N, van Tilbeurgh, H.
登録日2009-09-07
公開日2010-05-26
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal Structure of Yeast Fad Synthetase (Fad1) in Complex with Fad.
J.Mol.Biol., 398, 2010
1OAP
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BU of 1oap by Molmil
Mad structure of the periplasmique domain of the Escherichia coli PAL protein
分子名称: PEPTIDOGLYCAN-ASSOCIATED LIPOPROTEIN, SULFATE ION
著者Abergel, C, Walburger, A, Bouveret, E, Claverie, J.M.
登録日2003-01-20
公開日2004-02-13
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Crystallization and preliminary crystallographic study of the peptidoglycan-associated lipoprotein from Escherichia coli.
Acta Crystallogr.,Sect.D, 57, 2001
4TIM
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BU of 4tim by Molmil
CRYSTALLOGRAPHIC AND MOLECULAR MODELING STUDIES ON TRYPANOSOMAL TRIOSEPHOSPHATE ISOMERASE: A CRITICAL ASSESSMENT OF THE PREDICTED AND OBSERVED STRUCTURES OF THE COMPLEX WITH 2-PHOSPHOGLYCERATE
分子名称: 2-PHOSPHOGLYCERIC ACID, TRIOSEPHOSPHATE ISOMERASE
著者Nobel, M.E.M, Wierenga, R.K, Hol, W.G.J.
登録日1991-04-11
公開日1992-10-15
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystallographic and molecular modeling studies on trypanosomal triosephosphate isomerase: a critical assessment of the predicted and observed structures of the complex with 2-phosphoglycerate.
J.Med.Chem., 34, 1991
3Q4U
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BU of 3q4u by Molmil
Crystal structure of the ACVR1 kinase domain in complex with LDN-193189
分子名称: 1,2-ETHANEDIOL, 4-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline, Activin receptor type-1, ...
著者Chaikuad, A, Sanvitale, C, Cooper, C.D.O, Mahajan, P, Daga, N, Petrie, K, Alfano, I, Gileadi, O, Fedorov, O, Allerston, C.K, Krojer, T, Vollmar, M, von Delft, F, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A, Structural Genomics Consortium (SGC)
登録日2010-12-24
公開日2011-02-09
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献A new class of small molecule inhibitor of BMP signaling.
Plos One, 8, 2013
3QYU
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Crystal structure of human cyclophilin D at 1.54 A resolution at room temperature
分子名称: Peptidyl-prolyl cis-trans isomerase F
著者Colliandre, L, Gelin, M, Labesse, G, Guichou, J.-F.
登録日2011-03-04
公開日2011-08-24
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献In-plate protein crystallization, in situ ligand soaking and X-ray diffraction.
Acta Crystallogr.,Sect.D, 67, 2011
3T92
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BU of 3t92 by Molmil
Crystal structure of the Taz2:C/EBPepsilon-TAD chimera protein
分子名称: 3,3',3''-phosphanetriyltripropanoic acid, ACETONE, HISTONE ACETYLTRANSFERASE P300 TAZ2-CCAAT/ENHANCER-BINDING PROTEIN EPSILON, ...
著者Bhaumik, P, Maria, M.
登録日2011-08-02
公開日2012-08-08
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structural insights into interactions of C/EBP transcriptional activators with the Taz2 domain of p300.
Acta Crystallogr. D Biol. Crystallogr., 70, 2014
7LHB
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BU of 7lhb by Molmil
Crystal structure of Bcl-2 in complex with prodrug ABBV-167
分子名称: Apoptosis regulator Bcl-2, Phosphoric acid mono-[5-(5-{4-[2-(4-chloro-phenyl)-4,4-dimethyl-cyclohex-1-enylmethyl]-piperazin-1-yl}-2-{3-nitro-4-[(tetrahydro-pyran-4-ylmethyl)-amino]-benzenesulfonylaminocarbonyl}-phenoxy)-pyrrolo[2,3-b]pyridin-7-ylmethyl] ester
著者Judge, R.A, Salem, A.H.
登録日2021-01-21
公開日2021-04-14
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.068 Å)
主引用文献Expanding the Repertoire for "Large Small Molecules": Prodrug ABBV-167 Efficiently Converts to Venetoclax with Reduced Food Effect in Healthy Volunteers.
Mol.Cancer Ther., 20, 2021

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