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5CR5
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X-RAY CRYSTAL STRUCTURE AT 1.61A RESOLUTION OF HUMAN MITOCHONDRIAL BRANCHED CHAIN AMINOTRANSFERASE (BCATM) COMPLEXED WITH A BIPHENYL PYRROLIDINE ETHER COMPOUND AND AN INTERNAL ALDIMINE LINKED PLP COFACTOR.
分子名称: 1,2-ETHANEDIOL, 3-({(3R)-1-[(5-bromothiophen-2-yl)carbonyl]pyrrolidin-3-yl}oxy)-N-methyl-2'-[(methylsulfonyl)amino]biphenyl-4-carboxamide, Branched-chain-amino-acid aminotransferase, ...
著者Somers, D.O.
登録日2015-07-22
公開日2015-08-12
最終更新日2015-09-02
実験手法X-RAY DIFFRACTION (1.61 Å)
主引用文献Discovery, SAR, and X-ray Binding Mode Study of BCATm Inhibitors from a Novel DNA-Encoded Library.
Acs Med.Chem.Lett., 6, 2015
5A6S
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BU of 5a6s by Molmil
Crystal structure of the CTP1L endolysin reveals how its activity is regulated by a secondary translation product
分子名称: ENDOLYSIN, GLYCEROL, PENTAETHYLENE GLYCOL, ...
著者Dunne, M, Leicht, S, Krichel, B, Mertens, H.D.T, Thompson, A, Krijgsveld, J, Svergun, D.I, GomezTorres, N, Garde, S, Uetrecht, C, Narbad, A, Mayer, M.J, Meijers, R.
登録日2015-07-01
公開日2015-12-30
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal Structure of the Ctp1L Endolysin Reveals How its Activity is Regulated by a Secondary Translation Product.
J.Biol.Chem., 291, 2016
3QGH
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BU of 3qgh by Molmil
Crystal structure of the hepatitis C virus NS5B RNA-dependent RNA polymerase genotype 1a complex with N-cyclopropyl-6-[(3R)-3-{[4-(trifluoromethoxy)benzyl]carbamoyl}-4-{[4-(trifluoromethoxy)phenyl]sulfonyl}piperazin-1-yl]pyridazine-3-carboxamide
分子名称: N-cyclopropyl-6-[(3R)-3-{[4-(trifluoromethoxy)benzyl]carbamoyl}-4-{[4-(trifluoromethoxy)phenyl]sulfonyl}piperazin-1-yl]pyridazine-3-carboxamide, PHOSPHATE ION, RNA-directed RNA polymerase
著者Sheriff, S.
登録日2011-01-24
公開日2011-04-20
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.14 Å)
主引用文献Investigation of the mode of binding of a novel series of N-benzyl-4-heteroaryl-1-(phenylsulfonyl)piperazine-2-carboxamides to the hepatitis C virus polymerase.
Bioorg.Med.Chem.Lett., 21, 2011
3QE5
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BU of 3qe5 by Molmil
Complete structure of Streptococcus mutans Antigen I/II carboxy-terminus
分子名称: CALCIUM ION, MAGNESIUM ION, Major cell-surface adhesin PAc, ...
著者Larson, M.R, Rajashankar, K.R, Crowley, P.J, Kelly, C, Mitchell, T.J, Brady, L.J, Deivanayagam, C.
登録日2011-01-19
公開日2011-04-20
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal Structure of the C-terminal Region of Streptococcus mutans Antigen I/II and Characterization of Salivary Agglutinin Adherence Domains.
J.Biol.Chem., 286, 2011
5KQ5
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AMPK bound to allosteric activator
分子名称: 5'-AMP-activated protein kinase catalytic subunit alpha-1, 5'-AMP-activated protein kinase subunit beta-1, 5'-AMP-activated protein kinase subunit gamma-1, ...
著者Calabrese, M.F, Kurumbail, R.G.
登録日2016-07-05
公開日2016-08-17
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (3.41 Å)
主引用文献Discovery and Preclinical Characterization of 6-Chloro-5-[4-(1-hydroxycyclobutyl)phenyl]-1H-indole-3-carboxylic Acid (PF-06409577), a Direct Activator of Adenosine Monophosphate-activated Protein Kinase (AMPK), for the Potential Treatment of Diabetic Nephropathy.
J.Med.Chem., 59, 2016
3QGI
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BU of 3qgi by Molmil
Crystal structure of the hepatitis C virus NS5B RNA-dependent RNA polymerase genotype 1a complex with N-[(2S)-butan-2-yl]-6-[(3R)-3-{[4-(trifluoromethoxy)benzyl]carbamoyl}-4-{[4-(trifluoromethoxy)phenyl]sulfonyl}piperazin-1-yl]pyridazine-3-carboxamide
分子名称: GLYCEROL, N-[(2S)-butan-2-yl]-6-[(3R)-3-{[4-(trifluoromethoxy)benzyl]carbamoyl}-4-{[4-(trifluoromethoxy)phenyl]sulfonyl}piperazin-1-yl]pyridazine-3-carboxamide, RNA-directed RNA polymerase
著者Sheriff, S.
登録日2011-01-24
公開日2011-04-20
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Investigation of the mode of binding of a novel series of N-benzyl-4-heteroaryl-1-(phenylsulfonyl)piperazine-2-carboxamides to the hepatitis C virus polymerase.
Bioorg.Med.Chem.Lett., 21, 2011
8OES
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BU of 8oes by Molmil
MUC5B amino acids 26-1435 Three beads
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Mucin-5B
著者Khmelnitsky, L, Fass, D.
登録日2023-03-12
公開日2024-03-27
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Pulmonary Fibrosis Linked to Impaired Mucin 5B Supramolecular Assembly
To Be Published
7B9H
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BU of 7b9h by Molmil
Crystal structure of the PDE4D catalytic domain in complex with GEBR-42a
分子名称: 1,2-ETHANEDIOL, 3-[(~{E})-1-(3-cyclopentyloxy-4-methoxy-phenyl)ethylideneamino]oxy-1-morpholin-4-yl-propan-1-one, MAGNESIUM ION, ...
著者Torretta, A, Abbate, S, Parisini, E.
登録日2020-12-14
公開日2021-06-30
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Design, synthesis, biological evaluation and structural characterization of novel GEBR library PDE4D inhibitors.
Eur.J.Med.Chem., 223, 2021
1D8E
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BU of 1d8e by Molmil
Zinc-depleted FTase complexed with K-RAS4B peptide substrate and FPP analog.
分子名称: ACETATE ION, FARNESYLTRANSFERASE (ALPHA SUBUNIT), FARNESYLTRANSFERASE (BETA SUBUNIT), ...
著者Long, S.B, Casey, P.J, Beese, L.S.
登録日1999-10-22
公開日2000-03-20
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献The basis for K-Ras4B binding specificity to protein farnesyltransferase revealed by 2 A resolution ternary complex structures.
Structure Fold.Des., 8, 2000
8OER
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BU of 8oer by Molmil
MUC5B amino acids 26-1435
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Mucin-5B
著者Khmelnitsky, L, Fass, D.
登録日2023-03-12
公開日2024-03-27
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Pulmonary Fibrosis Linked to Impaired Mucin 5B Supramolecular Assembly
To Be Published
5D6M
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BU of 5d6m by Molmil
Mn(II)-loaded MnCcP.1
分子名称: Cytochrome c peroxidase, mitochondrial, MANGANESE (II) ION, ...
著者Robinson, H, Gao, Y.-G, Hosseinzadeh, P, Lu, Y.
登録日2015-08-12
公開日2016-03-09
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.653 Å)
主引用文献Enhancing Mn(II)-Binding and Manganese Peroxidase Activity in a Designed Cytochrome c Peroxidase through Fine-Tuning Secondary-Sphere Interactions.
Biochemistry, 55, 2016
5SV8
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BU of 5sv8 by Molmil
Crystal Structure of the catalytic nucleophile and surface cysteine mutant of VvEG16 in complex with a xyloglucan oligosaccharide
分子名称: alpha-D-xylopyranose-(1-6)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-[alpha-D-xylopyranose-(1-6)]beta-D-glucopyranose-(1-4)-beta-D-glucopyranose, probable xyloglucan endotransglucosylase/hydrolase protein 19
著者McGregor, N.G.S, Tung, C.C, Van Petegem, F, Brumer, H.
登録日2016-08-05
公開日2016-09-21
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.588 Å)
主引用文献Crystallographic insight into the evolutionary origins of xyloglucan endotransglycosylases and endohydrolases.
Plant J., 89, 2017
3K0J
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BU of 3k0j by Molmil
Crystal structure of the E. coli ThiM riboswitch in complex with thiamine pyrophosphate and the U1A crystallization module
分子名称: MAGNESIUM ION, RNA (87-MER), THIAMINE DIPHOSPHATE, ...
著者Kulshina, N, Edwards, T.E, Ferre-D'Amare, A.R.
登録日2009-09-24
公開日2009-12-22
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Thermodynamic analysis of ligand binding and ligand binding-induced tertiary structure formation by the thiamine pyrophosphate riboswitch.
Rna, 16, 2010
8JTR
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BU of 8jtr by Molmil
Cryo-EM structure of GeoCas9-sgRNA binary complex
分子名称: CRISPR-associated endonuclease Cas9, sgRNA (139-bp)
著者Shen, P.P, Liu, B.B, Li, X, Zhang, L.L, Chen, C.-C, Guo, R.-T.
登録日2023-06-22
公開日2024-06-05
実験手法ELECTRON MICROSCOPY (3.21 Å)
主引用文献Cryo-EM structure of GeoCas9-sgRNA binary complex
To Be Published
8R1V
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BU of 8r1v by Molmil
Pseudomonas aeruginosa FabF C164A in complex with N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-(4-methoxyphenoxy)acetamide
分子名称: 3-oxoacyl-[acyl-carrier-protein] synthase 2, DIMETHYL SULFOXIDE, FORMIC ACID, ...
著者Yadrykhinsky, V, Brenk, R.
登録日2023-11-02
公開日2024-03-06
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.087 Å)
主引用文献Design, quality and validation of the EU-OPENSCREEN fragment library poised to a high-throughput screening collection.
Rsc Med Chem, 15, 2024
8R0I
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BU of 8r0i by Molmil
Pseudomonas aeruginosa FabF C164A in complex with 3-amino-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)benzamide
分子名称: 1,2-ETHANEDIOL, 3-azanyl-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)benzamide, 3-oxoacyl-[acyl-carrier-protein] synthase 2, ...
著者Yadrykhinsky, V, Brenk, R.
登録日2023-10-31
公開日2024-03-06
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.51 Å)
主引用文献Design, quality and validation of the EU-OPENSCREEN fragment library poised to a high-throughput screening collection.
Rsc Med Chem, 15, 2024
3HA8
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BU of 3ha8 by Molmil
THE COMPLEX STRUCTURE OF THE MAP KINASE P38/Compound 14b
分子名称: Mitogen-activated protein kinase 14, N~2~-{4-[6-(3,4-dihydroquinolin-1(2H)-ylcarbonyl)-1H-benzimidazol-1-yl]-6-ethoxy-1,3,5-triazin-2-yl}-3-(2,2-dimethyl-4H-1,3-benzodioxin-6-yl)-N-methyl-L-alaninamide
著者Zhao, B, Clark, M.A.
登録日2009-05-01
公開日2009-08-04
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.48 Å)
主引用文献Design, synthesis and selection of DNA-encoded small-molecule libraries.
Nat.Chem.Biol., 5, 2009
3HCK
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BU of 3hck by Molmil
NMR ensemble of the uncomplexed human HCK SH2 domain, 20 structures
分子名称: HCK SH2
著者Zhang, W, Smithgall, T.E, Gmeiner, W.H.
登録日1997-03-31
公開日1997-10-15
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Sequential assignment and secondary structure determination for the Src homology 2 domain of hematopoietic cellular kinase.
FEBS Lett., 406, 1997
5IKX
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BU of 5ikx by Molmil
Crystal structure of the alpha-esterase-7 carboxyl esterase (dimer), E3, from Lucilia cuprina
分子名称: Carboxylic ester hydrolase
著者Jackson, C, Fraser, N.
登録日2016-03-04
公開日2016-06-22
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.19 Å)
主引用文献Evolution of Protein Quaternary Structure in Response to Selective Pressure for Increased Thermostability.
J.Mol.Biol., 428, 2016
8RP4
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BU of 8rp4 by Molmil
Alpha-Methylacyl-CoA racemase from Mycobacterium tuberculosis (D156A mutant)
分子名称: 1,2-ETHANEDIOL, Alpha-methylacyl-CoA racemase, DI(HYDROXYETHYL)ETHER
著者Mojanaga, O.O, Acharya, K.R, Lloyd, M.D.
登録日2024-01-12
公開日2024-04-10
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献alpha-Methylacyl-CoA Racemase from Mycobacterium tuberculosis -Detailed Kinetic and Structural Characterization of the Active Site.
Biomolecules, 14, 2024
8S3E
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BU of 8s3e by Molmil
Structure of rabbit Slo1 in complex with gamma1/LRRC26
分子名称: (4S,7R)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSAN-1-AMINIUM 4-OXIDE, CALCIUM ION, CHOLESTEROL, ...
著者Redhardt, M, Raunser, S, Raisch, T.
登録日2024-02-20
公開日2024-04-10
最終更新日2024-05-01
実験手法ELECTRON MICROSCOPY (2.39 Å)
主引用文献Cryo-EM structure of the Slo1 potassium channel with the auxiliary gamma 1 subunit suggests a mechanism for depolarization-independent activation.
Febs Lett., 598, 2024
8RMW
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BU of 8rmw by Molmil
Alpha-Methylacyl-CoA racemase from Mycobacterium tuberculosis.
分子名称: 1,2-ETHANEDIOL, Alpha-methylacyl-CoA racemase, DI(HYDROXYETHYL)ETHER
著者Mojanaga, O.O, Acharya, K.R, Lloyd, M.D.
登録日2024-01-09
公開日2024-04-10
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献alpha-Methylacyl-CoA Racemase from Mycobacterium tuberculosis -Detailed Kinetic and Structural Characterization of the Active Site.
Biomolecules, 14, 2024
8RP3
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Alpha-Methylacyl-CoA racemase from Mycobacterium tuberculosis (H126A mutant)
分子名称: 1,2-ETHANEDIOL, Alpha-methylacyl-CoA racemase
著者Mojanaga, O.O, Acharya, K.R, Lloyd, M.D.
登録日2024-01-12
公開日2024-04-10
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献alpha-Methylacyl-CoA Racemase from Mycobacterium tuberculosis -Detailed Kinetic and Structural Characterization of the Active Site.
Biomolecules, 14, 2024
8RP5
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Alpha-Methylacyl-CoA racemase from Mycobacterium tuberculosis (E241A mutant)
分子名称: 1,2-ETHANEDIOL, Alpha-methylacyl-CoA racemase, TRIETHYLENE GLYCOL
著者Mojanaga, O.O, Acharya, K.R, Lloyd, M.D.
登録日2024-01-12
公開日2024-04-10
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献alpha-Methylacyl-CoA Racemase from Mycobacterium tuberculosis -Detailed Kinetic and Structural Characterization of the Active Site.
Biomolecules, 14, 2024
8PJ0
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BU of 8pj0 by Molmil
Pseudomonas aeruginosa FabF C164A mutant in complex with N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-3-methylbutanamide
分子名称: 3-oxoacyl-[acyl-carrier-protein] synthase 2, DIMETHYL SULFOXIDE, FORMIC ACID, ...
著者Georgiou, C, Brenk, R, Espeland, L.O.
登録日2023-06-22
公開日2024-02-21
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Design, quality and validation of the EU-OPENSCREEN fragment library poised to a high-throughput screening collection.
Rsc Med Chem, 15, 2024

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件を2024-09-11に公開中

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