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5FBF
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BU of 5fbf by Molmil
S1 nuclease from Aspergillus oryzae in complex with two molecules of 2'-deoxycytidine-5'-monophosphate
分子名称: 2'-DEOXYCYTIDINE-5'-MONOPHOSPHATE, 2-acetamido-2-deoxy-beta-D-glucopyranose, Nuclease S1, ...
著者Koval, T, Oestergaard, L.H, Dohnalek, J.
登録日2015-12-14
公開日2016-12-28
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.04 Å)
主引用文献Structural and Catalytic Properties of S1 Nuclease from Aspergillus oryzae Responsible for Substrate Recognition, Cleavage, Non-Specificity, and Inhibition.
PLoS ONE, 11, 2016
6C9N
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BU of 6c9n by Molmil
Mycobacterium tuberculosis adenosine kinase bound to sangivamycin
分子名称: Adenosine kinase, GLYCEROL, SANGIVAMYCIN, ...
著者Crespo, R.A, TB Structural Genomics Consortium (TBSGC)
登録日2018-01-28
公開日2019-05-01
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure-Guided Drug Design of 6-Substituted Adenosine Analogues as Potent Inhibitors of Mycobacterium tuberculosis Adenosine Kinase.
J.Med.Chem., 62, 2019
5FAK
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BU of 5fak by Molmil
Crystal structure of Double Mutant S12T and N87T of Adenosine/Methylthioadenosine Phosphorylase from Schistosoma mansoni in complex with Adenine
分子名称: ADENINE, Methylthioadenosine phosphorylase, SULFATE ION
著者Torini, J.R, Brandao-Neto, J, DeMarco, R, Pereira, H.M.
登録日2015-12-11
公開日2016-12-14
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献Crystal Structure of Schistosoma mansoni Adenosine Phosphorylase/5'-Methylthioadenosine Phosphorylase and Its Importance on Adenosine Salvage Pathway.
PLoS Negl Trop Dis, 10, 2016
5EMM
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BU of 5emm by Molmil
Crystal structure of PRMT5:MEP50 with Compound 15 and sinefungin
分子名称: GLYCEROL, Methylosome protein 50, Protein arginine N-methyltransferase 5, ...
著者Boriack-Sjodin, P.A, Jin, L.
登録日2015-11-06
公開日2016-02-24
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.37 Å)
主引用文献Structure and Property Guided Design in the Identification of PRMT5 Tool Compound EPZ015666.
ACS Med Chem Lett, 7, 2016
4IDK
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BU of 4idk by Molmil
HIV-1 reverse transcriptase with bound fragment at the 428 site
分子名称: 4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile, DIMETHYL SULFOXIDE, MAGNESIUM ION, ...
著者Bauman, J.D, Patel, D, Arnold, E.
登録日2012-12-12
公開日2013-02-06
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Detecting Allosteric Sites of HIV-1 Reverse Transcriptase by X-ray Crystallographic Fragment Screening.
J.Med.Chem., 56, 2013
5EFI
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BU of 5efi by Molmil
Crystal structure of mouse CD1d in complex with the p99p lipopeptide
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, Antigen-presenting glycoprotein CD1d1, ...
著者Girardi, E, Wang, J, Zajonc, D.M.
登録日2015-10-23
公開日2016-03-30
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure of an alpha-Helical Peptide and Lipopeptide Bound to the Nonclassical Major Histocompatibility Complex (MHC) Class I Molecule CD1d.
J.Biol.Chem., 291, 2016
6WPK
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BU of 6wpk by Molmil
SARM1 Autoinhibited Conformation
分子名称: NAD(+) hydrolase SARM1
著者Xie, T, Bratkowski, M, Bai, X, Sambashivan, S.
登録日2020-04-27
公開日2020-08-12
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Structural and Mechanistic Regulation of the Prodegenerative NAD Hydrolase SARM1
Cell Rep, 32, 2020
5F9J
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BU of 5f9j by Molmil
Structure of HLA-A2:01 with peptide Y9L
分子名称: Beta-2-microglobulin, GLYCEROL, HLA class I histocompatibility antigen, ...
著者Remesh, S.G, Zajonc, D.M.
登録日2015-12-09
公開日2016-12-21
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.51 Å)
主引用文献Unconventional Peptide Presentation by Major Histocompatibility Complex (MHC) Class I Allele HLA-A*02:01: BREAKING CONFINEMENT.
J. Biol. Chem., 292, 2017
5FA3
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BU of 5fa3 by Molmil
Structure of HLA-A2:01 with peptide G9V
分子名称: Beta-2-microglobulin, G9V, GLYCEROL, ...
著者Zajonc, D.M, Remesh, S.G.
登録日2015-12-10
公開日2016-12-21
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Unconventional Peptide Presentation by Major Histocompatibility Complex (MHC) Class I Allele HLA-A*02:01: BREAKING CONFINEMENT.
J. Biol. Chem., 292, 2017
4NP6
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BU of 4np6 by Molmil
Crystal Structure of Adenylate Kinase from Vibrio cholerae O1 biovar eltor
分子名称: Adenylate kinase
著者Kim, Y, Zhou, M, Grimshaw, S, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2013-11-20
公開日2013-12-18
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.004 Å)
主引用文献Crystal Structure of Adenylate Kinase from Vibrio cholerae O1 biovar eltor
To be Published
2WZL
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BU of 2wzl by Molmil
The Structure of the N-RNA Binding Domain of the Mokola virus Phosphoprotein
分子名称: GLYCEROL, PHOSPHOPROTEIN
著者Assenberg, R, Delmas, O, Ren, J, Vidalain, P, Verma, A, Larrous, F, Graham, S, Tangy, F, Grimes, J, Bourhy, H.
登録日2009-11-30
公開日2009-12-15
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献The Structure of the N-RNA Binding Domain of the Mokola Virus Phosphoprotein
J.Virol., 84, 2010
4JLK
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BU of 4jlk by Molmil
Human dCK C4S-S74E mutant in complex with UDP and the F2.2.1 inhibitoR (2-[({2-[3-(2-FLUOROETHOXY)-4-METHOXYPHENYL]-5-METHYL-1,3-THIAZOL-4-YL}METHYL)SULFANYL]PYRIMIDINE-4,6-DIAMINE)
分子名称: 2-[({2-[3-(2-fluoroethoxy)-4-methoxyphenyl]-5-methyl-1,3-thiazol-4-yl}methyl)sulfanyl]pyrimidine-4,6-diamine, Deoxycytidine kinase, URIDINE-5'-DIPHOSPHATE
著者Nomme, J, Lavie, A.
登録日2013-03-12
公開日2013-09-18
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Development of new deoxycytidine kinase inhibitors and noninvasive in vivo evaluation using positron emission tomography.
J.Med.Chem., 56, 2013
5FSL
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BU of 5fsl by Molmil
MTH1 substrate recognition: Complex with a methylaminopurinone
分子名称: 7,8-DIHYDRO-8-OXOGUANINE TRIPHOSPHATASE, 9-METHYL-2-(METHYLAMINO)-1H-PURIN-6-ONE, SULFATE ION
著者Nissink, J.W.M, Bista, M, Breed, J, Carter, N, Embrey, K, Read, J, Phillips, C, Winter, J.J.
登録日2016-01-06
公開日2016-07-20
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.24 Å)
主引用文献Mth1 Substrate Recognition--an Example of Specific Promiscuity.
Plos One, 11, 2016
5CUF
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BU of 5cuf by Molmil
X-ray crystal structure of SeMet human Sestrin2
分子名称: Sestrin-2
著者Kim, H, An, S, Ro, S.-H, Lee, J.H, Cho, U.-S.
登録日2015-07-24
公開日2016-01-13
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Janus-faced Sestrin2 controls ROS and mTOR signalling through two separate functional domains.
Nat Commun, 6, 2015
5CWS
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BU of 5cws by Molmil
Crystal structure of the intact Chaetomium thermophilum Nsp1-Nup49-Nup57 channel nucleoporin heterotrimer bound to its Nic96 nuclear pore complex attachment site
分子名称: Nucleoporin NIC96, Nucleoporin NSP1, Nucleoporin NUP49, ...
著者Bley, C.J, Petrovic, S, Paduch, M, Lu, V, Kossiakoff, A.A, Hoelz, A.
登録日2015-07-28
公開日2015-10-14
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (3.77 Å)
主引用文献Architecture of the fungal nuclear pore inner ring complex.
Science, 350, 2015
7JTN
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BU of 7jtn by Molmil
Human Complement Factor B Inhibited by a Slow Off-Rate Modified Aptamer of 29 Bases
分子名称: Complement factor B, DNA (30-MER)
著者Xu, X, Geisbrecht, B.V.
登録日2020-08-18
公開日2020-12-09
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Inhibition of the Complement Alternative Pathway by Chemically Modified DNA Aptamers That Bind with Picomolar Affinity to Factor B.
J Immunol., 206, 2021
4KAI
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BU of 4kai by Molmil
HCV NS5B GT1B N316 with GSK5852A
分子名称: HCV Polymerase, [4-({[5-cyclopropyl-2-(4-fluorophenyl)-3-(methylcarbamoyl)-1-benzofuran-6-yl](methylsulfonyl)amino}methyl)-2-fluorophenyl]boronic acid
著者Williams, S.P, Kahler, K.M, Shotwell, J.B.
登録日2013-04-22
公開日2013-05-08
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Discovery of a Potent Boronic Acid Derived Inhibitor of the HCV RNA-Dependent RNA Polymerase.
J.Med.Chem., 57, 2014
5DET
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BU of 5det by Molmil
X-ray structure of human RBPMS in complex with the RNA
分子名称: RNA (5'-R(*UP*CP*AP*C)-3'), RNA (5'-R(P*UP*CP*AP*CP*U)-3'), RNA-binding protein with multiple splicing, ...
著者Teplova, M, Farazi, T.A, Tuschl, T, Patel, D.J.
登録日2015-08-25
公開日2015-09-23
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structural basis underlying CAC RNA recognition by the RRM domain of dimeric RNA-binding protein RBPMS.
Q. Rev. Biophys., 49, 2016
5HY7
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BU of 5hy7 by Molmil
SF3B10-SF3B130 from Chaetomium thermophilum
分子名称: CALCIUM ION, Putative pre-mRNA splicing protein, YSF3
著者Ponce-Salvatierra, A, Schmitzova, J, Pena, V.
登録日2016-02-01
公開日2016-10-26
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Molecular Architecture of SF3b and Structural Consequences of Its Cancer-Related Mutations.
Mol.Cell, 64, 2016
5H6H
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BU of 5h6h by Molmil
Crystal Structure of Hyperthermophilic Thermotoga maritima L-Ribulose 3-Epimerase with Mn2+
分子名称: MANGANESE (II) ION, PENTAETHYLENE GLYCOL, TETRAETHYLENE GLYCOL, ...
著者Cao, T.-P, Choi, J.M, Shin, S.M, Le, D.W, Lee, S.H.
登録日2016-11-13
公開日2017-03-15
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.446 Å)
主引用文献TM0416, a Hyperthermophilic Promiscuous Nonphosphorylated Sugar Isomerase, Catalyzes Various C5and C6Epimerization Reactions
Appl. Environ. Microbiol., 83, 2017
4OEH
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BU of 4oeh by Molmil
X-ray Structure of Uridine Phosphorylase from Vibrio cholerae Complexed with Uracil at 1.91 A Resolution
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, ETHANOL, ...
著者Prokofev, I.I, Lashkov, A.A, Gabdoulkhakov, A.G, Betzel, C, Mikhailov, A.M.
登録日2014-01-13
公開日2015-03-04
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献X-ray structures of uridine phosphorylase from Vibrio cholerae in complexes with uridine, thymidine, uracil, thymine, and phosphate anion: Substrate specificity of bacterial uridine phosphorylases.
To Be Published, Crystallogr. Rep., 2016
4KE5
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BU of 4ke5 by Molmil
HCV NS5B GT1B N316Y with GSK5852
分子名称: HCV Polymerase, [4-({[5-cyclopropyl-2-(4-fluorophenyl)-3-(methylcarbamoyl)-1-benzofuran-6-yl](methylsulfonyl)amino}methyl)-2-fluorophenyl]boronic acid
著者Williams, S.P, Kahler, K.M, Shotwell, J.B.
登録日2013-04-25
公開日2013-05-15
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.11 Å)
主引用文献Discovery of a Potent Boronic Acid Derived Inhibitor of the HCV RNA-Dependent RNA Polymerase.
J.Med.Chem., 57, 2014
6C9P
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BU of 6c9p by Molmil
Mycobacterium tuberculosis adenosine kinase bound to 6-methylmercaptopurine riboside
分子名称: 2-HYDROXYMETHYL-5-(6-METHYLSULFANYL-PURIN-9-YL)-TETRAHYDRO-FURAN-3,4-DIOL, Adenosine kinase, GLYCEROL, ...
著者Crespo, R.A, TB Structural Genomics Consortium (TBSGC)
登録日2018-01-28
公開日2019-05-01
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure-Guided Drug Design of 6-Substituted Adenosine Analogues as Potent Inhibitors of Mycobacterium tuberculosis Adenosine Kinase.
J.Med.Chem., 62, 2019
6M23
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BU of 6m23 by Molmil
Overall structure of KCC2
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, CHLORIDE ION, ...
著者Chi, X.M, Li, X.R, Chen, Y, Zhang, Y.Y, Su, Q, Zhou, Q.
登録日2020-02-26
公開日2020-11-04
最終更新日2024-11-13
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Cryo-EM structures of the full-length human KCC2 and KCC3 cation-chloride cotransporters.
Cell Res., 31, 2021
5DMD
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BU of 5dmd by Molmil
Crystal structure of the flagellar assembly factor FliW
分子名称: Flagellar assembly factor FliW
著者Altegoer, F, Bange, G.
登録日2015-09-08
公開日2016-09-07
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Structural basis for the CsrA-dependent modulation of translation initiation by an ancient regulatory protein.
Proc.Natl.Acad.Sci.USA, 113, 2016

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