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4RH2
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BU of 4rh2 by Molmil
Crystal structure of human carbonic anhydrase II in complex with 2-(6-hydroxy-3-Oxo-3H-xanthen-9-yl)-5-{3-1-(4-sulfamoyl-phenyl)-1h-[1,2,3]triazol-4-ylmethyl-thioureido}-benzoic acid
分子名称: 2-(6-hydroxy-3-oxo-3H-xanthen-9-yl)-5-[({[1-(4-sulfamoylphenyl)-1H-1,2,3-triazol-4-yl]methyl}carbamothioyl)amino]benzoic acid, Carbonic anhydrase 2, GLYCEROL, ...
著者Ferraroni, M.
登録日2014-10-01
公開日2015-11-11
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献New classes of carbonic anhydrase inhibitors
to be published
7KRP
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BU of 7krp by Molmil
Structure of SARS-CoV-2 backtracked complex complex bound to nsp13 helicase - BTC (local refinement)
分子名称: ADENOSINE-5'-DIPHOSPHATE, CHAPSO, MAGNESIUM ION, ...
著者Chen, J, Malone, B, Campbell, E.A, Darst, S.A.
登録日2020-11-20
公開日2021-04-21
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Structural basis for backtracking by the SARS-CoV-2 replication-transcription complex.
Proc.Natl.Acad.Sci.USA, 118, 2021
5AM4
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BU of 5am4 by Molmil
ligand complex structure of soluble epoxide hydrolase
分子名称: 5-cyclohexylspiro[1H-indole-3,4'-oxane]-2-one, BIFUNCTIONAL EPOXIDE HYDROLASE 2, DIMETHYL SULFOXIDE, ...
著者Oster, L, Tapani, S, Xue, Y, Kack, H.
登録日2015-03-09
公開日2015-05-13
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献Successful Generation of Structural Information for Fragment-Based Drug Discovery.
Drug Discov Today, 20, 2015
5ALN
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BU of 5aln by Molmil
ligand complex structure of soluble epoxide hydrolase
分子名称: 5-(4-FLUOROPHENYL)-3,3-DIMETHYL-INDOLIN-2-ONE, BIFUNCTIONAL EPOXIDE HYDROLASE 2, DIMETHYL SULFOXIDE, ...
著者Oster, L, Tapani, S, Xue, Y, Kack, H.
登録日2015-03-08
公開日2015-05-13
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Successful Generation of Structural Information for Fragment-Based Drug Discovery.
Drug Discov Today, 20, 2015
4RGV
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BU of 4rgv by Molmil
Crystal structure of the Methanocaldococcus jannaschii G1PDH
分子名称: Glycerol-1-phosphate dehydrogenase, MAGNESIUM ION, ZINC ION
著者Carbone, V, Ronimus, R.S, Schofield, L.R, Sutherland-Smith, A.J.
登録日2014-09-30
公開日2015-07-22
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Structure and Evolution of the Archaeal Lipid Synthesis Enzyme sn-Glycerol-1-phosphate Dehydrogenase.
J.Biol.Chem., 290, 2015
7KRO
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BU of 7kro by Molmil
Structure of SARS-CoV-2 backtracked complex complex bound to nsp13 helicase - nsp13(2)-BTC
分子名称: ADENOSINE-5'-DIPHOSPHATE, ALUMINUM FLUORIDE, CHAPSO, ...
著者Chen, J, Malone, B, Campbell, E.A, Darst, S.A.
登録日2020-11-20
公開日2021-04-21
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Structural basis for backtracking by the SARS-CoV-2 replication-transcription complex.
Proc.Natl.Acad.Sci.USA, 118, 2021
5AM2
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BU of 5am2 by Molmil
ligand complex structure of soluble epoxide hydrolase
分子名称: 7-METHYL-2H-ISOQUINOLIN-1-ONE, BIFUNCTIONAL EPOXIDE HYDROLASE 2, DI(HYDROXYETHYL)ETHER, ...
著者Oster, L, Tapani, S, Xue, Y, Kack, H.
登録日2015-03-08
公開日2015-05-13
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Successful Generation of Structural Information for Fragment-Based Drug Discovery.
Drug Discov Today, 20, 2015
5XN0
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BU of 5xn0 by Molmil
HIV-1 reverse transcriptase Q151M:DNA binary complex
分子名称: 38-MER DNA aptamer, GLYCEROL, Pol protein, ...
著者Yasutake, Y, Tamura, N, Hayashi, H, Maeda, K.
登録日2017-05-17
公開日2018-02-07
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.596 Å)
主引用文献HIV-1 with HBV-associated Q151M substitution in RT becomes highly susceptible to entecavir: structural insights into HBV-RT inhibition by entecavir.
Sci Rep, 8, 2018
4RHA
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BU of 4rha by Molmil
Structure of the C-terminal domain of outer-membrane protein OmpA from Salmonella enterica subsp. enterica serovar Typhimurium str. 14028S
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, ACETIC ACID, Outer membrane protein A, ...
著者Cuff, M.E, Skarina, T, Savchenko, A, Edwards, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
登録日2014-10-01
公開日2014-10-29
最終更新日2019-12-04
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Insights into PG-binding, conformational change, and dimerization of the OmpA C-terminal domains from Salmonella enterica serovar Typhimurium and Borrelia burgdorferi.
Protein Sci., 26, 2017
5YV2
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BU of 5yv2 by Molmil
DNA polymerase IV - DNA ternary complex 14
分子名称: DNA polymerase IV, DTN1, DTN2, ...
著者Kottur, J, Nair, D.T.
登録日2017-11-23
公開日2018-09-05
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Pyrophosphate hydrolysis is an intrinsic and critical step of the DNA synthesis reaction
Nucleic Acids Res., 46, 2018
5AM3
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BU of 5am3 by Molmil
ligand complex structure of soluble epoxide hydrolase
分子名称: 4-[(trans-4-{[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]dec-1-ylcarbamoyl]amino}cyclohexyl)oxy]benzoic acid, BIFUNCTIONAL EPOXIDE HYDROLASE 2, DI(HYDROXYETHYL)ETHER, ...
著者Oster, L, Tapani, S, Xue, Y, Kack, H.
登録日2015-03-09
公開日2015-05-13
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Successful Generation of Structural Information for Fragment-Based Drug Discovery.
Drug Discov Today, 20, 2015
5YYD
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BU of 5yyd by Molmil
DNA polymerase IV - ternary complex 15
分子名称: 5'-O-[hydroxy{[hydroxy(phosphonoamino)phosphoryl]oxy}phosphoryl]thymidine, DNA polymerase IV, DTN2, ...
著者Kottur, J, Nair, D.T.
登録日2017-12-08
公開日2018-09-05
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Pyrophosphate hydrolysis is an intrinsic and critical step of the DNA synthesis reaction
Nucleic Acids Res., 46, 2018
5XRI
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BU of 5xri by Molmil
Galectin-10/Charcot-Leyden crystal protein-C29A crystal structure
分子名称: GLYCEROL, Galectin-10
著者Su, J.
登録日2017-06-08
公開日2018-01-24
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献Galectin-10: a new structural type of prototype galectin dimer and effects on saccharide ligand binding.
Glycobiology, 28, 2018
5XRO
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BU of 5xro by Molmil
Galectin-10/Charcot-Leyden crystal protein variant Q74A crystal structure
分子名称: GLYCEROL, Galectin-10
著者Su, J.
登録日2017-06-08
公開日2018-01-24
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Galectin-10: a new structural type of prototype galectin dimer and effects on saccharide ligand binding.
Glycobiology, 28, 2018
5ALM
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BU of 5alm by Molmil
ligand complex structure of soluble epoxide hydrolase
分子名称: (3R)-1-(cyclopropylmethyl)-3-methyl-3-(4-methylsulfanylphenoxy)pyrrolidine, BIFUNCTIONAL EPOXIDE HYDROLASE 2, DIMETHYL SULFOXIDE
著者Oster, L, Tapani, S, Xue, Y, Kack, H.
登録日2015-03-08
公開日2015-05-13
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Successful Generation of Structural Information for Fragment-Based Drug Discovery.
Drug Discov Today, 20, 2015
4TU3
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BU of 4tu3 by Molmil
Crystal structure of yeast Sac1/Vps74 complex
分子名称: Phosphoinositide phosphatase SAC1, Vacuolar protein sorting-associated protein 74
著者Cai, Y, Horenkamp, F.A, Reinisch, K.R.
登録日2014-06-23
公開日2014-08-27
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3.187 Å)
主引用文献Sac1-Vps74 structure reveals a mechanism to terminate phosphoinositide signaling in the Golgi apparatus.
J.Cell Biol., 206, 2014
9CAQ
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BU of 9caq by Molmil
Cryo-EM structure of a human MCM2-7 double hexamer formed from independently loaded MCM2-7 single hexamers
分子名称: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, DNA (44-MER), ...
著者Yang, R, Hunker, O, Bleichert, F.
登録日2024-06-17
公開日2024-10-02
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Multiple pathways for licensing human replication origins
To Be Published
4MB6
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BU of 4mb6 by Molmil
Crystal structure of adenine phosphoribosyltransferase from Yersinia pseudotuberculosis.
分子名称: Adenine phosphoribosyltransferase, SODIUM ION
著者Pavithra, G.C, Kim, J, Hegde, R.P, Almo, S.C, Ramagopal, U.A, New York Structural Genomics Research Consortium (NYSGRC)
登録日2013-08-19
公開日2013-09-04
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献Crystal structure of adenine phosphoribosyltransferase from Yersinia pseudotuberculosis
To be published
5AMD
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BU of 5amd by Molmil
Three dimensional structure of human carbonic anhydrase II in complex with 2-((2-Phenylethyl)sulfamoyl)-4-sulfamoylbenzoic acid
分子名称: 2-[(2-PHENYLETHYL)SULFAMOYL]-4-SULFAMOYLBENZOIC ACID, CARBONIC ANHYDRASE 2, ZINC ION
著者Leitans, J, Tars, K, Zalubovskis, R.
登録日2015-03-10
公開日2015-04-08
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献X-Ray Crystallography-Promoted Drug Design of Carbonic Anhydrase Inhibitors.
Chem.Commun.(Camb.), 51, 2015
5X4Z
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BU of 5x4z by Molmil
RNA Polymerase II from Komagataella Pastoris (Type-1 crystal)
分子名称: DNA-directed RNA polymerase subunit, DNA-directed RNA polymerase subunit beta, RNA polymerase II subunit, ...
著者Ehara, H, Umehara, T, Sekine, S, Yokoyama, S.
登録日2017-02-14
公開日2017-05-17
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (7.8 Å)
主引用文献Crystal structure of RNA polymerase II from Komagataella pastoris
Biochem. Biophys. Res. Commun., 487, 2017
7O7F
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BU of 7o7f by Molmil
Structural basis of the activation of the CC chemokine receptor 5 by a chemokine agonist
分子名称: C-C chemokine receptor type 5, C-C motif chemokine 5, Fab antibody fragment heavy chain, ...
著者Isaikina, P, Tsai, C.-J, Dietz, N.B, Pamula, F, Goldie, K.N, Schertler, G.F.X, Maier, T, Stahlberg, H, Deupi, X, Grzesiek, S.
登録日2021-04-13
公開日2021-06-30
最終更新日2024-10-23
実験手法ELECTRON MICROSCOPY (3.15 Å)
主引用文献Structural basis of the activation of the CC chemokine receptor 5 by a chemokine agonist.
Sci Adv, 7, 2021
3TB2
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BU of 3tb2 by Molmil
1-Cys peroxidoxin from Plasmodium Yoelli
分子名称: 1,2-ETHANEDIOL, 1-Cys peroxiredoxin, GLYCEROL, ...
著者Qiu, W, Artz, J.D, Vedadi, M, Sharma, S, Houston, S, Lew, J, Wasney, G, Amani, M, Xu, X, Bray, J, Sundstrom, M, Arrowsmith, C, Edwards, A, Hui, R, Bochkarev, A, Structural Genomics Consortium (SGC)
登録日2011-08-04
公開日2011-10-19
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Genome-scale protein expression and structural biology of Plasmodium falciparum and related Apicomplexan organisms.
Mol.Biochem.Parasitol., 151, 2007
7O2A
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BU of 7o2a by Molmil
X-RAY STRUCTURE OF SMYD3 IN COMPLEX WITH benzodiazepine-type inhibitor compound 15
分子名称: (2S)-1-(4-azanylpiperidin-1-yl)carbonyl-N-(2-cyclopropylethyl)-2-methyl-4-oxidanylidene-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide, Histone-lysine N-methyltransferase SMYD3, S-ADENOSYLMETHIONINE, ...
著者Steuber, H.
登録日2021-03-30
公開日2021-07-07
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.57 Å)
主引用文献Discovery of the SMYD3 Inhibitor BAY-6035 Using Thermal Shift Assay (TSA)-Based High-Throughput Screening.
Slas Discov, 26, 2021
4RQ8
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BU of 4rq8 by Molmil
Human DNA Polymerase Beta With Gapped DNA Containing an 8-oxo-7,8-dihydro-Guanine(8-oxoG) and dATP soaked with MnCl2 for 35 s
分子名称: ACETATE ION, CHLORIDE ION, DNA (5'-D(*CP*CP*GP*AP*CP*(8OG)P*GP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), ...
著者Vyas, R, Reed, A.J, Suo, Z.
登録日2014-10-31
公開日2015-04-15
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Viewing Human DNA Polymerase beta Faithfully and Unfaithfully Bypass an Oxidative Lesion by Time-Dependent Crystallography.
J.Am.Chem.Soc., 137, 2015
4RQ0
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BU of 4rq0 by Molmil
Human DNA Polymerase Beta With Gapped DNA Containing an 8-oxo-7,8-dihydro-Guanine (8-oxoG)and dCTP soaked with MgCl2 for 80 s
分子名称: 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, ACETATE ION, CHLORIDE ION, ...
著者Vyas, R, Suo, Z.
登録日2014-10-31
公開日2015-04-15
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Viewing Human DNA Polymerase beta Faithfully and Unfaithfully Bypass an Oxidative Lesion by Time-Dependent Crystallography.
J.Am.Chem.Soc., 137, 2015

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件を2024-11-13に公開中

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