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6VTU
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DH717.1 Fab monomer in complex with man9 glycan
分子名称: DH717.1 heavy chain, DH717.1 light chain, GLYCEROL, ...
著者Fera, D, Bronkema, N.
登録日2020-02-13
公開日2020-12-30
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.61 Å)
主引用文献Fab-dimerized glycan-reactive antibodies are a structural category of natural antibodies.
Cell, 184, 2021
6VXG
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BU of 6vxg by Molmil
Structure of the C-terminal Domain of RAGE and Its Inhibitor
分子名称: Advanced glycosylation end product-specific receptor, N-(4-{7-cyano-4-[(morpholin-4-yl)methyl]quinolin-2-yl}phenyl)acetamide
著者Ramirez, L, Shekhtman, A.
登録日2020-02-21
公開日2021-02-24
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Small-molecule antagonism of the interaction of the RAGE cytoplasmic domain with DIAPH1 reduces diabetic complications in mice.
Sci Transl Med, 13, 2021
5ZVD
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The crystal structure of NSun6 from Pyrococcus horikoshii
分子名称: 389aa long hypothetical nucleolar protein
著者Li, J, Liu, R.J, Wang, E.D.
登録日2018-05-10
公開日2018-12-12
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.594 Å)
主引用文献Archaeal NSUN6 catalyzes m5C72 modification on a wide-range of specific tRNAs.
Nucleic Acids Res., 47, 2019
7DM2
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BU of 7dm2 by Molmil
crystal structure of the M. tuberculosis phosphate ABC transport receptor PstS-1 in complex with Fab p4-170
分子名称: PHOSPHATE ION, Phosphate-binding protein PstS 1, heavy chain, ...
著者Ma, B, Freund, N, Xiang, Y.
登録日2020-12-01
公開日2020-12-23
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Human antibodies targeting a Mycobacterium transporter protein mediate protection against tuberculosis.
Nat Commun, 12, 2021
7DM1
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BU of 7dm1 by Molmil
crystal structure of the M.tuberculosis phosphate ABC transport receptor PstS-1 in complex with Fab p4-36
分子名称: PHOSPHATE ION, Phosphate-binding protein PstS 1, heavy chain, ...
著者Ma, B, Freund, N, Xiang, Y.
登録日2020-12-01
公開日2020-12-23
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Human antibodies targeting a Mycobacterium transporter protein mediate protection against tuberculosis.
Nat Commun, 12, 2021
5ZVG
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BU of 5zvg by Molmil
The crystal structure of NSun6 from Pyrococcus horikoshii with SAM
分子名称: 389aa long hypothetical nucleolar protein, S-ADENOSYLMETHIONINE
著者Li, J, Liu, R.J, Wang, E.D.
登録日2018-05-10
公開日2018-12-12
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Archaeal NSUN6 catalyzes m5C72 modification on a wide-range of specific tRNAs.
Nucleic Acids Res., 47, 2019
5ZVE
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BU of 5zve by Molmil
The crystal structure of NSun6 from Pyrococcus horikoshii with SAH
分子名称: 389aa long hypothetical nucleolar protein, S-ADENOSYL-L-HOMOCYSTEINE
著者Li, J, Liu, R.J, Wang, E.D.
登録日2018-05-10
公開日2018-12-12
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.178 Å)
主引用文献Archaeal NSUN6 catalyzes m5C72 modification on a wide-range of specific tRNAs.
Nucleic Acids Res., 47, 2019
5ZVH
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BU of 5zvh by Molmil
The crystal structure of NSun6 from Pyrococcus horikoshii with SFG
分子名称: 389aa long hypothetical nucleolar protein, SINEFUNGIN
著者Li, J, Liu, R.J, Wang, E.D.
登録日2018-05-10
公開日2018-12-12
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Archaeal NSUN6 catalyzes m5C72 modification on a wide-range of specific tRNAs.
Nucleic Acids Res., 47, 2019
4Q0I
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BU of 4q0i by Molmil
Deinococcus radiodurans BphP PAS-GAF D207A mutant
分子名称: 3-[2-[(Z)-[3-(2-carboxyethyl)-5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-pyrrol-1-ium-2-ylidene]methyl]-5-[(Z)-[(3E)-3-ethylidene-4-methyl-5-oxidanylidene-pyrrolidin-2-ylidene]methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid, Bacteriophytochrome, ISOPROPYL ALCOHOL
著者Burgie, E.S, Vierstra, R.D.
登録日2014-04-02
公開日2014-07-16
最終更新日2014-09-17
実験手法X-RAY DIFFRACTION (1.744 Å)
主引用文献Crystallographic and Electron Microscopic Analyses of a Bacterial Phytochrome Reveal Local and Global Rearrangements during Photoconversion.
J.Biol.Chem., 289, 2014
5I8N
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BU of 5i8n by Molmil
Solution Structure of human calcium-binding S100A9 (C3S) protein
分子名称: Protein S100-A9
著者Chang, C.-C, Chin, Y.
登録日2016-02-19
公開日2016-08-31
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Blocking the interaction between S100A9 and RAGE V domain using CHAPS molecule: A novel route to drug development against cell proliferation
Biochim.Biophys.Acta, 1864, 2016
4Q0J
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BU of 4q0j by Molmil
Deinococcus radiodurans BphP photosensory module
分子名称: 3-[2-[(Z)-[3-(2-carboxyethyl)-5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-pyrrol-1-ium-2-ylidene]methyl]-5-[(Z)-[(3E)-3-ethylidene-4-methyl-5-oxidanylidene-pyrrolidin-2-ylidene]methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid, Bacteriophytochrome
著者Burgie, E.S, Vierstra, R.D.
登録日2014-04-02
公開日2014-07-16
最終更新日2014-09-17
実験手法X-RAY DIFFRACTION (2.747 Å)
主引用文献Crystallographic and Electron Microscopic Analyses of a Bacterial Phytochrome Reveal Local and Global Rearrangements during Photoconversion.
J.Biol.Chem., 289, 2014
4Q0H
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BU of 4q0h by Molmil
Deinococcus radiodurans BphP PAS-GAF
分子名称: 3-[2-[(Z)-[3-(2-carboxyethyl)-5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-pyrrol-1-ium -2-ylidene]methyl]-5-[(Z)-[(3E)-3-ethylidene-4-methyl-5-oxidanylidene-pyrrolidin-2-ylidene]methyl]-4-methyl-1H-pyrrol-3- yl]propanoic acid, Bacteriophytochrome, CHLORIDE ION, ...
著者Burgie, E.S, Vierstra, R.D.
登録日2014-04-02
公開日2014-07-16
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.157 Å)
主引用文献Crystallographic and Electron Microscopic Analyses of a Bacterial Phytochrome Reveal Local and Global Rearrangements during Photoconversion.
J.Biol.Chem., 289, 2014
4Y52
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BU of 4y52 by Molmil
Crystal structure of 5-Carboxycytosine Recognition by RNA Polymerase II during Transcription Elongation.
分子名称: DNA (29-MER), DNA (5'-D(*CP*TP*GP*CP*TP*TP*AP*TP*CP*GP*GP*TP*AP*G)-3'), DNA-directed RNA polymerase II subunit RPB1, ...
著者Wang, L, Chong, J, Wang, D.
登録日2015-02-11
公開日2015-07-15
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Molecular basis for 5-carboxycytosine recognition by RNA polymerase II elongation complex.
Nature, 523, 2015
4YDV
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BU of 4ydv by Molmil
STRUCTURE OF THE ANTIBODY 7B2 THAT CAPTURES HIV-1 VIRIONS
分子名称: HIV ANTIBODY 7B2 HEAVY CHAIN,IgG H chain, HIV ANTIBODY 7B2 LIGHT CHAIN,Ig kappa chain C region, HIV GP41 PEPTIDE GP41(596-606)
著者Nicely, N.I, Pemble IV, C.W.
登録日2015-02-23
公開日2015-08-12
最終更新日2021-03-24
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Human Non-neutralizing HIV-1 Envelope Monoclonal Antibodies Limit the Number of Founder Viruses during SHIV Mucosal Infection in Rhesus Macaques.
Plos Pathog., 11, 2015
4QT1
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BU of 4qt1 by Molmil
JAK3 kinase domain in complex with 1-[(3S)-1-isobutylsulfonyl-3-piperidyl]-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)urea
分子名称: 1-{(3S)-1-[(2-methylpropyl)sulfonyl]piperidin-3-yl}-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)urea, Tyrosine-protein kinase JAK3
著者Kuglstatter, A, Shao, A.
登録日2014-07-07
公開日2015-05-27
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Scaffold hopping towards potent and selective JAK3 inhibitors: discovery of novel C-5 substituted pyrrolopyrazines
Bioorg.Med.Chem.Lett., 24, 2014
3ZC6
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BU of 3zc6 by Molmil
Crystal structure of JAK3 kinase domain in complex with an indazole substituted pyrrolopyrazine inhibitor
分子名称: CHLORIDE ION, DI(HYDROXYETHYL)ETHER, N-[(2R)-1-(3-cyanoazetidin-1-yl)-1-oxidanylidene-propan-2-yl]-2-(6-fluoranyl-1-methyl-indazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide, ...
著者Kuglstatter, A, Jestel, A, Nagel, S, Boettcher, J, Blaesse, M.
登録日2012-11-16
公開日2013-09-25
実験手法X-RAY DIFFRACTION (2.42 Å)
主引用文献Strategic Use of Conformational Bias and Structure Based Design to Identify Potent Jak3 Inhibitors with Improved Selectivity Against the Jak Family and the Kinome.
Bioorg.Med.Chem.Lett., 23, 2013
4X0S
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BU of 4x0s by Molmil
Hexamer formed by a macrocycle containing a sequence from beta-2-microglobulin (63-69).
分子名称: CHLORIDE ION, ORN-TYR-LEU-LEU-PHI-TYR-VAL-GLU-ORN-LYS-VAL-ALA-MAA-ALA-VAL-LYS, SODIUM ION, ...
著者Spencer, R.K, Salveson, P.J, Nowick, J.S.
登録日2014-11-23
公開日2015-05-06
最終更新日2019-12-25
実験手法X-RAY DIFFRACTION (2.032 Å)
主引用文献X-ray Crystallographic Structures of Oligomers of Peptides Derived from beta 2-Microglobulin.
J.Am.Chem.Soc., 137, 2015
4WKY
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BU of 4wky by Molmil
Streptomcyes albus JA3453 oxazolomycin ketosynthase domain OzmN KS2
分子名称: 1,2-ETHANEDIOL, Beta-ketoacyl synthase, GLYCEROL, ...
著者Cuff, M.E, Mack, J.C, Endres, M, Babnigg, G, Bingman, C.A, Yennamalli, R, Lohman, J.R, Ma, M, Shen, B, Phillips Jr, G.N, Joachimiak, A, Midwest Center for Structural Genomics (MCSG), Enzyme Discovery for Natural Product Biosynthesis (NatPro)
登録日2014-10-03
公開日2014-10-29
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural and evolutionary relationships of "AT-less" type I polyketide synthase ketosynthases.
Proc.Natl.Acad.Sci.USA, 112, 2015
4Z7P
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BU of 4z7p by Molmil
X-ray structure of racemic ShK Q16K toxin
分子名称: Potassium channel toxin kappa-stichotoxin-She1a, SULFATE ION
著者Sickmier, E.A.
登録日2015-04-07
公開日2015-09-09
最終更新日2015-09-23
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Pharmaceutical Optimization of Peptide Toxins for Ion Channel Targets: Potent, Selective, and Long-Lived Antagonists of Kv1.3.
J.Med.Chem., 58, 2015
4TYO
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BU of 4tyo by Molmil
PPIase in complex with a non-phosphate small molecule inhibitor.
分子名称: 3-(6-fluoro-1H-benzimidazol-2-yl)-N-(naphthalen-2-ylcarbonyl)-D-alanine, GLYCEROL, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1
著者Greasley, S.E, Ferre, R.A.
登録日2014-07-08
公開日2014-08-20
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Structure-based design of novel human Pin1 inhibitors (III): Optimizing affinity beyond the phosphate recognition pocket.
Bioorg.Med.Chem.Lett., 24, 2014
4Y7N
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BU of 4y7n by Molmil
The Structure Insight into 5-Carboxycytosine Recognition by RNA Polymerase II during Transcription Elongation.
分子名称: DNA (29-MER), DNA (5'-D(*CP*TP*GP*CP*TP*TP*AP*TP*CP*GP*GP*TP*AP*G)-3'), DNA-directed RNA polymerase II subunit RPB1, ...
著者Wang, L, Chong, J, Wang, D.
登録日2015-02-15
公開日2015-07-15
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Molecular basis for 5-carboxycytosine recognition by RNA polymerase II elongation complex.
Nature, 523, 2015
5KUP
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BU of 5kup by Molmil
Bruton's tyrosine kinase (BTK) with pyridazinone compound 9
分子名称: 2-(2-METHOXYETHOXY)ETHANOL, 6-~{tert}-butyl-8-fluoranyl-2-[3-(hydroxymethyl)-4-[1-methyl-6-oxidanylidene-5-(pyrimidin-4-ylamino)pyridin-3-yl]pyridin-2-yl]phthalazin-1-one, GLYCEROL, ...
著者Eigenbrot, C, Yu, C.
登録日2016-07-13
公開日2016-09-14
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.389 Å)
主引用文献Battling Btk Mutants With Noncovalent Inhibitors That Overcome Cys481 and Thr474 Mutations.
Acs Chem.Biol., 11, 2016
4U3F
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BU of 4u3f by Molmil
Cytochrome bc1 complex from chicken with designed inhibitor bound
分子名称: 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CARDIOLIPIN, ...
著者Huang, L.-S, Zhu, X.-L, Yang, G.F, Berry, E.A.
登録日2014-07-21
公開日2015-07-29
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3.2312 Å)
主引用文献Rational Design of Highly Potent and Slow-Binding Cytochrome bc1 Inhibitor as Fungicide by Computational Substitution Optimization
Sci Rep, 5, 2015
4ZHQ
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BU of 4zhq by Molmil
Crystal structure of Tubulin-Stathmin-TTL-MMAE Complex
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GLYCEROL, ...
著者Wang, Y, Zhang, R.
登録日2015-04-26
公開日2016-07-27
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Structural Insights into the Pharmacophore of Vinca Domain Inhibitors of Microtubules
Mol.Pharmacol., 89, 2016
4ZI7
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BU of 4zi7 by Molmil
CRYSTAL STRUCTURE OF TUBULIN-STATHMIN-TTL-HTI286 COMPLEX
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GLYCEROL, ...
著者Wang, Y, Zhang, R.
登録日2015-04-27
公開日2016-07-27
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.51 Å)
主引用文献Structural Insights into the Pharmacophore of Vinca Domain Inhibitors of Microtubules
Mol.Pharmacol., 89, 2016

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