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5WFJ
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THE JAK3 KINASE DOMAIN IN COMPLEX WITH A COVALENT INHIBITOR
分子名称: 4-({[3-(propanoylamino)phenyl]methyl}amino)pyrrolo[1,2-b]pyridazine-3-carboxamide, Tyrosine-protein kinase JAK3
著者Sack, J.
登録日2017-07-12
公開日2017-10-04
最終更新日2017-10-11
実験手法X-RAY DIFFRACTION (2.48 Å)
主引用文献Discovery of highly potent, selective, covalent inhibitors of JAK3.
Bioorg. Med. Chem. Lett., 27, 2017
8BZY
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BU of 8bzy by Molmil
Structure of SLC40/ferroportin in complex with vamifeport and synthetic nanobody Sy3 in occluded conformation
分子名称: 2-[2-[2-(1~{H}-benzimidazol-2-yl)ethylamino]ethyl]-~{N}-[(3-fluoranylpyridin-2-yl)methyl]-1,3-oxazole-4-carboxamide, DIUNDECYL PHOSPHATIDYL CHOLINE, Solute carrier family 40 member 1, ...
著者Lehmann, E.F, Liziczai, M, Drozdzyk, K, Dutzler, R, Manatschal, C.
登録日2022-12-15
公開日2023-03-22
最終更新日2023-05-24
実験手法ELECTRON MICROSCOPY (3.24 Å)
主引用文献Structures of ferroportin in complex with its specific inhibitor vamifeport.
Elife, 12, 2023
8C02
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Structure of SLC40/ferroportin in complex with synthetic nanobody Sy3 in occluded conformation
分子名称: Solute carrier family 40 member 1, Sybody3
著者Lehmann, E.F, Liziczai, M, Drozdzyk, K, Dutzler, R, Manatschal, C.
登録日2022-12-15
公開日2023-03-22
最終更新日2023-03-29
実験手法ELECTRON MICROSCOPY (4.09 Å)
主引用文献Structures of ferroportin in complex with its specific inhibitor vamifeport.
Elife, 12, 2023
8COA
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BU of 8coa by Molmil
in situ Subtomogram average of Immature Rotavirus TLP spike
分子名称: Intermediate capsid protein VP6, Outer capsid glycoprotein VP7, Outer capsid protein VP4
著者Shah, P.N.M, Stuart, D.I.
登録日2023-02-27
公開日2023-04-05
最終更新日2023-04-26
実験手法ELECTRON MICROSCOPY (4.5 Å)
主引用文献Characterization of the rotavirus assembly pathway in situ using cryoelectron tomography.
Cell Host Microbe, 31, 2023
3LAK
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BU of 3lak by Molmil
Crystal structure of HIV-1 reverse transcriptase in complex with N1-heterocycle pyrimidinedione non-nucleoside inhibitor
分子名称: 3-({3-[(2-amino-6-fluoropyridin-4-yl)methyl]-5-(1-methylethyl)-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl}carbonyl)-5-methylbenzonitrile, CHLORIDE ION, HIV Reverse transcriptase, ...
著者Lansdon, E.B, Mitchell, M.L.
登録日2010-01-06
公開日2010-02-23
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献N1-Heterocyclic pyrimidinediones as non-nucleoside inhibitors of HIV-1 reverse transcriptase.
Bioorg.Med.Chem.Lett., 20, 2010
4Z1Z
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BU of 4z1z by Molmil
Crystal Structure of Meganuclease I-SmaMI Bound to Uncleaveable DNA with a TTCT Central Four
分子名称: CALCIUM ION, DNA (28-MER), GLYCEROL, ...
著者Hallinan, J.P, Stoddard, B.L.
登録日2015-03-27
公開日2016-03-30
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Indirect DNA Sequence Recognition and Its Impact on Nuclease Cleavage Activity.
Structure, 24, 2016
4Z20
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BU of 4z20 by Molmil
Crystal Structure of Meganuclease I-SmaMI Bound to Uncleaveable DNA with a TTGT Central Four
分子名称: CALCIUM ION, DNA (26-MER), GLYCEROL, ...
著者Hallinan, J.P, Stoddard, B.L.
登録日2015-03-27
公開日2016-03-30
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Indirect DNA Sequence Recognition and Its Impact on Nuclease Cleavage Activity.
Structure, 24, 2016
5WJI
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BU of 5wji by Molmil
Crystal structure of the F61S mutant of HsNUDT16
分子名称: ACETIC ACID, CHLORIDE ION, SULFATE ION, ...
著者Thirawatananond, P, Gabelli, S.B.
登録日2017-07-23
公開日2018-10-24
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural analyses of NudT16-ADP-ribose complexes direct rational design of mutants with improved processing of poly(ADP-ribosyl)ated proteins.
Sci Rep, 9, 2019
5WJZ
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BU of 5wjz by Molmil
Cryo-EM structure of B. subtilis flagellar filaments E115G
分子名称: Flagellin
著者Wang, F, Burrage, A.M, Orlova, A, Kearns, D.B, Egelman, E.H.
登録日2017-07-24
公開日2017-10-25
最終更新日2024-03-13
実験手法ELECTRON MICROSCOPY (5.7 Å)
主引用文献A structural model of flagellar filament switching across multiple bacterial species.
Nat Commun, 8, 2017
3LJ3
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BU of 3lj3 by Molmil
PI3-kinase-gamma with a pyrrolopyridine-benzofuran inhibitor
分子名称: (2Z)-4,6-dihydroxy-2-{[1-methyl-4-(4-methylpiperazin-1-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methylidene}-1-benzofuran-3(2H)-one, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION
著者Bard, J, Svenson, K.
登録日2010-01-25
公開日2010-04-14
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.43 Å)
主引用文献Discovery and optimization of 2-(4-substituted-pyrrolo[2,3-b]pyridin-3-yl)methylene-4-hydroxybenzofuran-3(2H)-ones as potent and selective ATP-competitive inhibitors of the mammalian target of rapamycin (mTOR).
Bioorg.Med.Chem.Lett., 20, 2010
4YZU
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BU of 4yzu by Molmil
Rapid development of two Factor IXa inhibitors from Hit to Lead
分子名称: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, CHLORIDE ION, Coagulation factor IX, ...
著者Hruza, A, Reichert, P.
登録日2015-03-25
公開日2015-05-20
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.41 Å)
主引用文献Rapid development of two factor IXa inhibitors from hit to lead.
Bioorg.Med.Chem.Lett., 25, 2015
8CDK
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BU of 8cdk by Molmil
CAND1 b-hairpin++-SCF-SKP2 CAND1 partly engaged SCF partly rocked
分子名称: Cullin-1, Cullin-associated NEDD8-dissociated protein 1, E3 ubiquitin-protein ligase RBX1, ...
著者Baek, K, Schulman, B.A.
登録日2023-01-31
公開日2023-04-19
最終更新日2023-05-10
実験手法ELECTRON MICROSCOPY (3.32 Å)
主引用文献Systemwide disassembly and assembly of SCF ubiquitin ligase complexes.
Cell, 186, 2023
5WNR
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BU of 5wnr by Molmil
Crystal Structure of 30S ribosomal subunit from Thermus thermophilus
分子名称: 16S Ribosomal RNA rRNA, 30S ribosomal protein S10, 30S ribosomal protein S11, ...
著者DeMirci, H.
登録日2017-08-01
公開日2018-02-21
最終更新日2020-10-21
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献2'-O-methylation in mRNA disrupts tRNA decoding during translation elongation.
Nat. Struct. Mol. Biol., 25, 2018
8CDJ
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BU of 8cdj by Molmil
CAND1 b-hairpin++-SCF-SKP2 CAND1 rolling SCF engaged
分子名称: Cullin-1, Cullin-associated NEDD8-dissociated protein 1, E3 ubiquitin-protein ligase RBX1, ...
著者Baek, K, Schulman, B.A.
登録日2023-01-31
公開日2023-04-19
最終更新日2023-05-10
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Systemwide disassembly and assembly of SCF ubiquitin ligase complexes.
Cell, 186, 2023
1NZY
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BU of 1nzy by Molmil
4-CHLOROBENZOYL COENZYME A DEHALOGENASE FROM PSEUDOMONAS SP. STRAIN CBS-3
分子名称: 1,2-ETHANEDIOL, 4-CHLOROBENZOYL COENZYME A DEHALOGENASE, 4-HYDROXYBENZOYL COENZYME A, ...
著者Benning, M.M, Holden, H.M.
登録日1996-04-02
公開日1997-07-07
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure of 4-chlorobenzoyl coenzyme A dehalogenase determined to 1.8 A resolution: an enzyme catalyst generated via adaptive mutation.
Biochemistry, 35, 1996
5W8A
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BU of 5w8a by Molmil
The structure of a COA-dependent acyl-homoserine lactone synthase, BjaI, with SAM and isopentyl-CoA
分子名称: Autoinducer synthase, S-ADENOSYLMETHIONINE, isopentyl-Coenzyme A
著者Dong, S.-H, Nair, S.K.
登録日2017-06-21
公開日2017-08-23
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Molecular basis for the substrate specificity of quorum signal synthases.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
3HVK
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BU of 3hvk by Molmil
Rat catechol O-methyltransferase in complex with a catechol-type, purine-containing bisubstrate inhibitor - humanized form
分子名称: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, CHLORIDE ION, Catechol O-methyltransferase, ...
著者Ehler, A, Schlatter, D, Stihle, M, Benz, J, Rudolph, M.G.
登録日2009-06-16
公開日2009-10-13
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Molecular recognition at the active site of catechol-o-methyltransferase: energetically favorable replacement of a water molecule imported by a bisubstrate inhibitor.
Angew.Chem.Int.Ed.Engl., 48, 2009
2XFG
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BU of 2xfg by Molmil
Reassembly and co-crystallization of a family 9 processive endoglucanase from separately expressed GH9 and CBM3c modules
分子名称: CALCIUM ION, CHLORIDE ION, ENDOGLUCANASE 1
著者Petkun, S, Lamed, R, Jindou, S, Burstein, T, Yaniv, O, Shoham, Y, Shimon, J.W.L, Bayer, E.A, Frolow, F.
登録日2010-05-24
公開日2011-06-22
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.679 Å)
主引用文献Reassembly and Co-Crystallization of a Family 9 Processive Endoglucanase from its Component Parts: Structural and Functional Significance of Intermodular Linker
Peerj, 3, 2015
2Y25
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BU of 2y25 by Molmil
Crystal structure of the myomesin domains My11-My13
分子名称: MYOMESIN
著者Pinotsis, N, Chatziefthimiou, S.D, Wilmanns, M.
登録日2010-12-13
公開日2011-12-21
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Superhelical Architecture of the Myosin Filament-Linking Protein Myomesin with Unusual Elastic Properties.
Plos Biol., 10, 2012
2XUU
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BU of 2xuu by Molmil
Crystal structure of a DAP-kinase 1 mutant
分子名称: ADENOSINE-5'-DIPHOSPHATE, DEATH-ASSOCIATED PROTEIN KINASE 1, MAGNESIUM ION, ...
著者de Diego, I, Kuper, J, Lehmann, F, Wilmanns, M.
登録日2010-10-21
公開日2011-11-02
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献A Pef/Y Substrate Recognition and Signature Motif Plays a Critical Role in Dapk-Related Kinase Activity.
Chem.Biol., 21, 2014
3HWK
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BU of 3hwk by Molmil
Crystal structure of methylcitrate synthase from Mycobacterium tuberculosis
分子名称: Methylcitrate synthase, SUCCINIC ACID
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2009-06-17
公開日2009-06-30
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Increasing the structural coverage of tuberculosis drug targets.
Tuberculosis (Edinb), 95, 2015
1Y6X
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BU of 1y6x by Molmil
The 1.25 A resolution structure of phosphoribosyl-ATP pyrophosphohydrolase from Mycobacterium tuberculosis
分子名称: Phosphoribosyl-ATP pyrophosphatase
著者Javid-Majd, F, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
登録日2004-12-07
公開日2005-03-01
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献The 1.25 A resolution structure of phosphoribosyl-ATP pyrophosphohydrolase from Mycobacterium tuberculosis.
Acta Crystallogr.,Sect.D, 64, 2008
5ZEC
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BU of 5zec by Molmil
Crystal structure of Kluyveromyces polyspora ADH (KpADH) mutant (Q136N/F161V/S196G/E214G/S237C)
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, ETHANOL, ...
著者Wang, Y, ZHou, J.Y, Hou, X.D, Xu, G.C, Rao, Y.J, Wu, L, Zhou, J.H, Ni, Y.
登録日2018-02-27
公開日2019-01-02
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.779 Å)
主引用文献Structural Insight into Enantioselective Inversion of an Alcohol Dehydrogenase Reveals a "Polar Gate" in Stereorecognition of Diaryl Ketones.
J. Am. Chem. Soc., 140, 2018
7Y70
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RLGSGG-AtPRT6 UBR box (P4332)
分子名称: E3 ubiquitin-protein ligase PRT6, ZINC ION
著者Kim, L, Song, H.K.
登録日2022-06-21
公開日2023-07-05
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.801 Å)
主引用文献Structural analyses of plant PRT6-UBR box for Cys-Arg/N-degron pathway and insights into the plant submergence resistance
To Be Published
7XWD
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BU of 7xwd by Molmil
Apo-AtPRT6 UBR box
分子名称: E3 ubiquitin-protein ligase PRT6, ZINC ION
著者Kim, L, Song, H.K.
登録日2022-05-26
公開日2023-05-31
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.396 Å)
主引用文献Structural analyses of plant PRT6-UBR box for Cys-Arg/N-degron pathway and insights into the plant submergence resistance
To Be Published

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