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PDB: 42254 件

2VD7
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Crystal Structure of JMJD2A complexed with inhibitor Pyridine-2,4- dicarboxylic acid
分子名称: JMJC DOMAIN-CONTAINING HISTONE DEMETHYLATION PROTEIN 3A, NICKEL (II) ION, PYRIDINE-2,4-DICARBOXYLIC ACID, ...
著者Ng, S.S, von Delft, F, Pilka, E.S, Kavanagh, K.L, McDonough, M.A, Savitsky, P, Arrowsmith, C.H, Weigelt, J, Edwards, A, Sundstrom, M, Schofield, C.J, Oppermann, U.
登録日2007-10-01
公開日2007-11-27
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Inhibitor scaffolds for 2-oxoglutarate-dependent histone lysine demethylases.
J. Med. Chem., 51, 2008
5H56
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ADP and dTDP bound Crystal structure of thymidylate kinase (aq_969) from Aquifex Aeolicus VF5
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, ADENOSINE-5'-DIPHOSPHATE, CALCIUM ION, ...
著者Biswas, A, Jeyakanthan, J, Sekar, K, Kuramitsu, S, Yokoyama, S.
登録日2016-11-04
公開日2017-06-28
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural studies of a hyperthermophilic thymidylate kinase enzyme reveal conformational substates along the reaction coordinate
FEBS J., 284, 2017
3UUE
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Crystal structure of mono- and diacylglycerol lipase from Malassezia globosa
分子名称: CHLORIDE ION, GLYCEROL, LIP1, ...
著者Xu, T, Xu, J, Hou, S, Liu, J.
登録日2011-11-28
公開日2012-04-25
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Crystal structure of a mono- and diacylglycerol lipase from Malassezia globosa reveals a novel lid conformation and insights into the substrate specificity.
J.Struct.Biol., 178, 2012
5GOO
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BU of 5goo by Molmil
Crystal structure of alkaline invertase InvA from Anabaena sp. PCC 7120 complexed with fructose
分子名称: Alkaline Invertase, GLYCEROL, beta-D-fructofuranose
著者Xie, J, Cai, K, Hu, H.X, Jiang, Y.L, Yang, F, Hu, P.F, Chen, Y, Zhou, C.Z.
登録日2016-07-28
公開日2016-11-02
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.11 Å)
主引用文献Structural Analysis of the Catalytic Mechanism and Substrate Specificity of Anabaena Alkaline Invertase InvA Reveals a Novel Glucosidase.
J. Biol. Chem., 291, 2016
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
4OPE
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BU of 4ope by Molmil
Streptomcyes albus JA3453 oxazolomycin ketosynthase domain OzmH KS7
分子名称: NITRATE ION, NRPS/PKS
著者Osipiuk, J, Mack, J, 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2014-02-05
公開日2014-02-19
最終更新日2018-01-24
実験手法X-RAY DIFFRACTION (2.58 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
4A61
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ParM from plasmid R1 in complex with AMPPNP
分子名称: MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, PLASMID SEGREGATION PROTEIN PARM
著者van den Ent, F, Moller-Jensen, J, Gayathri, P, Lowe, J.
登録日2011-10-31
公開日2012-11-07
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献A Bipolar Spindle of Antiparallel Parm Filaments Drives Bacterial Plasmid Segregation.
Science, 338, 2012
3TI5
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BU of 3ti5 by Molmil
Crystal structure of 2009 pandemic H1N1 neuraminidase complexed with Zanamivir
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, CALCIUM ION, ...
著者Vavricka, C.J, Li, Q, Wu, Y, Qi, J, Wang, M, Liu, Y, Gao, F, Liu, J, Feng, E, He, J, Wang, J, Liu, H, Jiang, H, Gao, G.F.
登録日2011-08-20
公開日2011-11-16
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural and functional analysis of laninamivir and its octanoate prodrug reveals group specific mechanisms for influenza NA inhibition
Plos Pathog., 7, 2011
3TI6
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Crystal structure of 2009 pandemic H1N1 neuraminidase complexed with oseltamivir
分子名称: (3R,4R,5S)-4-(acetylamino)-5-amino-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, ...
著者Vavricka, C.J, Li, Q, Wu, Y, Qi, J, Wang, M, Liu, Y, Gao, F, Liu, J, Feng, E, He, J, Wang, J, Liu, H, Jiang, H, Gao, G.F.
登録日2011-08-20
公開日2011-11-23
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献Structural and functional analysis of laninamivir and its octanoate prodrug reveals group specific mechanisms for influenza NA inhibition
Plos Pathog., 7, 2011
3OF1
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BU of 3of1 by Molmil
Crystal Structure of Bcy1, the Yeast Regulatory Subunit of PKA
分子名称: ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, cAMP-dependent protein kinase regulatory subunit
著者Rinaldi, J, Wu, J, Yang, J, Ralston, C.Y, Sankaran, B, Moreno, S, Taylor, S.S.
登録日2010-08-13
公開日2010-12-01
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献Structure of Yeast Regulatory Subunit: A Glimpse into the Evolution of PKA Signaling.
Structure, 18, 2010
3L3J
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BU of 3l3j by Molmil
Crystal structure of HLA-B*4402 in complex with the F3A/R5A double mutant of a self-peptide derived from DPA*0201
分子名称: ACETATE ION, Beta-2-microglobulin, HLA class I histocompatibility antigen, ...
著者Theodossis, A, Ely, L.K, Rossjohn, J.
登録日2009-12-17
公開日2010-03-16
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Constraints within major histocompatibility complex class I restricted peptides: presentation and consequences for T-cell recognition
Proc.Natl.Acad.Sci.USA, 107, 2010
3L3U
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Crystal structure of the HIV-1 integrase core domain to 1.4A
分子名称: POL polyprotein, SULFATE ION
著者Wielens, J, Chalmers, D.K, Scanlon, M.J, Parker, M.W.
登録日2009-12-17
公開日2010-03-31
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Crystal structure of the HIV-1 integrase core domain in complex with sucrose reveals details of an allosteric inhibitory binding site.
Febs Lett., 584, 2010
5GYQ
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Putative receptor-binding domain of bat-derived coronavirus HKU9 spike protein
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein
著者Huang, C, Qi, J, Gao, G.F.
登録日2016-09-23
公開日2016-10-26
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Putative Receptor Binding Domain of Bat-Derived Coronavirus HKU9 Spike Protein: Evolution of Betacoronavirus Receptor Binding Motifs
Biochemistry, 55, 2016
4AHV
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BU of 4ahv by Molmil
Parallel screening of a low molecular weight compound library: do differences in methodology affect hit identification
分子名称: 1,2-ETHANEDIOL, 1-[2-(1H-pyrazol-1-yl)phenyl]methanamine, ACETIC ACID, ...
著者Wielens, J, Heady, S.J, Rhodes, D.I, Mulder, R.J, Dolezal, O, Deadman, J.J, Newman, J, Chalmers, D.K, Parker, M.W, Peat, T.S, Scanlon, M.J.
登録日2012-02-07
公開日2012-12-19
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Parallel Screening of Low Molecular Weight Fragment Libraries: Do Differences in Methodology Affect Hit Identification?
J.Biomol.Screen, 18, 2013
2Z6G
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BU of 2z6g by Molmil
Crystal Structure of a Full-Length Zebrafish Beta-Catenin
分子名称: B-catenin
著者Xing, Y, Takemaru, K, Liu, J, Zheng, J, Moon, R, Xu, W.
登録日2007-08-01
公開日2008-02-12
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (3.4 Å)
主引用文献Crystal Structure of a Full-Length beta-Catenin
Structure, 16, 2008
3F0W
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BU of 3f0w by Molmil
Human NUMB-like protein, phosphotyrosine interaction domain
分子名称: CHLORIDE ION, Numb-like protein, SULFATE ION
著者Lehtio, L, Moche, M, Andersson, J, Arrowsmith, C.H, Berglund, H, Bountra, C, D Busam, R, Collins, R, Dahlgren, L.G, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, A, Johansson, I, Karlberg, T, Kotenyova, T, Nilsson, M.E, Nyman, T, Persson, C, Sagemark, J, Schueler, H, Thorsell, A.G, Tresaugues, L, Van Den Berg, S, Weigelt, J, Welin, M, Wikstrom, M, Wisniewska, M, Nordlund, P, Structural Genomics Consortium (SGC)
登録日2008-10-27
公開日2008-11-04
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Human NUMB-like protein, phosphotyrosine interaction domain
To be Published
4S38
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BU of 4s38 by Molmil
IspG in complex MEcPP
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2C-METHYL-D-ERYTHRITOL 2,4-CYCLODIPHOSPHATE, 4-hydroxy-3-methylbut-2-en-1-yl diphosphate synthase, ...
著者Quitterer, F, Frank, A, Wang, K, Guodong, R, O'Dowd, B, Li, J, Guerra, F, Abdel-Azeim, S, Bacher, A, Eppinger, J, Oldfield, E, Groll, M.
登録日2015-01-26
公開日2015-04-29
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Atomic-Resolution Structures of Discrete Stages on the Reaction Coordinate of the [Fe4S4] Enzyme IspG (GcpE).
J.Mol.Biol., 427, 2015
2XB2
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Crystal structure of the core Mago-Y14-eIF4AIII-Barentsz-UPF3b assembly shows how the EJC is bridged to the NMD machinery
分子名称: EUKARYOTIC INITIATION FACTOR 4A-III, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
著者Buchwald, G, Ebert, J, Basquin, C, Sauliere, J, Jayachandran, U, Bono, F, Le Hir, H, Conti, E.
登録日2010-04-03
公開日2010-05-12
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (3.4 Å)
主引用文献Insights Into the Recruitment of the Nmd Machinery from the Crystal Structure of a Core Ejc-Upf3B Complex.
Proc.Natl.Acad.Sci.USA, 107, 2010
4S3D
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IspG in complex with PPi
分子名称: 4-hydroxy-3-methylbut-2-en-1-yl diphosphate synthase, DIPHOSPHATE, FE3-S4 CLUSTER
著者Quitterer, F, Frank, A, Wang, K, Rao, G, O'Dowd, B, Li, J, Guerra, F, Abdel-Azeim, S, Bacher, A, Eppinger, J, Oldfield, E, Groll, M.
登録日2015-01-26
公開日2015-04-29
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Atomic-Resolution Structures of Discrete Stages on the Reaction Coordinate of the [Fe4S4] Enzyme IspG (GcpE).
J.Mol.Biol., 427, 2015
4RK0
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BU of 4rk0 by Molmil
Crystal structure of LacI family transcriptional regulator from Enterococcus faecalis V583, Target EFI-512923, with bound ribose
分子名称: LacI family sugar-binding transcriptional regulator, alpha-D-ribofuranose
著者Patskovsky, Y, Toro, R, Bhosle, R, Al Obaidi, N, Chamala, S, Attonito, J.D, Scott Glenn, A, Chowdhury, S, Lafleur, J, Siedel, R.D, Hillerich, B, Love, J, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
登録日2014-10-11
公開日2014-10-29
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal Structure of LacI Transcriptional Regulator Ef_2962 from Enterococcus faecalis V583, Target EFI-512923
To be Published
3L3D
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Crystal structure of HLA-B*4402 in complex with the F3A mutant of a self-peptide derived from DPA*0201
分子名称: ACETATE ION, Beta-2-microglobulin, GLYCEROL, ...
著者Theodossis, A, Ely, L.K, Rossjohn, J.
登録日2009-12-16
公開日2010-03-16
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Constraints within major histocompatibility complex class I restricted peptides: presentation and consequences for T-cell recognition
Proc.Natl.Acad.Sci.USA, 107, 2010
3F8Z
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Human Dihydrofolate Reductase Structural Data with Active Site Mutant Enzyme Complexes
分子名称: 2,4-DIAMINO-5-[2-METHOXY-5-(4-CARBOXYBUTYLOXY)BENZYL]PYRIMIDINE, Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Cody, V, Pace, J, Makin, J, Piraino, J, Queener, S.F, Rosowsky, A.
登録日2008-11-13
公開日2009-08-18
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Correlations of Inhibitor Kinetics for Pneumocystis jirovecii and Human Dihydrofolate Reductase with Structural Data for Human Active Site Mutant Enzyme Complexes.
Biochemistry, 48, 2009
5C5Y
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BU of 5c5y by Molmil
Crystal structure of deoxyribose-phosphate aldolase from Colwellia psychrerythraea (hexagonal form)
分子名称: Deoxyribose-phosphate aldolase, GLYCEROL, UNKNOWN LIGAND
著者Weiergraeber, O.H, Dick, M, Pietruszka, J.
登録日2015-06-22
公開日2016-02-03
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Trading off stability against activity in extremophilic aldolases.
Sci Rep, 6, 2016
3TIB
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BU of 3tib by Molmil
Crystal structure of 1957 pandemic H2N2 neuraminidase complexed with laninamivir octanoate
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 5-acetamido-2,6-anhydro-4-carbamimidamido-3,4,5-trideoxy-7-O-methyl-9-O-octanoyl-D-glycero-D-galacto-non-2-enonic acid, CALCIUM ION, ...
著者Vavricka, C.J, Li, Q, Wu, Y, Qi, J, Wang, M, Liu, Y, Gao, F, Liu, J, Feng, E, He, J, Wang, J, Liu, H, Jiang, H, Gao, G.F.
登録日2011-08-20
公開日2011-11-16
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.201 Å)
主引用文献Structural and functional analysis of laninamivir and its octanoate prodrug reveals group specific mechanisms for influenza NA inhibition
Plos Pathog., 7, 2011
7KNB
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BU of 7knb by Molmil
Cryo-EM structure of single ACE2-bound SARS-CoV-2 trimer spike at pH 7.4
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, Angiotensin-converting enzyme 2, ...
著者Gorman, J, Kwong, P.D, Shapiro, L.
登録日2020-11-04
公開日2020-12-09
最終更新日2021-12-15
実験手法ELECTRON MICROSCOPY (3.93 Å)
主引用文献Cryo-EM Structures of SARS-CoV-2 Spike without and with ACE2 Reveal a pH-Dependent Switch to Mediate Endosomal Positioning of Receptor-Binding Domains.
Cell Host Microbe, 28, 2020

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