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PDB: 3278 件
5EZR
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BU of 5ezr by Molmil
Crystal Structure of PVX_084705 bound to compound
分子名称: CHLORIDE ION, N-[5-(3-{2-[(cyclopropylmethyl)amino]pyrimidin-4-yl}-7-[(dimethylamino)methyl]-6-methylimidazo[1,2-a]pyridin-2-yl)-2-fluorophenyl]methanesulfonamide, cGMP-dependent protein kinase, ...
著者El Bakkouri, M, Amani, M, Walker, J.R, Osborne, S, Large, J.M, Birchall, K, Bouloc, N, Smiljanic-Hurley, E, Wheldon, M, Harding, D.J, Merritt, A.T, Ansell, K.H, Coombs, P.J, Kettleborough, C.A, Stewart, B.L, Bowyer, P.W, Gutteridge, W.E, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Baker, D.A, Hui, R, Loppnau, P, Structural Genomics Consortium (SGC)
登録日2015-11-26
公開日2017-05-10
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal Structure of PVX_084705 bound to compound
To Be Published
6UK4
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BU of 6uk4 by Molmil
Complex of T cell Receptor with HHAT Neoantigen Peptide KQWLVWLFL Presented by HLA-A206
分子名称: 302 TIL T cell receptor alpha chain, 302 TIL T cell receptor beta chain, Beta-2-microglobulin, ...
著者Devlin, J.R, Baker, B.M.
登録日2019-10-04
公開日2020-08-19
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structural dissimilarity from self drives neoepitope escape from immune tolerance.
Nat.Chem.Biol., 16, 2020
6UKI
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BU of 6uki by Molmil
HhaI endonuclease in Complex with DNA in space group P212121 (pH 6.0)
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, DNA (5'-D(*CP*TP*GP*TP*TP*GP*CP*GP*CP*TP*TP*GP*GP*A)-3'), ...
著者Horton, J.R, Cheng, X.
登録日2019-10-04
公開日2019-12-18
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structure of HhaI endonuclease with cognate DNA at an atomic resolution of 1.0 angstrom.
Nucleic Acids Res., 48, 2020
2BPM
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BU of 2bpm by Molmil
STRUCTURE OF CDK2-CYCLIN A WITH PHA-630529
分子名称: (2S)-N-[(3Z)-5-CYCLOPROPYL-3H-PYRAZOL-3-YLIDENE]-2-[4-(2-OXOIMIDAZOLIDIN-1-YL)PHENYL]PROPANAMIDE, CELL DIVISION PROTEIN KINASE 2, CYCLIN A2, ...
著者Cameron, A, Fogliatto, G, Pevarello, P, Brasca, M.G, Orsini, P, Traquandi, G, Longo, A, Nesi, M, Orzi, F, Piutti, C, Sansonna, P, Varasi, M, Vulpetti, A, Roletto, F, Alzani, R, Ciomei, M, Albanese, C, Pastori, W, Marsiglio, A, Pesenti, E, Fiorentini, F, Bischoff, J.R, Mercurio, C.
登録日2005-04-21
公開日2005-12-08
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献3-Aminopyrazole Inhibitors of Cdk2-Cyclin a as Antitumor Agents. 2. Lead Optimization
J.Med.Chem., 48, 2005
2BQZ
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BU of 2bqz by Molmil
Crystal structure of a ternary complex of the human histone methyltransferase Pr-SET7 (also known as SET8)
分子名称: HISTONE H4, S-ADENOSYL-L-HOMOCYSTEINE, SET8 PROTEIN
著者Xiao, B, Jing, C, Kelly, G, Walker, P.A, Muskett, F.W, Frenkiel, T.A, Martin, S.R, Sarma, K, Reinberg, D, Gamblin, S.J, Wilson, J.R.
登録日2005-04-28
公開日2005-06-08
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Specificity and Mechanism of the Histone Methyltransferase Pr-Set7
Genes Dev., 19, 2005
6U07
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BU of 6u07 by Molmil
Computational Stabilization of T Cell Receptor Constant Domains
分子名称: MAGNESIUM ION, Stabilized T cell receptor constant domain (Calpha), Stabilized T cell receptor constant domain (Cbeta)
著者Froning, K, Maguire, J, Sereno, A, Huang, F, Chang, S, Weichert, K, Frommelt, A.J, Dong, J, Wu, X, Austin, H, Conner, E.M, Fitchett, J.R, Heng, A.R, Balasubramaniam, D, Hilgers, M.T, Kuhlman, B, Demarest, S.J.
登録日2019-08-13
公開日2020-04-15
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Computational stabilization of T cell receptors allows pairing with antibodies to form bispecifics.
Nat Commun, 11, 2020
5B82
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BU of 5b82 by Molmil
Crystal structure of the cyanobacterial heme-protein Tll0287
分子名称: CHLORIDE ION, HEME C, Tll0287 protein
著者Suga, M, Motomura, T, Shen, J.R.
登録日2016-06-12
公開日2017-05-03
最終更新日2017-06-21
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure and redox properties of a novel cyanobacterial heme protein with a His/Cys heme axial ligation and a Per-Arnt-Sim (PAS)-like domain
J. Biol. Chem., 292, 2017
5BKB
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BU of 5bkb by Molmil
Crystal structure of AAD-1 in complex with (R)-dichlorprop, Mn(II), and 2-oxoglutarate
分子名称: (2R)-2-(2,4-dichlorophenoxy)propanoic acid, (R)-phenoxypropionate/alpha-ketoglutarate-dioxygenase, 2-OXOGLUTARIC ACID, ...
著者Chekan, J.R, Nair, S.K.
登録日2019-06-02
公開日2019-06-12
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.582 Å)
主引用文献Molecular basis for enantioselective herbicide degradation imparted by aryloxyalkanoate dioxygenases in transgenic plants.
Proc.Natl.Acad.Sci.USA, 116, 2019
3LC9
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BU of 3lc9 by Molmil
Ricin A-chain variant 1-33/44-198 with engineered disulfide bond
分子名称: Ricin A chain, SULFATE ION
著者Compton, J.R, Legler, P.M, Millard, C.B.
登録日2010-01-10
公開日2010-11-10
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献Introduction of a disulfide bond leads to stabilization and crystallization of a ricin immunogen.
Proteins, 79, 2011
4G2P
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BU of 4g2p by Molmil
Crystal structure of peptidyl-prolyl cis-trans isomerase domain II of molecular chaperone SurA from Salmonella enterica subsp. enterica serovar Typhimurium str. 14028S
分子名称: Chaperone SurA, GLYCEROL, SULFATE ION
著者Chang, C, Wu, R, Adkins, J.N, Brown, R.N, Cort, J.R, Heffron, F, Nakayasu, E.S, Jedrzejczak, R, Joachimiak, A, Midwest Center for Structural Genomics (MCSG), Program for the Characterization of Secreted Effector Proteins (PCSEP)
登録日2012-07-12
公開日2012-08-01
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Crystal structure of peptidyl-prolyl cis-trans isomerase domain II of molecular chaperone SurA from Salmonella enterica subsp. enterica serovar Typhimurium str. 14028S
TO BE PUBLISHED
6UHL
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BU of 6uhl by Molmil
Crystal Structure of C148 mGFP-scDNA-1
分子名称: C148 mGFP-scDNA-1, UNKNOWN LIGAND
著者Winegar, P.W, Hayes, O.G, McMillan, J.R, Figg, C.A, Focia, P.J, Mirkin, C.A.
登録日2019-09-27
公開日2020-03-18
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献DNA-Directed Protein Packing within Single Crystals.
Chem, 6, 2020
3LFE
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BU of 3lfe by Molmil
Human p38 MAP Kinase in Complex with RL116
分子名称: 1-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-3-{4-[2-(pyridin-4-ylmethoxy)ethyl]-1,3-thiazol-2-yl}urea, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside
著者Gruetter, C, Simard, J.R, Getlik, M, Rauh, D.
登録日2010-01-16
公開日2011-04-20
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Development of novel thiazole-urea compounds which stabalize the inactive conformation of p38 alpha
To be Published
3LFF
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BU of 3lff by Molmil
Human p38 MAP Kinase in Complex with RL166
分子名称: (4-{3-tert-butyl-5-[(1,3-thiazol-2-ylcarbamoyl)amino]-1H-pyrazol-1-yl}phenyl)acetic acid, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside
著者Gruetter, C, Simard, J.R, Getlik, M, Rauh, D.
登録日2010-01-16
公開日2011-04-20
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Development of novel thiazole-urea compounds which stabalize the inactive conformation of p38 alpha
To be Published
4G4C
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BU of 4g4c by Molmil
Room temperature X-ray diffraction study of carboplatin binding to HEWL in DMSO media after 13 months of crystal storage
分子名称: CHLORIDE ION, DIMETHYL SULFOXIDE, Lysozyme C, ...
著者Tanley, S.W.M, Schreurs, A.M.M, Kroon-Batenburg, L.M.J, Helliwell, J.R.
登録日2012-07-16
公開日2012-11-07
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Room-temperature X-ray diffraction studies of cisplatin and carboplatin binding to His15 of HEWL after prolonged chemical exposure.
Acta Crystallogr.,Sect.F, 68, 2012
6UKE
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BU of 6uke by Molmil
HhaI endonuclease in Complex with Iodine-Labelled DNA
分子名称: 1,2-ETHANEDIOL, ACETATE ION, CALCIUM ION, ...
著者Horton, J.R, Cheng, X.
登録日2019-10-04
公開日2019-12-18
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献Structure of HhaI endonuclease with cognate DNA at an atomic resolution of 1.0 angstrom.
Nucleic Acids Res., 48, 2020
2C6C
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BU of 2c6c by Molmil
membrane-bound glutamate carboxypeptidase II (GCPII) in complex with GPI-18431 (S)-2-(4-iodobenzylphosphonomethyl)-pentanedioic acid
分子名称: (2S)-2-{[HYDROXY(4-IODOBENZYL)PHOSPHORYL]METHYL}PENTANEDIOIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Mesters, J.R, Barinka, C, Li, W, Tsukamoto, T, Majer, P, Slusher, B.S, Konvalinka, J, Hilgenfeld, R.
登録日2005-11-09
公開日2006-02-15
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure of Glutamate Carboxypeptidase II, a Drug Target in Neuronal Damage and Prostate Cancer.
Embo J., 25, 2006
3LQE
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BU of 3lqe by Molmil
X-Ray Structure of the Murine Norovirus (MNV)-1 Capsid Protein Protruding (P) Domain
分子名称: Capsid protein
著者Rubin, J.R, Stuckey, J.A.
登録日2010-02-09
公開日2010-04-21
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献High-resolution x-ray structure and functional analysis of the murine norovirus 1 capsid protein protruding domain.
J.Virol., 84, 2010
5BQM
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BU of 5bqm by Molmil
Crystal structure of SXN101959, a Clostridium botulinum neurotoxin type D derivative and targeted secretion inhibitor
分子名称: Botulinum neurotoxin type D, Somatoliberin,Botulinum neurotoxin type D, ZINC ION
著者Masuyer, G, Davies, J.R, Moore, K, Chaddock, J.A, Acharya, K.R.
登録日2015-05-29
公開日2015-08-19
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Structural analysis of Clostridium botulinum neurotoxin type D as a platform for the development of targeted secretion inhibitors.
Sci Rep, 5, 2015
3CDF
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BU of 3cdf by Molmil
kI O18/O8 Y87H immunoglobulin light chain variable domain
分子名称: IMMUNOGLOBULIN LIGHT CHAIN
著者Baden, E.M, Randles, E.G, Thompson, J.R, Ramirez-Alvarado, M.
登録日2008-02-26
公開日2008-09-02
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.53 Å)
主引用文献Structural insights into the role of mutations in amyloidogenesis.
J.Biol.Chem., 283, 2008
4GCF
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BU of 4gcf by Molmil
Room temperature X-ray diffraction study of a 6-fold molar excess of a cisplatin/carboplatin mixture binding to HEWL, Dataset 4
分子名称: DIMETHYL SULFOXIDE, Lysozyme C, PLATINUM (II) ION
著者Helliwell, J.R, Tanley, S.W.M.
登録日2012-07-30
公開日2013-01-02
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献The crystal structure analysis of the relative binding of cisplatin and carboplatin in a mixture with histidine in a protein studied at 100 and 300 K with repeated X-ray irradiation.
Acta Crystallogr.,Sect.D, 69, 2013
3LFD
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BU of 3lfd by Molmil
Human p38 MAP Kinase in Complex with RL113
分子名称: 1-{4-[2-(benzyloxy)ethyl]-1,3-thiazol-2-yl}-3-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]urea, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside
著者Gruetter, C, Simard, J.R, Getlik, M, Rauh, D.
登録日2010-01-16
公開日2011-04-20
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (3.4 Å)
主引用文献Development of novel thiazole-urea compounds which stabalize the inactive conformation of p38 alpha
To be Published
6UHM
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BU of 6uhm by Molmil
Crystal Structure of a Physical Mixture of C148 mGFP and scDNA-1
分子名称: C148 mGFP
著者Winegar, P.W, Hayes, O.G, McMillan, J.R, Figg, C.A, Focia, P.J, Mirkin, C.A.
登録日2019-09-27
公開日2020-03-18
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献DNA-Directed Protein Packing within Single Crystals.
Chem, 6, 2020
5F0A
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BU of 5f0a by Molmil
CRYSTAL STRUCTURE OF PVX_084705 WITH BOUND 1-tert-butyl-3-(3-chlorophenoxy)-1H-pyrazolo[3,4-d]pyrimidin-4-amine INHIBITOR
分子名称: 1-tert-butyl-3-(3-chlorophenoxy)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, cGMP-dependent protein kinase, putative
著者Walker, J.R, Wernimont, A.K, He, H, Seitova, A, Loppnau, P, Sibley, L.D, Graslund, S, Hutchinson, A, Bountra, C, Weigelt, J, Edwards, A.M, Arrowsmith, C.H, Hui, R, El Bakkouri, M, Structural Genomics Consortium (SGC)
登録日2015-11-27
公開日2015-12-16
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献CRYSTAL STRUCTURE OF PVX_084705 WITH BOUND INHIBITOR
To be published
4GCC
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BU of 4gcc by Molmil
Room temperature X-ray diffraction study of a 6-fold molar excess of a cisplatin/carboplatin mixture binding to HEWL, Dataset 1
分子名称: Cisplatin, DIMETHYL SULFOXIDE, Lysozyme C
著者Helliwell, J.R, Tanley, S.W.M.
登録日2012-07-30
公開日2013-01-02
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The crystal structure analysis of the relative binding of cisplatin and carboplatin in a mixture with histidine in a protein studied at 100 and 300 K with repeated X-ray irradiation.
Acta Crystallogr.,Sect.D, 69, 2013
6UJQ
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BU of 6ujq by Molmil
HHAT Wild Type Peptide KQWLVWLLL Presented by HLA-A206
分子名称: Beta-2-microglobulin, MHC class I antigen, Protein-cysteine N-palmitoyltransferase HHAT
著者Devlin, J.R, Baker, B.M, Singh, N.K.
登録日2019-10-03
公開日2020-08-19
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Structural dissimilarity from self drives neoepitope escape from immune tolerance.
Nat.Chem.Biol., 16, 2020

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