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2UZR
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A transforming mutation in the pleckstrin homology domain of AKT1 in cancer (AKT1-PH_E17K)
分子名称: RAC-alpha serine/threonine-protein kinase
著者Carpten, J.D, Faber, A.L, Horn, C, Donoho, G.P, Briggs, S.L, Robbins, C.M, Hostetter, G, Boguslawski, S, Moses, T.Y, Savage, S, Uhlik, M, Lin, A, Du, J, Qian, Y.W, Zeckner, D.J, Tucker-Kellogg, G, Touchman, J, Patel, K, Mousses, S, Bittner, M, Schevitz, R, Lai, M.H, Blanchard, K.L, Thomas, J.E.
登録日2007-05-01
公開日2007-07-17
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献A transforming mutation in the pleckstrin homology domain of AKT1 in cancer.
Nature, 448, 2007
2UZO
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Crystal structure of human CDK2 complexed with a thiazolidinone inhibitor
分子名称: 4-{5-[(Z)-(2,4-DIOXO-1,3-THIAZOLIDIN-5-YLIDENE)METHYL]FURAN-2-YL}BENZENESULFONAMIDE, CELL DIVISION PROTEIN KINASE 2
著者Richardson, C.M, Dokurno, P, Murray, J.B, Surgenor, A.E.
登録日2007-04-30
公開日2007-06-26
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Discovery of a Potent Cdk2 Inhibitor with a Novel Binding Mode, Using Virtual Screening and Initial, Structure-Guided Lead Scoping.
Bioorg.Med.Chem.Lett., 17, 2007
7ZWT
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BU of 7zwt by Molmil
Crystal structure of human BCL6 BTB domain in complex with compound 14
分子名称: 1,2-ETHANEDIOL, 2-[(2-chlorophenyl)amino]-~{N}-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide, B-cell lymphoma 6 protein, ...
著者Gunnell, E.A, Le Bihan, Y.-V, van Montfort, R.L.M.
登録日2022-05-19
公開日2022-11-16
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Discovering cell-active BCL6 inhibitors: effectively combining biochemical HTS with multiple biophysical techniques, X-ray crystallography and cell-based assays.
Sci Rep, 12, 2022
8HBC
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BU of 8hbc by Molmil
Crystal structure of the CysR-CTLD3 fragment of human DEC205
分子名称: Lymphocyte antigen 75
著者Kong, D, Yu, B, Hu, Z, Cheng, C, Cao, L, He, Y.
登録日2022-10-28
公開日2023-11-01
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (3.35 Å)
主引用文献Interaction of human dendritic cell receptor DEC205/CD205 with keratins.
J.Biol.Chem., 300, 2024
4WIW
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BU of 4wiw by Molmil
Crystal structure of C-terminal domain of putative chitinase from Desulfitobacterium hafniense DCB-2
分子名称: CALCIUM ION, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
著者Chang, C, Tesar, C, Endres, M, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
登録日2014-09-26
公開日2014-10-08
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.637 Å)
主引用文献Crystal structure of C-terminal domain of putative chitinase from Desulfitobacterium hafniense DCB-2
To Be Published
8H7O
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BU of 8h7o by Molmil
Crystal structure of aqualigase
分子名称: CALCIUM ION, ISOPROPYL ALCOHOL, Subtilisin
著者Li, H, Ma, M.Z, Zhang, L.J, Dai, L, Chen, C.-C, Guo, R.-T.
登録日2022-10-20
公開日2023-11-01
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Crystal structure of aqualigase
To Be Published
4WJT
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BU of 4wjt by Molmil
Stationary Phase Survival Protein YuiC from B.subtilis complexed with NAG
分子名称: (2S)-2-{[(2S)-2-{[(2R)-2-hydroxypropyl]oxy}propyl]oxy}propan-1-ol, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ...
著者Quay, D.H.X, Cole, A.R, Cryar, A, Thalassinos, K, Williams, M.A, Bhakta, S, Keep, N.H.
登録日2014-10-01
公開日2015-07-08
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.21 Å)
主引用文献Structure of the stationary phase survival protein YuiC from B.subtilis.
Bmc Struct.Biol., 15, 2015
2V6Q
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BU of 2v6q by Molmil
Crystal Structure of a BHRF-1 : Bim BH3 complex
分子名称: BCL-2-LIKE PROTEIN 11, BHRF1 PROTEIN, BROMIDE ION
著者Kvansakul, M, Huang, D.C.S, Colman, P.M.
登録日2007-07-20
公開日2008-08-19
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structural Basis for Apoptosis Inhibition by Epstein-Barr Virus Bhrf1.
Plos Pathog., 6, 2010
7ZWZ
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BU of 7zwz by Molmil
Crystal structure of human BCL6 BTB domain in complex with compound 22
分子名称: 1,2-ETHANEDIOL, ALA-TRP-VAL-ILE-PRO-ALA, B-cell lymphoma 6 protein, ...
著者Collie, G.W, Le Bihan, Y.-V, van Montfort, R.L.M.
登録日2022-05-19
公開日2022-11-16
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Discovering cell-active BCL6 inhibitors: effectively combining biochemical HTS with multiple biophysical techniques, X-ray crystallography and cell-based assays.
Sci Rep, 12, 2022
4WIV
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BU of 4wiv by Molmil
Crystal Structure of the first bromodomain of human BRD4 in complex with a novel inhibitor UMB32 (N-TERT-BUTYL-2-[4-(3,5-DIMETHYL-1,2-OXAZOL-4-YL) PHENYL]IMIDAZO[1,2-A]PYRAZIN-3-AMINE)
分子名称: 1,2-ETHANEDIOL, Bromodomain-containing protein 4, GLYCEROL, ...
著者Xu, X, Blacklow, S.
登録日2014-09-26
公開日2014-10-29
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.56 Å)
主引用文献Biased multicomponent reactions to develop novel bromodomain inhibitors.
J.Med.Chem., 57, 2014
2VNJ
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BU of 2vnj by Molmil
X-RAY STRUCTURE OF THE FERREDOXIN-NADP(H) REDUCTASE FROM RHODOBACTER CAPSULATUS IN COMPLEX WITH NADP. FORM I AT 2.13 ANGSTROMS RESOLUTION
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, NADPH:FERREDOXIN REDUCTASE, ...
著者Perez-Dorado, I, Hermoso, J.A.
登録日2008-02-05
公開日2008-11-11
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.13 Å)
主引用文献Coenzyme Binding and Hydride Transfer in Rhodobacter Capsulatus Ferredoxin/Flavodoxin Nadp(H) Oxidoreductase.
Biochim.Biophys.Acta, 1794, 2009
8GY6
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BU of 8gy6 by Molmil
Structure of SARS-CoV-2 RNA-dependent RNA polymerase with gossypol binding
分子名称: Gossypol, Non-structural protein 7, Non-structural protein 8, ...
著者Wang, W, Ren, M, Li, F.
登録日2022-09-21
公開日2023-11-01
実験手法ELECTRON MICROSCOPY
主引用文献Structure of SARS-CoV-2 RNA-dependent RNA polymerase with gossypol binding
To Be Published
4WJ3
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BU of 4wj3 by Molmil
Crystal structure of the asparagine transamidosome from Pseudomonas aeruginosa
分子名称: 76mer-tRNA, Aspartate--tRNA(Asp/Asn) ligase, Aspartyl/glutamyl-tRNA(Asn/Gln) amidotransferase subunit B, ...
著者Suzuki, T, Nakamura, A, Kato, K, Tanaka, I, Yao, M.
登録日2014-09-29
公開日2014-12-31
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (3.705 Å)
主引用文献Structure of the Pseudomonas aeruginosa transamidosome reveals unique aspects of bacterial tRNA-dependent asparagine biosynthesis
Proc.Natl.Acad.Sci.USA, 112, 2015
8H8V
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BU of 8h8v by Molmil
Room-temperature structure of lysozyme by pink-beam serial crystallography (100 ms, edge)
分子名称: CHLORIDE ION, Lysozyme C, SODIUM ION
著者Kim, Y, Nam, K.H.
登録日2022-10-24
公開日2023-11-01
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Data of pink-beam serial synchrotron crystallography at the Pohang Light Source II.
Data Brief, 52, 2024
2VKS
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BU of 2vks by Molmil
Crystal structure of GAF-B domain of DevS from Mycobacterium smegmatis
分子名称: GAF FAMILY PROTEIN
著者Kang, B.S, Cho, H.Y, Cho, H.J.
登録日2007-12-25
公開日2008-08-26
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献O2- and No-Sensing Mechanism Through the Devsr Two- Component System in Mycobacterium Smegmatis.
J.Bacteriol., 190, 2008
2VBL
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BU of 2vbl by Molmil
Molecular basis of human XPC gene recognition and cleavage by engineered homing endonuclease heterodimers
分子名称: 5'-D(*DA*DA*DA*DA*DG*DG*DC*DA*DG*DAP)-3', 5'-D(*DA*DG*DG*DA*DT*DC*DC*DT*DA*DAP)-3', 5'-D(*DT*DC*DT*DG*DC*DC*DT*DT*DT*DT*DT*DT *DGP*DAP)-3', ...
著者Redondo, P, Prieto, J, Munoz, I.G, Alibes, A, Stricher, F, Serrano, L, Arnould, S, Perez, C, Cabaniols, J.P, Duchateau, P, Paques, F, Blanco, F.J, Montoya, G.
登録日2007-09-14
公開日2008-10-28
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Molecular Basis of Xeroderma Pigmentosum Group C DNA Recognition by Engineered Meganucleases
Nature, 456, 2008
8HB0
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BU of 8hb0 by Molmil
Structure of human SGLT2-MAP17 complex with TA1887
分子名称: (2R,3R,4S,5S,6R)-2-[3-[(4-cyclopropylphenyl)methyl]-4-fluoranyl-indol-1-yl]-6-(hydroxymethyl)oxane-3,4,5-triol, 2-acetamido-2-deoxy-beta-D-glucopyranose, PDZK1-interacting protein 1, ...
著者Hiraizumi, M, Kishida, H, Miyaguchi, I, Nureki, O.
登録日2022-10-27
公開日2023-11-01
最終更新日2024-02-07
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Transport and inhibition mechanism of the human SGLT2-MAP17 glucose transporter.
Nat.Struct.Mol.Biol., 31, 2024
4WJZ
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Crystal structure of beta-ketoacyl-acyl carrier protein reductase (FabG)(G141A) from Vibrio cholerae
分子名称: 3-oxoacyl-[acyl-carrier-protein] reductase FabG, PHOSPHATE ION
著者Hou, J, Zheng, H, Anderson, W.F, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2014-10-01
公開日2014-11-12
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Dissecting the Structural Elements for the Activation of beta-Ketoacyl-(Acyl Carrier Protein) Reductase from Vibrio cholerae.
J.Bacteriol., 198, 2015
4WK9
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Crystal structure of human chitotriosidase-1 catalytic domain in complex with chitobiose (0.3mM) at 1.10 A resolution
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Chitotriosidase-1
著者Fadel, F, Zhao, Y, Cachau, R, Cousido-Siah, A, Ruiz, F.X, Harlos, K, Howard, E, Mitschler, A, Podjarny, A.
登録日2014-10-02
公開日2015-07-08
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.102 Å)
主引用文献New insights into the enzymatic mechanism of human chitotriosidase (CHIT1) catalytic domain by atomic resolution X-ray diffraction and hybrid QM/MM.
Acta Crystallogr.,Sect.D, 71, 2015
2VD3
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BU of 2vd3 by Molmil
The structure of histidine inhibited HisG from Methanobacterium thermoautotrophicum
分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, ATP PHOSPHORIBOSYLTRANSFERASE, ...
著者Lohkamp, B, Schweikert, T, Lapthorn, A.J.
登録日2007-09-28
公開日2008-11-04
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献The Structure of Histidine Inhibited Hisg from Methanobacterium Thermoautotrophicum
To be Published
8HEY
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BU of 8hey by Molmil
One CVSC-binding penton vertex in HCMV B-capsid
分子名称: Capsid vertex component 1, Capsid vertex component 2, Major capsid protein, ...
著者Li, Z, Yu, X.
登録日2022-11-09
公開日2023-11-01
最終更新日2024-10-09
実験手法ELECTRON MICROSCOPY (4.1 Å)
主引用文献Cryo-electron microscopy structures of capsids and in situ portals of DNA-devoid capsids of human cytomegalovirus.
Nat Commun, 14, 2023
4WKJ
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Crystallographic Structure of a Dodecameric RNA-DNA Hybrid
分子名称: DNA (5'-D(*GP*AP*AP*TP*CP*AP*GP*GP*TP*GP*TP*C)-3'), MAGNESIUM ION, RNA (5'-R(*GP*AP*CP*AP*CP*CP*UP*GP*AP*UP*UP*C)-3')
著者Davis, R.R, Shaban, N.M, Perrino, F.W, Hollis, T.
登録日2014-10-02
公開日2014-10-22
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Crystal structure of RNA-DNA duplex provides insight into conformational changes induced by RNase H binding.
Cell Cycle, 14, 2015
8H9Z
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Annexin A5 protein mutant
分子名称: Annexin A5, CALCIUM ION
著者Hua, Z.C, Tang, W.
登録日2022-10-26
公開日2023-11-01
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献structure dissection of the membrane aggregation mechanism induced by Annexin A5 mutation
To Be Published
2VG7
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Crystal structures of HIV-1 reverse transcriptase complexes with thiocarbamate non-nucleoside inhibitors
分子名称: O-[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl] (4-iodophenyl)thiocarbamate, P51 RT, REVERSE TRANSCRIPTASE/RIBONUCLEASE H
著者Spallarossa, A, Cesarini, S, Ranise, A, Ponassi, M, Unge, T, Bolognesi, M.
登録日2007-11-08
公開日2007-12-11
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.82 Å)
主引用文献Crystal Structures of HIV-1 Reverse Transcriptase Complexes with Thiocarbamate Non-Nucleoside Inhibitors.
Biochem.Biophys.Res.Commun., 365, 2008
4WF0
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Crystal Structure of iLID - an Improved Light-Inducible Dimer
分子名称: CHLORIDE ION, FLAVIN MONONUCLEOTIDE, NPH1-1
著者Hallett, R, Williams, T, Kuhlman, B.
登録日2014-09-11
公開日2014-12-24
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Engineering an improved light-induced dimer (iLID) for controlling the localization and activity of signaling proteins.
Proc.Natl.Acad.Sci.USA, 112, 2015

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