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3I0S
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BU of 3i0s by Molmil
crystal structure of HIV reverse transcriptase in complex with inhibitor 7
Descriptor: Reverse transcriptase/ribonuclease H, S-{2-[(2-chloro-4-sulfamoylphenyl)amino]-2-oxoethyl} 6,8-dichloro-3,4-dihydroquinoline-1(2H)-carbothioate, p51 RT
Authors:Yan, Y, Prasad, S.
Deposit date:2009-06-25
Release date:2009-08-25
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Substituted tetrahydroquinolines as potent allosteric inhibitors of reverse transcriptase and its key mutants.
Bioorg.Med.Chem.Lett., 19, 2009
5WDT
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BU of 5wdt by Molmil
70S ribosome-EF-Tu H84A complex with GppNHp
Descriptor: 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ...
Authors:Fislage, M, Brown, Z, Frank, J.
Deposit date:2017-07-06
Release date:2018-04-25
Last modified:2025-02-12
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Cryo-EM shows stages of initial codon selection on the ribosome by aa-tRNA in ternary complex with GTP and the GTPase-deficient EF-TuH84A.
Nucleic Acids Res., 46, 2018
5WE4
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BU of 5we4 by Molmil
70S ribosome-EF-Tu wt complex with GppNHp
Descriptor: 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ...
Authors:Fislage, M, Brown, Z, Frank, J.
Deposit date:2017-07-07
Release date:2018-04-25
Last modified:2025-02-12
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Cryo-EM shows stages of initial codon selection on the ribosome by aa-tRNA in ternary complex with GTP and the GTPase-deficient EF-TuH84A.
Nucleic Acids Res., 46, 2018
6BL1
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BU of 6bl1 by Molmil
Novel Modes of Inhibition of Wild-Type IDH1: Direct Covalent Modification of His315 with Cmpd13
Descriptor: (6aS,7S,9S,10aS)-7-methyl-8-oxo-10a-phenyl-2-(phenylamino)-5,6,6a,7,8,9,10,10a-octahydrobenzo[h]quinazoline-9-carbonitrile, CALCIUM ION, ISOCITRIC ACID, ...
Authors:Jakob, C.G, Qiu, W.
Deposit date:2017-11-09
Release date:2018-07-25
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Novel Modes of Inhibition of Wild-Type Isocitrate Dehydrogenase 1 (IDH1): Direct Covalent Modification of His315.
J. Med. Chem., 61, 2018
8UJY
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BU of 8ujy by Molmil
Crystal structure of human WD repeat-containing protein 5 in complex with 4-(3,5-dimethoxybenzyl)-9-(4-fluoro-2-methylphenyl)-7-((2-imino-3-methyl-2,3-dihydro-1H-imidazol-1-yl)methyl)-3,4-dihydrobenzo[f][1,4]oxazepin-5(2H)-one (compound 8)
Descriptor: (9P)-4-[(3,5-dimethoxyphenyl)methyl]-9-(4-fluoro-2-methylphenyl)-7-{[(2E)-2-imino-3-methyl-2,3-dihydro-1H-imidazol-1-yl]methyl}-3,4-dihydro-1,4-benzoxazepin-5(2H)-one, WD repeat-containing protein 5
Authors:Zhao, B, Amporndanai, K, Fesik, S.W.
Deposit date:2023-10-11
Release date:2023-12-20
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Structure-Based Discovery of Potent, Orally Bioavailable Benzoxazepinone-Based WD Repeat Domain 5 Inhibitors.
J.Med.Chem., 66, 2023
6E6J
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BU of 6e6j by Molmil
BRD2_Bromodomain2 complex with inhibitor 744
Descriptor: Bromodomain-containing protein 2, N-ethyl-4-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-6-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
Authors:Longenecker, K.L, Park, C.H, Bigelow, L.
Deposit date:2018-07-25
Release date:2019-07-31
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.44 Å)
Cite:Selective inhibition of the BD2 bromodomain of BET proteins in prostate cancer.
Nature, 578, 2020
2Q1M
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BU of 2q1m by Molmil
Crystal Structure of human GITRL
Descriptor: Tumor necrosis factor ligand superfamily member 18
Authors:Chattopadhyay, K, Ramagopal, U.A, Nathenson, S.G, Almo, S.C.
Deposit date:2007-05-24
Release date:2007-11-13
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Assembly and structural properties of glucocorticoid-induced TNF receptor ligand: Implications for function.
Proc.Natl.Acad.Sci.USA, 104, 2007
2BIC
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BU of 2bic by Molmil
The solution structure of the recombinant elicitor protein PcF from the oomycete pathogen P. cactorum
Descriptor: PHYTOTOXIC PROTEIN PCF
Authors:Nicastro, G, Orsomando, G, Desario, F, Ferrari, E, Manconi, L, Spisni, A, Ruggieri, S.
Deposit date:2005-01-20
Release date:2006-06-28
Last modified:2024-10-09
Method:SOLUTION NMR
Cite:Solution Structure of the Phytotoxic Protein Pcf: The First Characterized Member of the Phytophthora Pcf Toxin Family.
Protein Sci., 18, 2009
1COL
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BU of 1col by Molmil
REFINED STRUCTURE OF THE PORE-FORMING DOMAIN OF COLICIN A AT 2.4 ANGSTROMS RESOLUTION
Descriptor: COLICIN A
Authors:Parker, M.W, Postma, J.P.M, Pattus, F, Tucker, A.D, Tsernoglou, D.
Deposit date:1991-07-06
Release date:1992-07-15
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Refined structure of the pore-forming domain of colicin A at 2.4 A resolution.
J.Mol.Biol., 224, 1992
3MX9
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BU of 3mx9 by Molmil
Molecular basis of engineered meganuclease targeting of the endogenous human RAG1 locus
Descriptor: CALCIUM ION, DNA (5'-D(*TP*CP*TP*GP*GP*CP*TP*GP*AP*GP*GP*TP*AP*CP*CP*TP*GP*AP*GP*AP*AP*CP*AP*A)-3'), DNA (5'-D(*TP*TP*GP*TP*TP*CP*TP*CP*AP*GP*GP*TP*AP*CP*CP*TP*CP*AP*GP*CP*CP*AP*GP*A)-3'), ...
Authors:Munoz, I.G, Prieto, J, Subramanian, S, Coloma, J, Montoya, G.
Deposit date:2010-05-07
Release date:2010-10-06
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Molecular basis of engineered meganuclease targeting of the endogenous human RAG1 locus.
Nucleic Acids Res., 39, 2011
6HA4
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BU of 6ha4 by Molmil
Crystal structure of PAF - p-sulfonatocalix[4]arene complex
Descriptor: 25,26,27,28-tetrahydroxypentacyclo[19.3.1.1~3,7~.1~9,13~.1~15,19~]octacosa-1(25),3(28),4,6,9(27),10,12,15(26),16,18,21,23-dodecaene-5,11,17,23-tetrasulfonic acid, GLYCEROL, Pc24g00380 protein
Authors:Alex, J.M, Rennie, M, Engilberge, S, Batta, G, Crowley, P.B.
Deposit date:2018-08-07
Release date:2019-02-13
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.33 Å)
Cite:Calixarene-mediated assembly of a small antifungal protein.
Iucrj, 6, 2019
3MXB
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BU of 3mxb by Molmil
Molecular basis of engineered meganuclease targeting of the endogenous human RAG1 locus
Descriptor: CALCIUM ION, DNA (5'-D(*TP*CP*TP*GP*GP*CP*TP*GP*AP*GP*GP*TP*AP*CP*CP*TP*GP*AP*GP*AP*AP*CP*AP*A)-3'), DNA (5'-D(*TP*TP*GP*TP*TP*CP*TP*CP*AP*GP*GP*TP*AP*CP*CP*TP*CP*AP*GP*CP*CP*AP*GP*A)-3'), ...
Authors:Munoz, I.G, Prieto, J, Subramanian, S, Coloma, J, Montoya, G.
Deposit date:2010-05-07
Release date:2010-10-06
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Molecular basis of engineered meganuclease targeting of the endogenous human RAG1 locus.
Nucleic Acids Res., 39, 2011
6HAH
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BU of 6hah by Molmil
Crystal structure of PAF - p-sulfonatocalix[6]arene complex
Descriptor: 2-[2-(2-ethoxyethoxy)ethoxy]ethanol, GLYCEROL, Pc24g00380 protein, ...
Authors:Alex, J.M, Rennie, M, Engilberge, S, Batta, G, Crowley, P.B.
Deposit date:2018-08-07
Release date:2019-02-13
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Calixarene-mediated assembly of a small antifungal protein.
Iucrj, 6, 2019
3BZ3
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BU of 3bz3 by Molmil
Crystal Structure Analysis of Focal Adhesion Kinase with a Methanesulfonamide Diaminopyrimidine Inhibitor
Descriptor: Focal adhesion kinase 1, N-methyl-N-{3-[({2-[(2-oxo-2,3-dihydro-1H-indol-5-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl}amino)methyl]pyridin-2-yl}methanesulfonamide
Authors:Vajdos, F, Marr, E.
Deposit date:2008-01-17
Release date:2008-04-01
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Antitumor activity and pharmacology of a selective focal adhesion kinase inhibitor, PF-562,271.
Cancer Res., 68, 2008
2R32
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BU of 2r32 by Molmil
Crystal Structure of human GITRL variant
Descriptor: GCN4-pII/Tumor necrosis factor ligand superfamily member 18 fusion protein, SULFATE ION
Authors:Chattopadhyay, K, Ramagopal, U.A, Nathenson, S.G, Almo, S.C.
Deposit date:2007-08-28
Release date:2007-11-20
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Assembly and structural properties of glucocorticoid-induced TNF receptor ligand: Implications for function.
Proc.Natl.Acad.Sci.USA, 104, 2007
3MXA
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BU of 3mxa by Molmil
Molecular basis of engineered meganuclease targeting of the endogenous human RAG1 locus
Descriptor: DNA (5'-D(*TP*CP*TP*GP*GP*CP*TP*GP*AP*GP*GP*TP*AP*C)-3'), DNA (5'-D(*TP*TP*GP*TP*TP*CP*TP*CP*AP*GP*GP*TP*AP*C)-3'), DNA (5'-D(P*CP*TP*CP*AP*GP*CP*CP*AP*GP*A)-3'), ...
Authors:Munoz, I.G, Prieto, J, Subramanian, S, Coloma, J, Montoya, G.
Deposit date:2010-05-07
Release date:2010-10-06
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Molecular basis of engineered meganuclease targeting of the endogenous human RAG1 locus.
Nucleic Acids Res., 39, 2011
6HAJ
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BU of 6haj by Molmil
Crystal structure of PAF - p-sulfonatocalix[8]arene complex
Descriptor: 2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL, Pc24g00380 protein, sulfonato-calix[8]arene
Authors:Alex, J.M, Rennie, M, Engilberge, S, Batta, G, Crowley, P.B.
Deposit date:2018-08-07
Release date:2019-02-13
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Calixarene-mediated assembly of a small antifungal protein.
Iucrj, 6, 2019
2R30
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BU of 2r30 by Molmil
Crystal Structure of human GITRL mutant
Descriptor: Tumor necrosis factor ligand superfamily member 18
Authors:Chattopadhyay, K, Ramagopal, U.A, Nathenson, S.G, Almo, S.C.
Deposit date:2007-08-28
Release date:2007-11-13
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Assembly and structural properties of glucocorticoid-induced TNF receptor ligand: Implications for function.
Proc.Natl.Acad.Sci.USA, 104, 2007
5E2U
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BU of 5e2u by Molmil
Structure of anti-TAU AT8 FAB in the presence of phosphopeptide
Descriptor: AT8 HEAVY CHAIN, AT8 LIGHT CHAIN, SULFATE ION
Authors:Malia, T, Teplyakov, A.
Deposit date:2015-10-01
Release date:2016-02-24
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Epitope mapping and structural basis for the recognition of phosphorylated tau by the anti-tau antibody AT8.
Proteins, 84, 2016
5E8C
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BU of 5e8c by Molmil
pseudorabies virus nuclear egress complex, pUL31, pUL34
Descriptor: CHLORIDE ION, UL31, UL34 protein, ...
Authors:Zeev-Ben-Mordehai, T, Cheleski, J, Whittle, C, El Omari, K, Harlos, K, Hagen, C, Klupp, B, Mettenleiter, T.C, Gruenewald, K.
Deposit date:2015-10-14
Release date:2015-12-23
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Crystal Structure of the Herpesvirus Nuclear Egress Complex Provides Insights into Inner Nuclear Membrane Remodeling.
Cell Rep, 13, 2015
5E2V
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BU of 5e2v by Molmil
Anti-TAU AT8 FAB with doubly phosphorylated TAU peptide
Descriptor: AT8 HEAVY CHAIN, AT8 LIGHT CHAIN, GLYCEROL, ...
Authors:Malia, T, Teplyakov, A.
Deposit date:2015-10-01
Release date:2016-02-24
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Epitope mapping and structural basis for the recognition of phosphorylated tau by the anti-tau antibody AT8.
Proteins, 84, 2016
5E2W
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BU of 5e2w by Molmil
Anti-TAU AT8 FAB with triply phosphorylated TAU peptide
Descriptor: AT8 HEAVY CHAIN, AT8 LIGHT CHAIN, TAU-PHOSPHOPEPTIDE
Authors:Malia, T, Teplyakov, A.
Deposit date:2015-10-01
Release date:2016-02-24
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Epitope mapping and structural basis for the recognition of phosphorylated tau by the anti-tau antibody AT8.
Proteins, 84, 2016
1AJD
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BU of 1ajd by Molmil
THREE-DIMENSIONAL STRUCTURE OF THE D153G MUTANT OF E. COLI ALKALINE PHOSPHATASE: A MUTANT WITH WEAKER MAGNESIUM BINDING AND INCREASED CATALYTIC ACTIVITY
Descriptor: ALKALINE PHOSPHATASE INTERMEDIATE II OF HOLO ENZYME, MAGNESIUM ION, ZINC ION
Authors:Dealwis, C.G, Chen, L, Abad-Zapatero, C.
Deposit date:1995-08-18
Release date:1995-11-14
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystallographic analysis of reversible metal binding observed in a mutant (Asp153-->Gly) of Escherichia coli alkaline phosphatase.
Biochemistry, 34, 1995
1AJC
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BU of 1ajc by Molmil
THREE-DIMENSIONAL STRUCTURE OF THE D153G MUTANT OF E. COLI ALKALINE PHOSPHATASE: A MUTANT WITH WEAKER MAGNESIUM BINDING AND INCREASED CATALYTIC ACTIVITY
Descriptor: ALKALINE PHOSPHATASE, MAGNESIUM ION, ZINC ION
Authors:Dealwis, C.G, Chen, L, Abad-Zapatero, C.
Deposit date:1995-07-18
Release date:1995-11-14
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystallographic analysis of reversible metal binding observed in a mutant (Asp153-->Gly) of Escherichia coli alkaline phosphatase.
Biochemistry, 34, 1995
1AJB
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BU of 1ajb by Molmil
THREE-DIMENSIONAL STRUCTURE OF THE D153G MUTANT OF E. COLI ALKALINE PHOSPHATASE: A MUTANT WITH WEAKER MAGNESIUM BINDING AND INCREASED CATALYTIC ACTIVITY
Descriptor: ALKALINE PHOSPHATASE, MAGNESIUM ION, SULFATE ION, ...
Authors:Dealwis, C.G, Chen, L, Abad-Zapatero, C.
Deposit date:1995-08-19
Release date:1995-11-14
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:3-D structure of the D153G mutant of Escherichia coli alkaline phosphatase: an enzyme with weaker magnesium binding and increased catalytic activity.
Protein Eng., 8, 1995

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數據於2025-07-09公開中

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