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1LD7
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BU of 1ld7 by Molmil
Co-crystal structure of Human Farnesyltransferase with farnesyldiphosphate and inhibitor compound 66
Descriptor: (20S)-19,20,22,23-TETRAHYDRO-19-OXO-5H,21H-18,20-ETHANO-12,14-ETHENO-6,10-METHENOBENZ[D]IMIDAZO[4,3-L][1,6,9,13]OXATRIA ZACYCLONOADECOSINE-9-CARBONITRILE, FARNESYL DIPHOSPHATE, ZINC ION, ...
Authors:Taylor, J.S, Terry, K.L, Beese, L.S.
Deposit date:2002-04-08
Release date:2002-06-19
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2 Å)
Cite:3-Aminopyrrolidinone farnesyltransferase inhibitors: design of macrocyclic compounds with improved pharmacokinetics and excellent cell potency.
J.Med.Chem., 45, 2002
1LEC
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BU of 1lec by Molmil
STRUCTURES OF THE LECTIN IV OF GRIFFONIA SIMPLICIFOLIA AND ITS COMPLEX WITH THE LEWIS B HUMAN BLOOD GROUP DETERMINANT AT 2.0 ANGSTROMS RESOLUTION
Descriptor: CALCIUM ION, MANGANESE (II) ION, SULFATE ION, ...
Authors:Delbaere, L, Vandonselaar, M, Quail, J.
Deposit date:1992-12-17
Release date:1994-01-31
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structures of the lectin IV of Griffonia simplicifolia and its complex with the Lewis b human blood group determinant at 2.0 A resolution.
J.Mol.Biol., 230, 1993
1L3V
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BU of 1l3v by Molmil
Crystal Structure of Bacillus DNA Polymerase I Fragment product complex with 15 base pairs of duplex DNA following addition of dTTP, dATP, dCTP, and dGTP residues.
Descriptor: 5'-D(*GP*AP*CP*GP*TP*AP*CP*GP*TP*GP*AP*TP*CP*GP*CP*A)-3', 5'-D(*GP*CP*GP*AP*TP*CP*AP*CP*GP*TP*AP*CP*GP*TP*C)-3', DNA Polymerase I, ...
Authors:Johnson, S.J, Taylor, J.S, Beese, L.S.
Deposit date:2002-03-01
Release date:2003-03-25
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:Processive DNA synthesis observed in a polymerase crystal suggests a mechanism for the prevention of frameshift mutations
Proc.Natl.Acad.Sci.USA, 100, 2003
1L8A
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BU of 1l8a by Molmil
E. COLI PYRUVATE DEHYDROGENASE
Descriptor: MAGNESIUM ION, Pyruvate dehydrogenase E1 component, THIAMINE DIPHOSPHATE
Authors:Furey, W, Arjunan, P.
Deposit date:2002-03-19
Release date:2002-07-24
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structure of the pyruvate dehydrogenase multienzyme complex E1 component from Escherichia coli at 1.85 A resolution.
Biochemistry, 41, 2002
1LES
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BU of 1les by Molmil
LENTIL LECTIN COMPLEXED WITH SUCROSE
Descriptor: CALCIUM ION, LENTIL LECTIN, MANGANESE (II) ION, ...
Authors:Hamelryck, T, Loris, R.
Deposit date:1995-08-23
Release date:1995-12-07
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:NMR, molecular modeling, and crystallographic studies of lentil lectin-sucrose interaction.
J.Biol.Chem., 270, 1995
1JW3
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BU of 1jw3 by Molmil
Solution Structure of Methanobacterium Thermoautotrophicum Protein 1598. Ontario Centre for Structural Proteomics target MTH1598_1_140; Northeast Structural Genomics Target TT6
Descriptor: Conserved Hypothetical Protein MTH1598
Authors:Chang, X, Connelly, G, Yee, A, Kennedy, M.A, Edwards, A.M, Arrowsmith, C.H, Northeast Structural Genomics Consortium (NESG)
Deposit date:2001-09-02
Release date:2002-02-27
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:An NMR approach to structural proteomics.
Proc.Natl.Acad.Sci.USA, 99, 2002
1JE3
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BU of 1je3 by Molmil
Solution Structure of EC005 from Escherichia coli
Descriptor: HYPOTHETICAL 8.6 KDA PROTEIN IN AMYA-FLIE INTERGENIC REGION
Authors:Yee, A, Gutierrez, P, Kozlov, G, Denisov, A, Gehring, K, Arrowsmith, C.
Deposit date:2001-06-15
Release date:2002-03-06
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:An NMR approach to structural proteomics.
Proc.Natl.Acad.Sci.USA, 99, 2002
1JW2
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BU of 1jw2 by Molmil
SOLUTION STRUCTURE OF HEMOLYSIN EXPRESSION MODULATING PROTEIN Hha FROM ESCHERICHIA COLI. Ontario Centre for Structural Proteomics target EC0308_1_72; Northeast Structural Genomics Target ET88
Descriptor: HEMOLYSIN EXPRESSION MODULATING PROTEIN Hha
Authors:Chang, X, Yee, A, Savchenko, A, Edwards, A.M, Arrowsmith, C.H, Northeast Structural Genomics Consortium (NESG)
Deposit date:2001-09-02
Release date:2002-02-27
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:An NMR approach to structural proteomics
Proc.Natl.Acad.Sci.USA, 99, 2002
1L3T
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BU of 1l3t by Molmil
Crystal Structure of Bacillus DNA Polymerase I Fragment product complex with 10 base pairs of duplex DNA following addition of a single dTTP residue
Descriptor: 5'-D(*GP*AP*CP*G*TP*AP*CP*GP*TP*GP*AP*TP*CP*GP*CP*A)-3', 5'-D(*GP*CP*GP*AP*TP*CP*AP*CP*GP*T)-3', DNA Polymerase I, ...
Authors:Johnson, S.J, Taylor, J.S, Beese, L.S.
Deposit date:2002-03-01
Release date:2003-03-25
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Processive DNA synthesis observed in a polymerase crystal suggests a mechanism for the prevention of frameshift mutations
Proc.Natl.Acad.Sci.USA, 100, 2003
1LED
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BU of 1led by Molmil
STRUCTURES OF THE LECTIN IV OF GRIFFONIA SIMPLICIFOLIA AND ITS COMPLEX WITH THE LEWIS B HUMAN BLOOD GROUP DETERMINANT AT 2.0 ANGSTROMS RESOLUTION
Descriptor: CALCIUM ION, MANGANESE (II) ION, SULFATE ION, ...
Authors:Delbaere, L, Vandonselaar, M, Quail, J.
Deposit date:1992-12-17
Release date:1994-01-31
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structures of the lectin IV of Griffonia simplicifolia and its complex with the Lewis b human blood group determinant at 2.0 A resolution.
J.Mol.Biol., 230, 1993
8DPA
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BU of 8dpa by Molmil
Crystal structure of the homodimeric AvrM14-B Nudix hydrolase effector from Melampsora lini
Descriptor: AvrM14-B, SULFATE ION
Authors:McCombe, C.L, Outram, M.A, Ericsson, D.J, Williams, S.J.
Deposit date:2022-07-15
Release date:2023-01-25
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:A rust-fungus Nudix hydrolase effector decaps mRNA in vitro and interferes with plant immune pathways.
New Phytol., 239, 2023
2QMK
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BU of 2qmk by Molmil
Human pancreatic alpha-amylase complexed with nitrite
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, NITRITE ION, ...
Authors:Williams, L.K, Maurus, R, Brayer, G.D.
Deposit date:2007-07-16
Release date:2008-03-25
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Alternative catalytic anions differentially modulate human alpha-amylase activity and specificity
Biochemistry, 47, 2008
8DP8
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BU of 8dp8 by Molmil
Crystal structure of the monomeric AvrM14-A Nudix hydrolase effector from Melampsora lini
Descriptor: AvrM14-A
Authors:McCombe, C.L, Outram, M.A, Ericsson, D.J, Williams, S.J.
Deposit date:2022-07-15
Release date:2023-01-25
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.30001 Å)
Cite:A rust-fungus Nudix hydrolase effector decaps mRNA in vitro and interferes with plant immune pathways.
New Phytol., 239, 2023
8DP9
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BU of 8dp9 by Molmil
Crystal structure of the monomeric AvrM14-B Nudix hydrolase effector from Melampsora lini
Descriptor: AvrM14-B, SULFATE ION
Authors:McCombe, C.L, Outram, M.A, Ericsson, D.J, Williams, S.J.
Deposit date:2022-07-15
Release date:2023-01-25
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:A rust-fungus Nudix hydrolase effector decaps mRNA in vitro and interferes with plant immune pathways.
New Phytol., 239, 2023
2QG2
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BU of 2qg2 by Molmil
HSP90 complexed with A917985
Descriptor: 3-({2-[(2-AMINO-6-METHYLPYRIMIDIN-4-YL)ETHYNYL]BENZYL}AMINO)-1,3-OXAZOL-2(3H)-ONE, Heat shock protein HSP 90-alpha
Authors:Park, C.H.
Deposit date:2007-06-28
Release date:2008-07-01
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Discovery and design of novel HSP90 inhibitors using multiple fragment-based design strategies.
Chem.Biol.Drug Des., 70, 2007
8EC1
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BU of 8ec1 by Molmil
5'-CGCGAATTCGCG-3' and benzimidazole diamidine (DB1476) comlpex with ligand orientation I
Descriptor: 4,4'-(1H-benzimidazole-2,6-diyl)di(benzene-1-carboximidamide), DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3'), MAGNESIUM ION
Authors:Ogbonna, E.N, Wilson, W.D.
Deposit date:2022-08-31
Release date:2023-02-22
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:X-ray Structure Characterization of the Selective Recognition of AT Base Pair Sequences.
Acs Bio Med Chem Au, 3, 2023
2QG0
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BU of 2qg0 by Molmil
HSP90 complexed with A943037
Descriptor: Heat shock protein HSP 90-alpha, N-[(2-AMINO-6-METHYLPYRIMIDIN-4-YL)METHYL]-3-{[(E)-(2-OXODIHYDROFURAN-3(2H)-YLIDENE)METHYL]AMINO}BENZENESULFONAMIDE
Authors:Park, C.H.
Deposit date:2007-06-28
Release date:2008-07-01
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Discovery and design of novel HSP90 inhibitors using multiple fragment-based design strategies.
Chem.Biol.Drug Des., 70, 2007
2QLQ
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BU of 2qlq by Molmil
Crystal structure of SRC kinase domain with covalent inhibitor RL3
Descriptor: (2E)-N-{4-[(3-bromophenyl)amino]quinazolin-6-yl}-4-(dimethylamino)but-2-enamide, Proto-oncogene tyrosine-protein kinase Src
Authors:Michalczyk, A, Rode, H.B, Gruetter, C, Rauh, D.
Deposit date:2007-07-13
Release date:2008-03-11
Last modified:2021-10-20
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:Structural insights into how irreversible inhibitors can overcome drug resistance in EGFR.
Bioorg.Med.Chem., 16, 2008
2QQR
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BU of 2qqr by Molmil
JMJD2A hybrid tudor domains
Descriptor: JmjC domain-containing histone demethylation protein 3A, SULFATE ION
Authors:Lee, J, Botuyan, M.V, Mer, G.
Deposit date:2007-07-26
Release date:2007-12-11
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Distinct binding modes specify the recognition of methylated histones H3K4 and H4K20 by JMJD2A-tudor.
Nat.Struct.Mol.Biol., 15, 2008
8ECM
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BU of 8ecm by Molmil
Crystal Structure Analysis of Acetyl-CoA acetyltransferase from Firmicutes bacterium
Descriptor: Acetyl-CoA acetyltransferase
Authors:Seo, H.S, Dhe-Paganon, S.
Deposit date:2022-09-02
Release date:2023-05-31
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Gut microbial metabolism of 5-ASA diminishes its clinical efficacy in inflammatory bowel disease.
Nat Med, 29, 2023
8EC9
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BU of 8ec9 by Molmil
Covalently stabilized triangular trimer derived from Abeta16-36 with p-iodo-phenylalanine
Descriptor: ORN-LYS-LEU-VAL-PHI-PHE-ALA-GLU-ORN-CYS-ILE-ILE-SAR-CYS-MET-VAL
Authors:Kreutzer, A.G, Yoo, S, Nowick, J.S.
Deposit date:2022-09-01
Release date:2023-05-31
Last modified:2023-06-07
Method:X-RAY DIFFRACTION (2.169 Å)
Cite:Probing differences among A beta oligomers with two triangular trimers derived from A beta.
Proc.Natl.Acad.Sci.USA, 120, 2023
8ECA
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BU of 8eca by Molmil
Covalently stabilized triangular trimer derived from Abeta16-36
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, ORN-LYS-LEU-VAL-PHE-PHE-ALA-GLU-ORN-CYS-ILE-ILE-SAR-CYS-MET
Authors:Kreutzer, A.G, Yoo, S, Nowick, J.S.
Deposit date:2022-09-01
Release date:2023-05-31
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Probing differences among A beta oligomers with two triangular trimers derived from A beta.
Proc.Natl.Acad.Sci.USA, 120, 2023
8EB9
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BU of 8eb9 by Molmil
Crystal structure of SIX8 from Fusarium oxysporum f. sp. lycopersici
Descriptor: SULFATE ION, Secreted in xylem Six8
Authors:Yu, D.S, Ericsson, D.J, Williams, S.J.
Deposit date:2022-08-30
Release date:2023-06-21
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.28 Å)
Cite:The structural repertoire of Fusarium oxysporum f. sp. lycopersici effectors revealed by experimental and computational studies.
Elife, 12, 2024
2QI8
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BU of 2qi8 by Molmil
Crystal structure of drug resistant SRC kinase domain
Descriptor: GLYCEROL, Proto-oncogene tyrosine-protein kinase Src
Authors:Michalczyk, A, Rode, H.B, Gruetter, C, Rauh, D.
Deposit date:2007-07-03
Release date:2008-03-18
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.32 Å)
Cite:Structural insights into how irreversible inhibitors can overcome drug resistance in EGFR.
Bioorg.Med.Chem., 16, 2008
8EBB
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BU of 8ebb by Molmil
Crystal structure of SIX6 from Fusarium oxysporum f. sp. lycopersici
Descriptor: D(-)-TARTARIC ACID, Secreted in xylem Six6
Authors:Yu, D.S, Ericsson, D.J, Williams, S.J.
Deposit date:2022-08-30
Release date:2023-06-21
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:The structural repertoire of Fusarium oxysporum f. sp. lycopersici effectors revealed by experimental and computational studies.
Elife, 12, 2024

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